Molecular Libraries Program » MLP Probes (OLD)

MLP Probes (OLD)

**NEW** The Probe Reports from the Molecular Libraries Program Book is now available on the NCBI Bookshelf

The Probe Report Web Table contains information on all probes released to date: Probe Report Web Table (Updated May 23, 2011)
The Upcoming Probe Reports Table contains a list of probe reports to be released shortly: Upcoming Probe Report Table (Updated May 23, 2011)

Latest Reports

The probe is able to inhibit the hydrolytic activity of the N370S mutant form of
glucocerebrosidase, as well as wild type glucocerebrosidase, in tissue homogenate assays. The probe does not inhibit purified glucocerebrosidase, but the cellular activity of the enzyme is known to be dependent on interactions with other factors, such as Saposin C. Importantly, the
probe increased glucocerebrosidase translocation to the lysosome in Gaucher patient-derived fibroblasts homozygous for the N370S mutation, and can be used to study ER-lysosomal trafficking of clinically relevant GC mutants in vitro. This probe may be a useful lead for the clinical development of a chemical chaperone of glucocerebrosidase.

We are particularly interested in identifying small molecules that can increase the level of full length SMN protein for therapeutic intervention. This can be achieved by modulating splicing, increasing the level of transcript produced, or stabilizing the SMN protein. In order to achieve this goal, we performed a high-throughput screen in a cell-based reported assay of SMN2 expression, for the purposes of discovering novel compound classes with novel mechanisms. We previously disclosed two compounds, CID 6404603 (1) and CID 990823 (2), which might be useful in this regard. The present report updates work on this second series and reports on an improved probe molecule.

This compound is able to protect cells from cytotoxicity induced by the expression of a large mutant poly-Q expansion Huntingtin (HTT) protein by inhibiting the activation of the intrinsic apoptotic pathway. This probe can be used in cellular assays and ex vivo experiments to study and inhibit the initiation of apoptosis induced by the expression of mutant, cytotoxic HTT protein. This probe will be of great interest to the scientific community that studies Huntington’s disease and other neurodegenerative diseases.

The Cdc2-like
kinases (Clk’s) and the dual-specificity tyrosine phosphorylation-regulated kinases (Dyrk’s) are two classes of enzymes that have been shown to phosphorylate specific proteins within the spliceosome; therefore, they are considered important targets for the modulation of gene splicing events. In addition to the agents reported in these reports, there is only one other reported Clk4 inhibitor, which was found to be somewhat promiscuous versus a kinase panel. Small molecule inhibitors of all 4 isoforms of the Clk family and both the Dyrk1A and Dyrk1B family, with varying selectivity profiles, will be of great utility to the study of these kinases as modulators of gene splicing, as well as other cellular events. The probe described here represents the first fully selective inhibitor of Cdc2-like kinase 4 (Clk4). This probe compound will be useful for the scientific community in unraveling the phenotype associated solely with Clk4 down-regulation without complication arising from the inhibition of related kinases. Particularly, given the reported role of the Clk family as a specific modulator of SR proteins, this probe will be useful in exploring the specific functions of Clk4 in terms of gene splicing.

The AlphallbBeta3 receptor plays a vital role in both hemostasis and thrombosis, with deficiency of the receptor leading to Glanzmann thrombasthenia, and uncontrolled activation of the receptor producing thrombosis and blood vessel occlusion in animal models and humans.1-3 Current inhibitors of this key integrin receptor include a monoclonal antibody fragment and several RGD peptide mimetics.4,5 Use of these agents can be problematic, as they engage the Beta3 subunit MIDAS metal ion and are capable of priming the receptor into an artificial activation conformation. This probe does not bind to the Beta3 subunit MIDAS metal ion as judged by molecular dynamic simulation, and will be useful for studying selective inhibition of the AlphallbBeta3 receptor.

Chagas disease is a tropical parasitic disease caused by the parasite Trypanosoma cruzi (T cruzi). Approximately 13 million people are infected with the parasite, which is endemic to Central and South America and results in 14,000 deaths per year (2, 3). Twenty-five to thirty percent of infected patients suffer from irreversible damage to the heart and digestive tract resulting in a high incidence of disability and death within 20 years of infection (1, 2). Chagas disease is the leading cause of heart failure in the region. Currently adminstered drug therapies are only active in the acute phase of infection and have unacceptable side effects. There is a clear need for more potent and selective therapies.

Known glycosidase chaperone molecules belong to the aminosugar class. Because iminosugar inhibitors work by mimicking the transition state of the glycosidic cleavage, they tend to be poorly selective. This has hampered their advance in clinical development. Alternative scaffolds with chaperone activity are quite desirable. Here, we present a new non-aminosugar series of glucocerebrosidase inhibitors having chaperone capacity. The probe is able to inhibit the hydrolytic activity of the N370S mutant form of glucocerebrosidase. Most importantly, the probe increased glucocerebrosidase translocation to the lysosome in Gaucher patient-derived fibroblasts homozygous for the N370S mutation, and can be used to study ER-lysosomal trafficking of clinically relevant GC mutants in vitro. This probe may be a useful lead for the preclinical development of a chemical chaperone of glucocerebrosidase.

Classic Galactosemia is a potentially lethal disease caused by deficient galactose-1-phosphate uridyltransferase (GALT) that results in the buildup of galactose-1-phosphate (gal-1-P) in the blood. Galactokinase (GALK) is the enzyme responsible for converting galactose into gal-1-p. A pharmacological inhibitor of GALK is therefore sought for a potential therapy for galactosemia by reducing levels of gal-1-P. The probe developed herein inhibits GALK with a potency of 1.0uM in a luminescence based biochemical assay and should be useful for studying the role of
GALK modulation in the progression of Classic Galactosemia.

Thyroid receptor (TR) regulates many homeostatic processes including basal metabolism, cardiovascular function, body weight, and lipid trafficking. TR modulators are potential therapeutics for obesity and hyperlipidemias, but current thyroid analogs have undesirable side effects, particularly cardiac stimulation. This probe is a member of a series that inhibits the interaction between the ligand-occupied TR and its coactivator, steroid receptor coregulator 2 (SRC2). This series can be used in vitro to study the mechanisms by which coactivators induce nuclear hormone receptor (NHR) activity in general, and how SRC2 activates TR in particular. Because SRC2 interacts with a number of different NHRs, including the androgen receptor (AR) and glucocorticoid receptor, TR selective inhibitors can help elucidate how SRC2 discriminates among different NHRs.

Inhibition of 15-HPGD has been implicated as a viable target for the treatment of a variety of
disorders, including dermal wound healing, bone formation and hair loss. In contrast, downregulation of HPGD has been linked to increase incidence of several cancers, implying the potential value of HPGD activators in the treatment of cancer. Probes ML147, ML148, ML149 represent an important advancement to enable research focused on the elucidation of these various processes. They will serve as useful tools for exploration of biological function and intracellular interactions of 15-PGDH.



Probe Target and Type:	Identification of Modulators of the N370S Mutant Form of Glucocerebrosidase as a Potential Therapy for Gaucher Disease (chemotype 1)
Assay Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Chemistry Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Assay Provider:	NIH Human Genome Research Institute, Dr. Ellen Sidransky
Specific Aim:
IC50/EC50:	330 nM
AntiTarget and Selectivity:	Alphaglucosidase [>100]
Chemical Probe (Pubchem Id):	85267237
Pubchem Summary BioAssay ID:	2593
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	3/24/2010



Probe Target and Type:	Identification of SMN modulators for potential SMA disease therapeutics
Assay Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Chemistry Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Assay Provider:	Elliot Androphy, University of Massachusetts Medical School
Specific Aim:
IC50/EC50:	31 nM
AntiTarget and Selectivity:	SMN1 protein expression [31]
Chemical Probe (Pubchem Id):	99367992
Pubchem Summary BioAssay ID:	1474
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	3/19/2010



Probe Target and Type:	Identification of compounds which inhibit cytotoxicity associated with the mutant Huntingtin protein expression
Assay Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Chemistry Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Assay Provider:	NIH Chemical Genomics Center, Dr. Wei Zheng
Specific Aim:
IC50/EC50:	7,940 nM
AntiTarget and Selectivity:	Q25HTT induced cytotoxicity [>10]
Chemical Probe (Pubchem Id):	89650053
Pubchem Summary BioAssay ID:	1482
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	3/30/2010



Probe Target and Type:	Highly specific inhibitors of Clk-4
Assay Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Chemistry Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Assay Provider:	Dr. Tom Misteli, NCI, NIH
Specific Aim:
IC50/EC50:	136 nM
AntiTarget and Selectivity:	Clk1, Clk2, Clk3, Dyrk1A/1 B [>10]
Chemical Probe (Pubchem Id):	90944997
Pubchem Summary BioAssay ID:	1997
Publications (PubMed Ids):	19837585
Probe Report:	Click to Download
Date Submitted:	3/29/2010



Probe Target and Type:	Inhibitors of Platelet Integrin AlphallbBeta3
Assay Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Chemistry Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Assay Provider:	Barry Coller, Rockefeller University
Specific Aim:
IC50/EC50:	1,100 nM
AntiTarget and Selectivity:	alphaVbeta3 receptor [>100]
Chemical Probe (Pubchem Id):	89449681
Pubchem Summary BioAssay ID:	2663
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	3/27/2010



Probe Target and Type:	Identification of Small-Molecule Inhibitors of Trypansoma cruzi Infection-Probe 1
Assay Center:	Stuart Schreiber, Broad Institute Probe Development Center
Chemistry Center:	Stuart Schreiber, Broad Institute Probe Development Center
Assay Provider:	Ana Rodriguez, New York University
Specific Aim:
IC50/EC50:	34 nM
AntiTarget and Selectivity:	NIH3T3 Cell Toxicity []
Chemical Probe (Pubchem Id):	87219052
Pubchem Summary BioAssay ID:	1885
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	3/26/2010



Probe Target and Type:	Identification of Small-Molecule Inhibitors of Trypansoma cruzi Infection-Probe 3
Assay Center:	Stuart Schreiber, Broad Institute Probe Development Center
Chemistry Center:	Stuart Schreiber, Broad Institute Probe Development Center
Assay Provider:	Ana Rodriguez, New York University
Specific Aim:
IC50/EC50:	109 nM
AntiTarget and Selectivity:	NIH3T3 Cell Toxicity []
Chemical Probe (Pubchem Id):	87219048
Pubchem Summary BioAssay ID:	1885
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	3/25/2010



Probe Target and Type:	Identification of Small-Molecule Inhibitors of Trypansoma cruzi Infection-Probe 2
Assay Center:	Stuart Schreiber, Broad Institute Probe Development Center
Chemistry Center:	Stuart Schreiber, Broad Institute Probe Development Center
Assay Provider:	Ana Rodriguez, New York University
Specific Aim:
IC50/EC50:	35 nM
AntiTarget and Selectivity:	NIH3T3 Cell Toxicity []
Chemical Probe (Pubchem Id):	87219036
Pubchem Summary BioAssay ID:	1885
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	3/25/2010



Probe Target and Type:	Identification of Modulators of the N370S Mutant Form of Glucocerebrosidase as a Potential Therapy for Gaucher Disease (chemotype 2)
Assay Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Chemistry Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Assay Provider:	NIH Human Genome Research Institute, Dr. Ellen Sidransky
Specific Aim:
IC50/EC50:	580 nM
AntiTarget and Selectivity:	Alphaglucosidase [>100]
Chemical Probe (Pubchem Id):	89449177
Pubchem Summary BioAssay ID:	2593
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	3/24/2010



Probe Target and Type:	Toward Improved Therapy for Classic Galactosemia
Assay Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Chemistry Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Assay Provider:	Kent Lai, University of Utah School of Medicine
Specific Aim:
IC50/EC50:	1,000 nM
AntiTarget and Selectivity:	CDP-Me [>10]
Chemical Probe (Pubchem Id):	87550830
Pubchem Summary BioAssay ID:	2114
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	3/18/2010



Probe Target and Type:	qHTS for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2
Assay Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Chemistry Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Assay Provider:	Dr. Kip Guy, St. Jude Children’s Research Hospital
Specific Aim:
IC50/EC50:	1,400 nM
AntiTarget and Selectivity:	AR-SRC2; VDR-SRC2; PPARg- DRIP [> 92; 38; > 92]
Chemical Probe (Pubchem Id):	87550851
Pubchem Summary BioAssay ID:	2512
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	3/18/2010



Probe Target and Type:	Potent and selective inhibitors of NAD+-dependent 15-hydroxyprostaglandindehydrogenase (HPGD)
Assay Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Chemistry Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Assay Provider:	Udo Oppermann, Structural Genomics Consortium, University of Oxford
Specific Aim:
IC50/EC50:	89 nM
AntiTarget and Selectivity:	HADH2; HSD17beta [>1000]
Chemical Probe (Pubchem Id):	87550716 99343743
Pubchem Summary BioAssay ID:	2407
Publications (PubMed Ids):	21072165
Probe Report:	Click to Download
Date Submitted:	3/4/2010

Previous Reports

To identify small molecule positive allosteric modulators (PAMs) and/or allosteric agonists of the M1 muscarinic acetylcholine receptor that are cell permeable, possess submicromolar potency and show greater than 10-fold selectivity over the other mAChRs (M2-M5) employing a functional HTS approach.

Compounds that selectively kill cells expressing oncogenic RAS have the potential to eliminate
tumor cells harboring specific oncogenic mutations while having minimal effects on normal cells lacking these mutations. This mode of action is known as synthetic lethality. Such synthetically lethal compounds can be used to elucidate the pathways that are involved in the oncogenesis of the mutant RAS gene whether directly in RAS-related pathways or in other pathways, such as metabolic function, that may be modulated by the activity of an oncogenic allele.

Platelet activation occurs in response to vascular injury, which triggers an array of cascading signaling events that potentiate the formation of thrombi to control bleeding. One downstream effect of activation is the secretion of granules, which plays a role in the formation of thrombi. Platelet activation inhibitors that target various surface receptors and cytosolic pathways within platelets are well validated for inhibiting thrombosis, clinically preventing adverse cardiovascular events such as intermittent claudication and stroke, and reducing mortality and morbidity in acute
myocardial infarction. These inhibitors have provided a greater understanding of the mechanisms of platelet biology. Some inhibitors are currently in use in the clinical setting or in development for the treatment of thrombotic conditions. Unfortunately, many of the characterized platelet inhibitors can cause undesired side effects in patients. None of the characterized inhibitors are known to target the granule secretion machinery.

There is a clear need to discover novel small molecule antagonists of the Neuropeptide S Receptor (NPSR) to help probe NPS/NPSR pharmacology and to validate the importance of this neurocircuitry in animal models. SHA68, a compound disclosed by Takeda Pharmaceutical Company, shows only 50% efficacy in an in vivo hyperlocomotion mouse model. An additional chemotype disclosed by Merck shows ex vivo receptor occupancy in discrete regions of the rat brain after intraperitoneal (IP) dosing. However, no small molecule has yet demonstrated robust in vivo efficacy in multiple animal models.

Alpha-synuclein is an approximately 15 KDa protein implicated in the pathogenesis of
neurodegenerative alpha-synucleinopathies (1), including Parkinson’s disease (PD), the most prevalent movement disorder in humans. In these disorders, alpha-synuclein undergoes a
conformational change and subsequent oligomerization, which causes a toxic gain of function, neurodegeneration, and deposition of alpha-synuclein aggregates in the form of Lewy bodies. Increased alpha-synuclein levels caused by gene duplication causes familial PD (2) and GATA transcription factors (3) directly regulate the PD-linked alpha-synuclein gene. In this regard, regulation of alpha-synuclein translation is physiologically relevant to Lewy body dementia brains, which exhibit lowered alpha-synuclein mRNA but higher insoluble protein. This, suggests misregulation of alpha-synuclein translation in addition to protein clearance by chaperones (3, 4). Consequently, our therapeutic strategy is to limit alpha-synuclein translation.

The main objective of this study was to identify small molecule inhibitors of NF-kappaB activity induced by NOD1.

The goal of the HTS was to identify novel and specific inhibitors of GPR35. To date, no antagonists for GPR35 are known and the goal of this project was to identify small molecules that had an IC50 of 5 uM or less in the primary GPR35 beta-arrestin HCS assay, with at least 10-fold antagonist selectivity against the related receptor GPR55.

This assay seeks to identify chemical probes that inhibit West Nile Virus (WNV) without adversely affecting the host cell.

The project goal was to identify selective inhibitory probes for modulating the GTP-binding and activity of representative members of Rho, Ras and Rab GTPase families with > 10-fold inhibitory selectivity and specific emphasis on Cdc42 vs Rac1.

The specific aim of this project is to identify subtype specific small molecule antagonists of the human kappa opioid receptor (KOR). Such antagonists have been shown to prevent reinstatement of drug taking behavior. KOR selective antagonists will enable delineation of
KOR specific signaling. Subtype selectivity is defined as selective for KOR but not active against mu (MOR) or delta (DOR) subtypes.

The specific aims of this project are to identify subtype specific small molecule agonists of the human kappa opioid (KOP) receptor. Such agonists have been shown to block cocaine self-administration. Subtype selectivity is defined as selective for KOR but not active against mu (MOR) or delta (DOR) subtypes.

The goal of the campaign was to
discover compounds with inhibitory activity against PME-1 that are selective among the serine hydrolases in mouse tissue and human cell line proteomes as assessed by gel-based ABPP.

The goal of the project is to identify and develop novel small molecule probes that inhibit streptokinase (SK) expression in group A streptococcus (GAS). SK is a major GAS virulence factor that activates human plasminogen. Novel antimicrobial agents that suppress pathogen virulence without selecting for drug resistant mutants provide a promising alternative approach for treatment of infectious diseases. Based on the critical role of SK in GAS pathogenicity, we are attempting to identify chemical compounds that specifically reduce the expression of bacterial SK, without affecting bacterial viability.

The overall goal of the project is to discover inhibitors of Kir2.1 channel with IC50 < 1 uM and selectivity versus other ion channels to provide the first Kir2.1 small molecule in vitro probe. In addition, potentiators of Kir2.1 are also desired, but it is not a goal for assay optimization. Based on our experience, we expect to identify diverse K+ channel modulators with novel mechanisms of action. Identified compounds will serve both for basic study of K+ channel physiology and as a basis for development of clinical K+ channel drugs.

The overall goal is to screen for and/or design inhibitors of caspase 1 that are potent
and selective over the 11 additional caspase isozymes.

There are no reports of selective inhibitor S1P4 antagonists in the literature and S1P4 antagonist compounds are not available. With the exception of the PubChem AIDs for this project, no S1P4 antagonist HTS efforts have been reported to date. Exhaustive search of the published literature—including US and International Patent literature—as recently as 2/23/2010, has not identified any S1P4 antagonist compounds.

The main objective of this study was to identify small molecule inhibitors of NF-kappaB activity induced by NOD1.

To identify small molecule positive allosteric modulators (PAMs) of mGluR4 and/or other group III mGluRs. Probe candidates will be highly selective versus the other seven mGluRs, and ideally be suitable for both in vitro and in vivo studies.

The overall goal is to screen against three lipoxygenase isozymes; reticulocyte 15hLO-1, epidermal 15hLO-2 and platelet 12hLO, with the aim of finding selective inhibitors specific for each isozyme.

Streptokinase (SK) is a key virulence factor for Group A Streptococcus (GAS) infection through interacting with host plasminogen (2). This project aims to take advantage of this observation and discover novel antimicrobial agents for the treatment of GAS infection.

Findings suggest repressors (inverse agonists) of RORa may be useful in treatment of metabolic disorders. The most prominent role for ROR? is regulation of immune function, especially in development of the Th17 cells that are believed to play an important role in autoimmunity. Thus, repressors (inverse agonists) of ROR? would be expected to block Th17 cell proliferation and IL-17 production.

TRPML3 (mucolipin 3; MCOLN3) is a TRP channel expressed in inner ear hair cells and stereocilia (1-3), suggesting it may play a role in hearing and mechanotransduction. The identification of probes for TRPML3 and TRPML2 would be useful to investigate the function of TRPML3 in inner ear mechanotransduction and hearing biology, as well as elucidate pathways of intracellular transport of membrane proteins.

The metallo-beta-lactamases (MBL) are zinc-dependent class B betalactamases that hydrolyze the beta-lactam ring, rendering the antibiotic ineffective. Increasingly, nosocomial betalactam
antibiotic resistance arises in P. aeruginosa, Enterobacteriaceae, and other pathogenic bacteria via gene transfer of B1 MBLs, including IMP (active on IMiPenem) and VIM (Verona IMipenemase). For two of these enzymes, VIM-2 and IMP-1, no inhibitors exist for clinical use. Thus, the identification of MBL inhibitors would provide useful tools for reducing nosocomial infections and elucidating their mechanism of action.

The goal of this project was to identify small molecule compounds that were potent and specific inhibitors of HePTP.

Wee1 is a kinase that phosphorylates the Cdk1/cyclin B complex and delays entry of cells into mitosis (M phase). The phosphatase Cdc25 counteracts Wee1 by dephosphorylating Cdk1/cyclin B. Wee1 is also a kinase substrate. As G2 progresses phosphorylated Wee1 accumulates and is recognized by E3 ubiquitin ligases and is degraded via the proteosome. Cdc25 is then able to remove the inhibitory phosphorylation on Cdk1 and mitotic entry proceeds. Thus, the goal of this probe development project was to identify small molecules that prevent mitotic entry, via a novel whole-cell HTS assay that measures Wee1-K328Mluciferase degradation.

To perform a high throughput screen of the NIH Molecular Libraries Small Molecule Repository (MLSMR) to identify novel, potent, and selective inhibitors of Mycobacterium tuberculosis cell wall biosynthetic pathway enzymes, RmlC and RmlD.

Studies showing that STAT3 is activated in breast and prostate cancers, that genetic inhibition of STAT3 reduces cell proliferation, survival, and wound healing (1-4), and that disrupting STAT3-EGFR interactions reduces tumor growth (6), suggest that STAT3 signaling has broad cellular effects. As a result, the identification of selective STAT3 modulators may provide useful tools for exploring STAT3 biology.

Studies showing that STAT3 is activated in breast and prostate cancers, that genetic inhibition of STAT3 reduces cell proliferation, survival, and wound healing (1-3), and that disrupting STAT3-EGFR interactions reduces tumor growth (4), suggest that STAT3 activation has broad cellular effects. As a result, the identification of selective STAT3 modulators may provide useful tools for exploring STAT3 biology.

The goal of the campaign was to discover compounds with inhibitory activity against RBBP9 that are selective among the serine hydrolases in mouse tissue and human cell line proteomes as assessed by gel-based ABPP.

The overall goal is to develop selective and efficient VHR inhibitors for basic research on signal transduction processes and MAP kinase regulation. For the future, this work could
also create proof-of concept evidence that VHR is a good drug target for the treatment of cervical cancer.

To identify small molecule inhibitors of Renal Outer Medullary Potassium Channel (ROMK, Kir1.1, KCNJ1), a potassium channel located in the renal tubule where it critically regulates sodium and potassium balance. There are no selective small molecule inhibitors of ROMK.

Data suggest a therapeutic strategy whereby activation of PKM2 may restore normal cellular metabolism to a state characteristic of normal differentiated cells. The goal of this project was to find pharmacological activators of PKM2 to test this theory.

The goal of this project was to generate small molecule compounds that mimic the effects of SMAC peptides, inhibiting the function of Inhibitor of Apoptosis Proteins (IAPs).

Identify small-molecule agonists of the Thyroid Stimulating Hormone Receptor.

To identify small molecule positive allosteric modulators and/or allosteric agonists of the M4 muscarinic acetylcholine receptor that are cell permeable, possess
submicromolar potency and show greater than 10-fold selectivity over the other mAChRs (M1, M2, M3 and M5) employing a functional HTS approach.

The goal of this project is to identify small molecules that impair the ribosome recruitment phase of eukaryotic translation initiation by targeting the interaction between eIF4E and eIF4G with potential for use in cancer therapy. Furthermore, these may be of use against rapamycin-resistant cancers.

In this effort, we have aimed to 1) identify specific modulators of LMNA pre-mRNA splicing; these compounds are leads in the search for drugs with therapeutic potential in HGPS and
2) identify general pre-mRNA splicing inhibitors; these compounds will be useful as experimental tools in the study of pre-mRNA splicing mechanisms.

A screen of this assay with a compound library can identify compounds that increase SMN2 levels by three mechanisms: modulating alternative splicing of SMN exon 7, increasing transcription from the SMN2 promoter, or stabilizing the SMN protein.

To identify novel inhibitors of tau fibrillization.

The goal of this project was to evaluate this technology and screen the MLPCN’s compound collection (the MLSMR) to identify novel cell-membrane permeable inhibitors of the ERK signaling pathway.

In this study we investigated small molecule compounds that mimicked the effect of SMAC in antagonizing IAPs by causing them to release Caspases.

Based on the multi-component regulation of TRAIL-mediated apoptotic signaling we believe that by employing high throughput screening (HTS) techniques we will identify
BCCG CPR TRAIL CID3380841 Page 3 of 17 Template H chemical hits and develop them into research tools and, ultimately, drugs that will efficiently, specifically, and safely sensitize different tumor cell lines to TRAIL-induced apoptosis.

Recent studies have mainly been focused on the identification of GTPase inhibitors.
To our knowledge, small molecule activators of low molecule weight GTPases, with the possible
exception of aluminum tetrafluoride which activates the GDP bound form are unknown.

We proposed that CDG-Ia patients will benefit from dietary mannose if we simultaneously reduce PMI activity with a non-competitive or un-competitive inhibitor. This would allow a modest intracellular accumulation of Man-6-P and drive metabolic flux into the glycosylation pathway using the residual PMM2 activity.

the identification of PLAP-specific inhibitors with selectivity over tissue non-specific alkaline phosphatase (TNAP) and intestinal alkaline phosphatase (IAP) will provide the necessary tools to characterize its biological role. Currently, inhibitors of PLAP lack either potency or selectivity.

The overall goal is to screen against three lipoxygenase isozymes; reticulocyte 15hLO-1, epidermal 15hLO-2 and platelet 12hLO, with the aim of finding selective inhibitors specific for each isozyme.

Using the cruzain enzymatic assay as a model screening system of an enzyme carrying a reactive cysteine catalytic residue, we attempt to profile the MLSMR collection with respect to several sources of false-positive or promiscuous types of inhibition: compound autofluorescence (1), colloidal aggregation (2), and reactive compounds.

We aim to discover and develop novel cruzain inhibitors to ultimately aid in the development of antitrypanosomal agents.

The identification of potent, selective inhibitors of Nox1 may lead to potential candidates for excess cell proliferation, cancer, and IBD. The known Nox inhibitors are of low micromolar potencies and are non-selective.

To develop novel phosphomannose isomerase (PMI) inhibitors for further characterization and therapeutics of Congenital Disorders of Glycosylation (CDG).

The specific aims of this project were to identify small molecule compounds in the MLSMR that were highly specific activators of TNAP using a luminescence-based assay; test the confirmed positives in a secondary assay with natural substrates of TNAP, check for specificity against other recombinant phosphatases and test confirmed positives for their ability to increase calcification in osteoblast cultures. The novel chemical probes identified in this way may ultimately lead to a novel therapy for osteoporosis patients.

The main aim of this project was to screen large comprehensive chemical libraries to identify lead compounds for PHOSPHO1-specific inhibitors that will enable the elucidation of the functional involvement of this enzyme in skeletal mineralization and related biological phenomena.

The identification of PLAP-specific inhibitors with selectivity over tissue non-specific alkaline phosphatase (TNAP) and intestinal alkaline phosphatase (IAP) will provide the necessary tools to characterize its biological role.

The goal is to identify chemical probes affecting lipid storage regulation.

We aimed to discover and optimize selective modulators of human pyruvate kinase M2 (hPK-M2), a splice isoform of pyruvate kinase that is specifically expressed in tumor cells.

The identification of compounds that selectively inhibit RBBP9 activity may provide valuable probes for the study of apoptosis, cell cycle, and tumorigenesis.

The identification of probes that selectively target p97 activity may provide insights into the biological roles of P97.

The goal of this project is to identify antagonists for neuropeptide S receptor as research probes to further study the functions of NPS receptor in animal models.

The long-term goal of this project is to identify a specific, selective inhibitor compound for the deubiquitinating activity of BAP1, a BRCA1 associated deubiquitinating enzyme.

To identify small molecule ligands (both agonists and antagonists) of the neuronal K-Cl cotransporter KCC2.

The specific aim of this project was to identify small molecule binders that would modulate/alter the function of DnaK by specifically interacting with its substrate-binding domain (SBD).

to produce brain penetrant, high affinity selective ligands for the Y2 receptor.

To identify small molecule agonists of M1 muscarinic receptor that are cell permeable, exhibit submicromolar potency, and show greater than 10 fold selectivity over other muscarinic family members M2, M3, M4 and M5.

To identify novel tumor Hsp90 inhibitors with potential for use in cancer therapy and in the treatment of neurodegenerative diseases.

To identify inhibitors of the protein-protein interaction between tumor suppressor BRCT and phosphoproteins.

Identify small-molecule modulators of Beta-Globin splicing by high throughput screening of chemical libraries.

Identify small-molecule agonists of the Thyroid Stimulating Hormone Receptor.

Identify small-molecule modulators of cellular epigenetic pathways

To develop chemical probes that stabilize human I-kappa-B-alpa using a two color luciferase-based cell assay.

1. Transfer and run the HTS assay for the DNA polymerase III Holoenzyme (Pol III HE) from the representative Gram (-) model organism E. coli. 2. Prioritize compounds identified via HTS of the MLSCN library for further chemical optimization and development.

Heat shock protein 90 (Hsp90) is the essential molecular chaperone which regulates a variety of cellular functions including development, cell cycle, and steroid hormone signaling. The disruption of interaction between the C-terminal portion of Hsp90 and TPR2A domain of HOP may regulate the Hsp90 functions.

Identify ligands capable of binding amyloidgenic tau conformations with high affinity.

To identify specific probes that inhibit the MK enzyme, the first of three enzymes in the mevalonate pathway of S. pneumoniae.

To identify specific probes that inhibit the Mycobacterium tuberculosis pantothenate synthetase enzyme for X-ray crystallographic studies

Identify compounds which provide insight into the molecular mechanism of S1P biological function.

To identify small molecule chemical probes that bind to Bcl-B within its TR3-binding site.

1. To screen libraries of small molecules in a high throughput fluorescence-based screening assay to identify compounds capable of suppressing pheromone-dependent activation of the promoter for a global regulator of Staphylococcus aureus virulence, RNAIII. 2. To confirm that the compounds that inhibit RNAIII promoter activation also inhibit expression of the virulence genes that are regulated by RNAIII.

1. To screen for small molecules that modulate prostate cell differentiation, using HyperCyt® high throughput (HT) flow cytometry. 2. To counter-screen active compounds identified in the primary and confirmatory screens in LNCaP cells in a similar dose response assay using PC-3 cells to identify small molecules that induce intracellular granularity in an androgen-independent manner.

To identify small molecule ligands specific for GPR30 or the classical estrogen receptors (ERalpha and ERBeta).

The specific aim of this proposal is to optimize a duplex fluorescent ligand binding assay that integrates
the two assays so as to enable simultaneous high throughput screening of both receptors. This assay will
be submitted for use in screening of the Small Molecule Repository to detect compounds that selectively
bind FPR and FPRL1.

Identify small-molecule probes directed against the human formylpeptide receptor (FPR), a G-protein coupled receptor implicated in anti-bacterial inflammatory responses and malignant glioma metastasis.

Identify small-molecule probes directed against the human formylpeptide receptor-like-1 (FPRL1), a G-protein coupled receptor implicated in anti-bacterial inflammatory responses and malignant glioma metastasis.

To design potent, specific, and novel Ruthenium-based small-molecule inhibitors of the protein kinase TrkA.

To discover modifiers of pathways responsible for clearance of mutant Huntingtin protein.

To identify small molecule inhibitors of PKD

1. Screen MLSCN compound libraries for inhibitors of the polo box domain of polo-like kinase-1 (Plk-1-PBD) using a high throughput-ready fluorescence polarization (FP) assay. 2. Follow up primary screen of PBD inhibitors with secondary biochemical and cell based assays to confirm hits.

To identify chemical probes of Bfl-1 through a fluorescence polarization assay (FPA) using FITC-Bid BH3 peptide.

To identify small molecule antagonists that inhibit the binding of EphA4 to the KYL peptide which interacts with high affinity to the ephrin-binding site of EphA4.

To identify novel highly potent and selective inhibitors of TNAP which to date have not been available.

To identify inhibitors of intestinal alkaline phosphatase (IAP) that show selectivity for the target over the other alkaline phosphatase isozymes (PLAP, TNAP).

To identify compounds that selectively inhibit cell death induced by endoplasmic reticulum (ER) stress in mammalian cells.

To perform a high throughput screen of the NIH Molecular Libraries Small Molecule Repository (MLSMR) to identify novel, potent, and selective inhibitors of human cathepsin L.

To identify specific compounds that inhibit signaling mediated by NF?B after stimulation of human umbilical vein endothelial cells (HUVEC) by TNFalpha

To identify selective chemical inhibitors of MMP-8

To identify selective chemical inhibitors of MMP-13

To identify specific agonists of the S1P2 receptor

Identify small molecules modulators of PDEs (specifically PDE4) which are likely to be strong regulators of CREB signaling.

To identify compounds that selectively inhibit one of the several known pathways that lead to NF-kB activation in mammalian cells.

To identify novel highly potent and selective inhibitors of TNAP which to date have not been available.

To identify selective exosite/active site inhibitors of A Disintegrin and metalloproteinase with thrombospondin motifs-4 (ADAMTS-4)

To identify novel inhibitors (both covalent and non-covalent) of the AmpC B-lactamase enzyme class.

Identify drug-like small molecule inhibitors of the NS3 West Nile virus protease by high throughput screening of chemical libraries.

To perform a high throughput screen of the NIH Molecular Libraries Small Molecule Repository (MLSMR) to identify novel, potent, and selective inhibitors of human cathepsin L.

Identify novel chemical probes that target FKBP12

To identify inhibitors of TLR4 signaling

1. To identify novel MV-specific probes through high throughput screening (HTS) of the MLSCN library. 2. To counterscreen putative probes in independent assays and rank confirmed hits by active concentration and cytotoxicit. 3. To determine the specificity of selected probes and assess their mechanisms of antiviral activity

To identify selective cell-permeable inhibitors of the steroidogenic factor 1

To identify modular, chemically tractable, selective, and cell-permeable inverse agonists of the nuclear receptor RAR.

To identify selective cell-permeable inhibitors of the steroidogenic factor 1 (orphan nuclear receptor NR5A1)

To identify small-molecule inhibitors of HIV reverse transcriptase associated ribonuclease H (HIV RT RNH).

To discover novel angiogenesis inhibitors using live zebrafish embryos.

To find potent inhibitors for Rho-Kinase. “Kinase-Glo”, an ATP depletion assay was used to find inhibitors that are specific to the ATP binding site.

Identify small molecular potentiators of the CREB pathway for memory and cognitive disorders using quantitative high throughput screening (qHTS).

To identify small molecule modulators of M1 muscarinic receptor that are cell permeable, exhibit micromolar potency, and show greater than 10 fold selectivity over other muscarinic family members M2, M3, M4 and M5.

To identify small molecule modulators of KvBeta that are cell permeable and have a Km sufficient for in vitro cellular physiology assays.

Identification of inhibitors of glucocerebrosidase that may function as molecular chaperones to restore glucocerebrosidase activity.

Identify compounds which provide insight into the molecular mechanism of S1P biological function.

Since no parasite-specific inhibitors of Prx are currently available, our overall goals can be summarized as: The identification of inhibitors of Schistosoma mansoni peroxiredoxins by conducting a high throughput screen of the Small Molecule Repository of the Molecular Libraries Screening Centers Network.

The research has two specific aims: 1) to engineer inhibitors for bacterial pyruvate kinases as leads for anti-infective agents. 2) To use structure-based, analogue synthesis and medicinal chemical principles to identify inhibitors of therapeutically useful PKs from infectious pathogens and other species including human where inhibitors have been considerably more difficult to obtain.



Probe Target and Type:	Discovery and development of a second highly selective M1 Positive Allosteric Modulator (PAM).
Assay Center:	C. David Weaver, Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters
Chemistry Center:	Craig W. Lindsley, Vanderbilt Specialized Chemistry Center for Accelerated Probe Development
Assay Provider:	P. Jeffrey Conn, Vanderbilt University
Specific Aim:
IC50/EC50:	1,380 nM
AntiTarget and Selectivity:	M2, M3, M4, M5 [>30]
Chemical Probe (Pubchem Id):	85756541
Pubchem Summary BioAssay ID:	2543
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	3/31/2010



Probe Target and Type:	Screen for RAS-Selective Lethal Compounds and VDAC Ligands
Assay Center:	Stuart Schreiber, Broad Institute Probe Development Center
Chemistry Center:	Stuart Schreiber, Broad Institute Probe Development Center
Assay Provider:	Brent R. Stockwell, Howard Hughes Medical Institute, Columbia University
Specific Aim:
IC50/EC50:	25 nM
AntiTarget and Selectivity:	BJeH-LT (w/o HRASV12) [23]
Chemical Probe (Pubchem Id):	87692475
Pubchem Summary BioAssay ID:	1674
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	3/26/2010



Probe Target and Type:	Chemical Genetic Analysis of Platelet Granule Secretion-Probe 3
Assay Center:	Stuart Schreiber, Broad Institute Probe Development Center
Chemistry Center:	Stuart Schreiber, Broad Institute Probe Development Center
Assay Provider:	Robert Flaumenhaft, Beth Israel Deaconess Medical Center, Boston, MA
Specific Aim:
IC50/EC50:	11,200 nM
AntiTarget and Selectivity:	Luciferase [10]
Chemical Probe (Pubchem Id):	87457110
Pubchem Summary BioAssay ID:	1678
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	3/25/2010



Probe Target and Type:	Chemical Genetic Analysis of Platelet Granule Secretion-Probe 2
Assay Center:	Stuart Schreiber, Broad Institute Probe Development Center
Chemistry Center:	Stuart Schreiber, Broad Institute Probe Development Center
Assay Provider:	Robert Flaumenhaft, Beth Israel Deaconess Medical Center, Boston, MA
Specific Aim:
IC50/EC50:	361 nM
AntiTarget and Selectivity:	Luciferase [310]
Chemical Probe (Pubchem Id):	87556782
Pubchem Summary BioAssay ID:	1678
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	3/25/2010



Probe Target and Type:	Chemical Genetic Analysis of Platelet Granule Secretion-Probe 1
Assay Center:	Stuart Schreiber, Broad Institute Probe Development Center
Chemistry Center:	Stuart Schreiber, Broad Institute Probe Development Center
Assay Provider:	Robert Flaumenhaft, Beth Israel Deaconess Medical Center, Boston, MA
Specific Aim:
IC50/EC50:	12,262 nM
AntiTarget and Selectivity:	Luciferase [9]
Chemical Probe (Pubchem Id):	87235625 91148452
Pubchem Summary BioAssay ID:	1678
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	3/25/2010



Probe Target and Type:	Identification of Small Molecule Antagonists of the Neuropeptide-S Receptor
Assay Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Chemistry Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Assay Provider:	Markus Heilig, National Institute on Alcohol Abuse and Alcoholism
Specific Aim:
IC50/EC50:	1 nM
AntiTarget and Selectivity:	V1B Vasopressin Receptor [> 100]
Chemical Probe (Pubchem Id):	87796314
Pubchem Summary BioAssay ID:	1464
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	3/19/2010



Probe Target and Type:	Identification of a small molecule that selectively inhibits alpha-synuclein translational expression
Assay Center:	Stuart Schreiber, Broad Institute Probe Development Center
Chemistry Center:	Stuart Schreiber, Broad Institute Probe Development Center
Assay Provider:	Jack Rogers, PhD. Massachusetts General Hospital
Specific Aim:
IC50/EC50:	1,800 nM
AntiTarget and Selectivity:	Prion 5′-UTR []
Chemical Probe (Pubchem Id):	87218804
Pubchem Summary BioAssay ID:	1827
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	3/9/2010



Probe Target and Type:	High Throughput Screening Assays for NOD1 Inhibitors (probe 2)
Assay Center:	John Reed, Burnham Center for Chemical Genomics
Chemistry Center:	John Reed, Burnham Center for Chemical Genomics
Assay Provider:	Dr John C Reed & Burnham Institute for Medical Research
Specific Aim:
IC50/EC50:	1,536 nM
AntiTarget and Selectivity:	NOD2, TNFalpha [>8]
Chemical Probe (Pubchem Id):	87225488
Pubchem Summary BioAssay ID:	1575
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	2/28/2010



Probe Target and Type:	Antagonists for the Orphan Receptor GPR35
Assay Center:	John Reed, Burnham Center for Chemical Genomics
Chemistry Center:	John Reed, Burnham Center for Chemical Genomics
Assay Provider:	Lawrence S. Barak, Duke University Medical Center
Specific Aim:
IC50/EC50:	20.1 nM
AntiTarget and Selectivity:	GPR55 [1,150]
Chemical Probe (Pubchem Id):	87544499
Pubchem Summary BioAssay ID:	2079
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	2/28/2010



Probe Target and Type:	A Cell Based Assay for the Identification of Lead Compounds with Anti-Viral Activity Against West Nile Virus
Assay Center:	Colleen Jonsson, Southern Research Specialized Biocontainment Screening Center
Chemistry Center:	John Reed, Burnham Center for Chemical Genomics
Assay Provider:	Marintha Heil, Southern Research Institute
Specific Aim:
IC50/EC50:	15,460 nM
AntiTarget and Selectivity:	Cytotoxicity [>6.5]
Chemical Probe (Pubchem Id):	85248337
Pubchem Summary BioAssay ID:	1635
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	2/27/2010



Probe Target and Type:	A Potent and Selective Inhibitor of Cdc42 GTPase
Assay Center:	Larry Sklar, New Mexico Molecular Libraries Screening Center
Chemistry Center:	Jeffrey Aube, Kansas Specialized Chemistry Center
Assay Provider:	Angela Wandinger-Ness, UNM
Specific Aim:
IC50/EC50:	2,600 nM
AntiTarget and Selectivity:	glutathione S-transferase [>50]
Chemical Probe (Pubchem Id):	57578341
Pubchem Summary BioAssay ID:	1772
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	2/27/2010



Probe Target and Type:	Selective KOP Receptor antagonists
Assay Center:	John Reed, Burnham Center for Chemical Genomics
Chemistry Center:	Jeffrey Aube, Kansas Specialized Chemistry Center
Assay Provider:	Lawrence Barak, Duke University Medical Center
Specific Aim:
IC50/EC50:	850 nM
AntiTarget and Selectivity:	MOR, DOR [>40]
Chemical Probe (Pubchem Id):	87218794
Pubchem Summary BioAssay ID:	1785
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	2/27/2010



Probe Target and Type:	Selective KOP Receptor agonists
Assay Center:	John Reed, Burnham Center for Chemical Genomics
Chemistry Center:	Jeffrey Aube, Kansas Specialized Chemistry Center
Assay Provider:	Lawrence Barak, Duke University Medical Center
Specific Aim:
IC50/EC50:	120 nM
AntiTarget and Selectivity:	MOR, DOR [>270]
Chemical Probe (Pubchem Id):	87218782
Pubchem Summary BioAssay ID:	1786
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	2/27/2010



Probe Target and Type:	Discovery and development of the a highly selective M1 Positive Allosteric Modulator (PAM)
Assay Center:	C. David Weaver, Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters
Chemistry Center:	Craig W. Lindsley, Vanderbilt Specialized Chemistry Center for Accelerated Probe Development
Assay Provider:	P. Jeffrey Conn, Vanderbilt University
Specific Aim:
IC50/EC50:	830 nM
AntiTarget and Selectivity:	M2, M3, M4, M5 [>30]
Chemical Probe (Pubchem Id):	8528605
Pubchem Summary BioAssay ID:	2543
Publications (PubMed Ids):	20156687
Probe Report:	Click to Download
Date Submitted:	2/26/2010



Probe Target and Type:	Probe Report for PME-1 Inhibitors
Assay Center:	Hugh Rosen, The Scripps Research Institute Molecular Libraries Screening Center
Chemistry Center:	Hugh Rosen, The Scripps Research Institute Molecular Libraries Screening Center
Assay Provider:	Ben Cravatt, TSRI
Specific Aim:
IC50/EC50:	500 nM
AntiTarget and Selectivity:	>30 serine hydrolases [>100]
Chemical Probe (Pubchem Id):	87457340
Pubchem Summary BioAssay ID:	2143
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	2/26/2010



Probe Target and Type:	Identification of small molecules that selectively inhibit streptokinase expression without suppression of viability in Group A streptococci (chemotype 3)
Assay Center:	Stuart Schreiber, Broad Institute Probe Development Center
Chemistry Center:	Stuart Schreiber, Broad Institute Probe Development Center
Assay Provider:	Hongmin Sun, PhD. University of Missouri, Columbia
Specific Aim:
IC50/EC50:	2,500 nM
AntiTarget and Selectivity:	Bacterial cell viability [inactive]
Chemical Probe (Pubchem Id):	85281146
Pubchem Summary BioAssay ID:	1677
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	2/26/2010



Probe Target and Type:	Identification of small molecules that selectively inhibit streptokinase expression without suppression of viability in Group A streptococci (chemotype 2)
Assay Center:	Stuart Schreiber, Broad Institute Probe Development Center
Chemistry Center:	Stuart Schreiber, Broad Institute Probe Development Center
Assay Provider:	Hongmin Sun, PhD. University of Missouri, Columbia
Specific Aim:
IC50/EC50:	5,200 nM
AntiTarget and Selectivity:	Bacterial cell viability [inactive]
Chemical Probe (Pubchem Id):	85281155
Pubchem Summary BioAssay ID:	1677
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	2/26/2010



Probe Target and Type:	A potent and selective small molecule Kir2.1 inhibitor
Assay Center:	Min Li, Johns Hopkins Ion Channel Center
Chemistry Center:	Craig W. Lindsley, Vanderbilt Specialized Chemistry Center for Accelerated Probe Development
Assay Provider:	Elena Makhina, University of Pittsburgh
Specific Aim:
IC50/EC50:	284 nM
AntiTarget and Selectivity:	ROMK [100]
Chemical Probe (Pubchem Id):	87457855 85281105
Pubchem Summary BioAssay ID:	1843
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	2/26/2010



Probe Target and Type:	A small molecule inhibitor of Caspase 1.
Assay Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Chemistry Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Assay Provider:	Jim Wells, University of California at San Francisco
Specific Aim:
IC50/EC50:	0.023 nM
AntiTarget and Selectivity:	9 Caspase panel [>100]
Chemical Probe (Pubchem Id):	87544173
Pubchem Summary BioAssay ID:	2389
Publications (PubMed Ids):	20229566
Probe Report:	Click to Download
Date Submitted:	2/25/2010



Probe Target and Type:	Selective Novel Chemical and Immunological Approaches to Influenza Therapy: S1P4 Antagonist
Assay Center:	Hugh Rosen, The Scripps Research Institute Molecular Libraries Screening Center
Chemistry Center:	Hugh Rosen, The Scripps Research Institute Molecular Libraries Screening Center
Assay Provider:	Michael Oldstone, TSRI
Specific Aim:
IC50/EC50:	89 nM
AntiTarget and Selectivity:	S1P1 [>275]
Chemical Probe (Pubchem Id):	87357351
Pubchem Summary BioAssay ID:	1853
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	2/24/2010



Probe Target and Type:	High Throughput Screening Assays for NOD1 Inhibitors (probe 1)
Assay Center:	John Reed, Burnham Center for Chemical Genomics
Chemistry Center:	John Reed, Burnham Center for Chemical Genomics
Assay Provider:	Dr John C Reed & Burnham Institute for Medical Research
Specific Aim:
IC50/EC50:	747 nM
AntiTarget and Selectivity:	NOD2, TNFalpha [>39]
Chemical Probe (Pubchem Id):	85248360
Pubchem Summary BioAssay ID:	1575
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	1/23/2010



Probe Target and Type:	Discovery of the first mAChR 5 (M5) selective ligand, an M5 Positive Allosteric Modulator (PAM)
Assay Center:	C. David Weaver, Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters
Chemistry Center:	Craig W. Lindsley, Vanderbilt Specialized Chemistry Center for Accelerated Probe Development
Assay Provider:	P. Jeffrey Conn, Vanderbilt University
Specific Aim:
IC50/EC50:	1,100 nM
AntiTarget and Selectivity:	M1, M2, M3, M4 [>30]
Chemical Probe (Pubchem Id):	85285486
Pubchem Summary BioAssay ID:	2416
Publications (PubMed Ids):	19438238
Probe Report:	Click to Download
Date Submitted:	12/18/2009



Probe Target and Type:	Discovery of a potent, selective and in vivo active mGluR4 positive allosteric modulator
Assay Center:	C. David Weaver, Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters
Chemistry Center:	Craig W. Lindsley, Vanderbilt Specialized Chemistry Center for Accelerated Probe Development
Assay Provider:	Colleen M. Niswender, Vanderbilt University
Specific Aim:
IC50/EC50:	240 (human), 110 (rat) nM
AntiTarget and Selectivity:	mGluRs 1, 2, 3, 5, 7, 8 [>50]
Chemical Probe (Pubchem Id):	85240643
Pubchem Summary BioAssay ID:	2437
Publications (PubMed Ids):	19469556
Probe Report:	Click to Download
Date Submitted:	12/18/2009



Probe Target and Type:	Selective Small Molecule Inhibitors of 12-human lipoxygenase (12hLO)
Assay Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Chemistry Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Assay Provider:	Holman, T.R., University of California, Santa Cruz
Specific Aim:
IC50/EC50:	1,000 nM
AntiTarget and Selectivity:	15hLO-1 [100]
Chemical Probe (Pubchem Id):	85736374
Pubchem Summary BioAssay ID:	2164
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	11/30/2009



Probe Target and Type:	Identification of small molecules that selectively inhibit streptokinase expression without suppression of viability in Group A streptococci (probe 1)
Assay Center:	Stuart Schreiber, Broad Institute Probe Development Center
Chemistry Center:	Stuart Schreiber, Broad Institute Probe Development Center
Assay Provider:	Hongmin Sun, PhD. University of Missouri, Columbia
Specific Aim:
IC50/EC50:	3600 nM
AntiTarget and Selectivity:	Bacterial cell viability [3.6 uM vs inactive]
Chemical Probe (Pubchem Id):	85281160
Pubchem Summary BioAssay ID:	1677
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	11/16/2009



Probe Target and Type:	Campaign to identify novel modulators of the Retinoic acid receptor-related Orphan Receptors (ROR).
Assay Center:	Hugh Rosen, The Scripps Research Institute Molecular Libraries Screening Center
Chemistry Center:	Hugh Rosen, The Scripps Research Institute Molecular Libraries Screening Center
Assay Provider:	Patrick Griffin, TSRI
Specific Aim:
IC50/EC50:	1,730 nM
AntiTarget and Selectivity:	VP16 [inactive at 10 uM]
Chemical Probe (Pubchem Id):	85257301
Pubchem Summary BioAssay ID:	2139
Publications (PubMed Ids):	19887649
Probe Report:	Click to Download
Date Submitted:	11/13/2009



Probe Target and Type:	Campaign to Identify Agonists of the Transient Receptor Potential Channels 3 and 2 (TRPML3 and TRPML2)
Assay Center:	Hugh Rosen, The Scripps Research Institute Molecular Libraries Screening Center
Chemistry Center:	Hugh Rosen, The Scripps Research Institute Molecular Libraries Screening Center
Assay Provider:	Stefan Heller, Stanford University
Specific Aim:
IC50/EC50:	873 nM
AntiTarget and Selectivity:	TRPN1 [34]
Chemical Probe (Pubchem Id):	24801657
Pubchem Summary BioAssay ID:	1809
Publications (PubMed Ids):	20189104
Probe Report:	Click to Download
Date Submitted:	11/13/2009



Probe Target and Type:	HTS Assay for discovery of novel beta-lactamase (BLA) inhibitors via click chemistry
Assay Center:	Hugh Rosen, The Scripps Research Institute Molecular Libraries Screening Center
Chemistry Center:	Hugh Rosen, The Scripps Research Institute Molecular Libraries Screening Center
Assay Provider:	Peter Hodder, TSRI
Specific Aim:
IC50/EC50:	223 nM
AntiTarget and Selectivity:	IMP-1 [269]
Chemical Probe (Pubchem Id):	24790728 85856282
Pubchem Summary BioAssay ID:	1854
Publications (PubMed Ids):	19553129
Probe Report:	Click to Download
Date Submitted:	11/13/2009



Probe Target and Type:	HTS for HePTP Inhibitors – a Leukemia Target
Assay Center:	John Reed, Burnham Center for Chemical Genomics
Chemistry Center:	John Reed, Burnham Center for Chemical Genomics
Assay Provider:	Dr Tomas Mustelin w/Dr Lutz Tautz & Burnham Institute for Medical Research
Specific Aim:
IC50/EC50:	1800 nM
AntiTarget and Selectivity:	VHR1, MKP-3 [4.3, 11]
Chemical Probe (Pubchem Id):	85176630
Pubchem Summary BioAssay ID:	2085
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	11/1/2009



Probe Target and Type:	HTS for HePTP Inhibitors – a Leukemia Target
Assay Center:	John Reed, Burnham Center for Chemical Genomics
Chemistry Center:	John Reed, Burnham Center for Chemical Genomics
Assay Provider:	Dr Tomas Mustelin w/Dr Lutz Tautz & Burnham Institute for Medical Research
Specific Aim:
IC50/EC50:	235 nM
AntiTarget and Selectivity:	VHR1, MKP-3 [5, 21]
Chemical Probe (Pubchem Id):	26514203
Pubchem Summary BioAssay ID:	2085
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	11/1/2009



Probe Target and Type:	Small Molecule Inhibitors of Wee1 Degradation and Mitotic Entry
Assay Center:	Hugh Rosen, The Scripps Research Institute Molecular Libraries Screening Center
Chemistry Center:	Hugh Rosen, The Scripps Research Institute Molecular Libraries Screening Center
Assay Provider:	Nagi Ayad, The Scripps Research Institute
Specific Aim:
IC50/EC50:	7,870 nM
AntiTarget and Selectivity:	cyclin B [>6.3]
Chemical Probe (Pubchem Id):	87235992
Pubchem Summary BioAssay ID:	1807
Publications (PubMed Ids):	20660794
Probe Report:	Click to Download
Date Submitted:	8/14/2009



Probe Target and Type:	HTS of TB RmlC & RmlD dTDP-Rhamnose Formation Enzymes
Assay Center:	Scott Diamond, Penn Center for Molecular Discovery
Chemistry Center:	Scott Diamond, Penn Center for Molecular Discovery
Assay Provider:	Michael McNeil, Colorado State University
Specific Aim:
IC50/EC50:	398 nM
AntiTarget and Selectivity:	Unavailable (see probe report for details)
Chemical Probe (Pubchem Id):	7975595
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	9/29/2009



Probe Target and Type:	Modulators of STAT Transcription Factors for the Targeted Therapy of Cancer (STAT3 Inhibitors)
Assay Center:	Hugh Rosen, The Scripps Research Institute Molecular Libraries Screening Center
Chemistry Center:	Hugh Rosen, The Scripps Research Institute Molecular Libraries Screening Center
Assay Provider:	David Frank, Dana Farber Cancer Institute
Specific Aim:
IC50/EC50:	4,200 nM
AntiTarget and Selectivity:	STAT1 [STAT3 selective]
Chemical Probe (Pubchem Id):	24825594 87326012
Pubchem Summary BioAssay ID:	1806
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	8/28/2009



Probe Target and Type:	Modulators of STAT Transcription Factors for the Targeted Therapy of Cancer (STAT3 Activators)
Assay Center:	Hugh Rosen, The Scripps Research Institute Molecular Libraries Screening Center
Chemistry Center:	Hugh Rosen, The Scripps Research Institute Molecular Libraries Screening Center
Assay Provider:	David Frank, Dana Farber Cancer Institute
Specific Aim:
IC50/EC50:	2 nM
AntiTarget and Selectivity:	STAT1 [>28,000]
Chemical Probe (Pubchem Id):	14735210 87334054
Pubchem Summary BioAssay ID:	1805
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	8/27/2009



Probe Target and Type:	Probe Report for RBBP9 Inhibitors
Assay Center:	Hugh Rosen, The Scripps Research Institute Molecular Libraries Screening Center
Chemistry Center:	Hugh Rosen, The Scripps Research Institute Molecular Libraries Screening Center
Assay Provider:	Ben Cravatt, TSRI
Specific Aim:
IC50/EC50:	630 nM
AntiTarget and Selectivity:	>30 serine hydrolases [>100]
Chemical Probe (Pubchem Id):	85098567
Pubchem Summary BioAssay ID:	1790
Publications (PubMed Ids):	19329999
Probe Report:	Click to Download
Date Submitted:	8/20/2009



Probe Target and Type:	Small-Molecule Inhibitors of Vaccinia-H1-Related Phosphatase VHR
Assay Center:	John Reed, Burnham Center for Chemical Genomics
Chemistry Center:	John Reed, Burnham Center for Chemical Genomics
Assay Provider:	Lutz Tautz & Burnham Institute for Medical Research
Specific Aim:
IC50/EC50:	18 nM
AntiTarget and Selectivity:	MKP-1 [25.6]
Chemical Probe (Pubchem Id):	85256223
Pubchem Summary BioAssay ID:	1661
Publications (PubMed Ids):	19888758
Probe Report:	Click to Download
Date Submitted:	10/31/2009



Probe Target and Type:	Discovery of a small molecule inhibitor of ROMK with unprecedented selectivity
Assay Center:	David Weaver, Vanderbilt Screening Center for GPCRs, Ion Channels & Transporters
Chemistry Center:	Craig Lindsley, Vanderbilt Specialized Chemistry Center for Accelerated Probe Development
Assay Provider:	Jerod S. Denton, Vanderbilt University
Specific Aim:
IC50/EC50:	220 nM
AntiTarget and Selectivity:	Kir2.1, Kir4.1, Kir7.1, Kir2.3 [>50]
Chemical Probe (Pubchem Id):	84975340
Pubchem Summary BioAssay ID:	2436
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	9/1/2009



Probe Target and Type:	Discovery of a small molecule inhibitor of ROMK and Kir7.1
Assay Center:	David Weaver, Vanderbilt Screening Center for GPCRs, Ion Channels & Transporters
Chemistry Center:	Craig Lindsley, Vanderbilt Specialized Chemistry Center for Accelerated Probe Development
Assay Provider:	Jerod S. Denton, Vanderbilt University
Specific Aim:
IC50/EC50:	294 nM
AntiTarget and Selectivity:	Kir2.1, Kir4.1 [>30]
Chemical Probe (Pubchem Id):	84975334
Pubchem Summary BioAssay ID:	2436
Publications (PubMed Ids):	19706730
Probe Report:	Click to Download
Date Submitted:	9/1/2009



Probe Target and Type:	Identification of activators for the M2 Isoform of human Pyruvate Kinase
Assay Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Chemistry Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Assay Provider:	Matthew George Vander Heiden, Harvard University
Specific Aim:
IC50/EC50:	0.6 nM
AntiTarget and Selectivity:	hPK-R [30]
Chemical Probe (Pubchem Id):	85176568
Pubchem Summary BioAssay ID:	2095
Publications (PubMed Ids):	20017496
Probe Report:	Click to Download
Date Submitted:	9/1/2009



Probe Target and Type:	Antagonists of IAP-family anti-apoptotic proteins
Assay Center:	John Reed, Burnham Center for Chemical Genomics
Chemistry Center:	John Reed, Burnham Center for Chemical Genomics
Assay Provider:	John Reed, Burnham Institute for Medical Research
Specific Aim:
IC50/EC50:	2,200 nM
AntiTarget and Selectivity:	BIR3 [49.4]
Chemical Probe (Pubchem Id):	85164169
Pubchem Summary BioAssay ID:	1638
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	9/30/2010



Probe Target and Type:	qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor
Assay Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Chemistry Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Assay Provider:	Marvin Gershengorn, NIDDK
Specific Aim:
IC50/EC50:	7,943 nM
AntiTarget and Selectivity:	FSHR, LHR [>10]
Chemical Probe (Pubchem Id):	26755506
Pubchem Summary BioAssay ID:	1401
Publications (PubMed Ids):	19592511
Probe Report:	Click to Download
Date Submitted:	9/1/2009



Probe Target and Type:	Discovery of a Highly Selective in vitro and in vivo M4 Positive Allosteric Modulator (PAM)
Assay Center:	David Weaver, Vanderbilt Screening Center for GPCRs, Ion Channels & Transporters
Chemistry Center:	Craig Lindsley, Vanderbilt Specialized Chemistry Center for Accelerated Probe Development
Assay Provider:	Colleen Niswender, Vanderbilt University
Specific Aim:
IC50/EC50:	370 nM
AntiTarget and Selectivity:	M1, M2, M3, M5, PanLabs [>100]
Chemical Probe (Pubchem Id):	85163688
Pubchem Summary BioAssay ID:	2616
Publications (PubMed Ids):	18772318
Probe Report:	Click to Download
Date Submitted:	9/1/2009



Probe Target and Type:	HTS for inhibitors of Eukaryotic Translation Initiation
Assay Center:	Ray Dingledine, Emory Chemical Biology Discovery Center
Chemistry Center:	Ray Dingledine, Emory Chemical Biology Discovery Center
Assay Provider:	Jerry Pelletier, McGill University
Specific Aim:
IC50/EC50:	3,900 nM
AntiTarget and Selectivity:	None []
Chemical Probe (Pubchem Id):	57269291
Pubchem Summary BioAssay ID:	782
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	7/13/2009



Probe Target and Type:	A high-throughput screen for pre-mRNA splicing modulators
Assay Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Chemistry Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Assay Provider:	Tom Misteli, NCI
Specific Aim:
IC50/EC50:	80 nM
AntiTarget and Selectivity:	>400 kinases [0.014 selectivity score]
Chemical Probe (Pubchem Id):	4237508
Pubchem Summary BioAssay ID:	1997
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	5/18/2009



Probe Target and Type:	High throughput screening for SMA
Assay Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Chemistry Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Assay Provider:	Elliot Androphy, University of Massachusetts Medical School
Specific Aim:
IC50/EC50:	2,512nM nM
AntiTarget and Selectivity:	SMN1 protein expression [>50]
Chemical Probe (Pubchem Id):	24819285
Pubchem Summary BioAssay ID:	1474
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	5/18/2009



Probe Target and Type:	High Throughput Screening for Small Molecule Inhibitors of Heparin-induced Tau Fibril Formation
Assay Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Chemistry Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Assay Provider:	Carlo Bellatore, University of Pennsylvania
Specific Aim:
IC50/EC50:	6,300 nM
AntiTarget and Selectivity:	Abeta(1-42) [5.6]
Chemical Probe (Pubchem Id):	57288397
Pubchem Summary BioAssay ID:	1475
Publications (PubMed Ids):	19580328
Probe Report:	Click to Download
Date Submitted:	5/18/2009



Probe Target and Type:	HTS for Identification of Inhibitors against the ERK Signaling Pathway using a Homogenous Cell-based Assay
Assay Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Chemistry Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Assay Provider:	Wei Zheng, NCGC
Specific Aim:
IC50/EC50:	710 nM
AntiTarget and Selectivity:	c-Raf, Mek-1 [>100]
Chemical Probe (Pubchem Id):	22409543
Pubchem Summary BioAssay ID:	1742
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	5/18/2009



Probe Target and Type:	Antagonists of IAP-family anti-apoptotic proteins
Assay Center:	John Reed, Burnham Center for Chemical Genomics
Chemistry Center:	John Reed, Burnham Center for Chemical Genomics
Assay Provider:	John Reed, Burnham Institute for Medical Research
Specific Aim:
IC50/EC50:	4,000 nM
AntiTarget and Selectivity:	BIR3 [8.2]
Chemical Probe (Pubchem Id):	57643995
Pubchem Summary BioAssay ID:	1638
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	5/18/2009



Probe Target and Type:	uHTS for the identification of compounds that potentiate TRAIL-induced apoptosis of cancer cells
Assay Center:	John Reed, Burnham Center for Chemical Genomics
Chemistry Center:	John Reed, Burnham Center for Chemical Genomics
Assay Provider:	Dmitri Rozanov, Burnham Institute for Medical Research
Specific Aim:
IC50/EC50:	372 nM
AntiTarget and Selectivity:	cytotoxicity [>27]
Chemical Probe (Pubchem Id):	57287667
Pubchem Summary BioAssay ID:	1640
Publications (PubMed Ids):	19509255
Probe Report:	Click to Download
Date Submitted:	5/18/2009



Probe Target and Type:	Three small molecule pan activator families of Ras-related GTPases
Assay Center:	Larry Sklar, New Mexico Molecular Libraries Screening Center
Chemistry Center:	Larry Sklar, New Mexico Molecular Libraries Screening Center
Assay Provider:	Angela Wandinger-Ness, University of New Mexico
Specific Aim:
IC50/EC50:	59 nM
AntiTarget and Selectivity:	glutathione S-transferase [>1000]
Chemical Probe (Pubchem Id):	57578335
Pubchem Summary BioAssay ID:	1772
Publications (PubMed Ids):	20008126
Probe Report:	Click to Download
Date Submitted:	5/18/2009



Probe Target and Type:	Therapeutic Inhibitors of Phosphomannose Isomerase
Assay Center:	John Reed, Burnham Center for Chemical Genomics
Chemistry Center:	John Reed, Burnham Center for Chemical Genomics
Assay Provider:	Hudson Freeze, Burnham Institute for Medical Research
Specific Aim:
IC50/EC50:	1,070 nM
AntiTarget and Selectivity:	PMM2 []
Chemical Probe (Pubchem Id):	57309177
Pubchem Summary BioAssay ID:	1545
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	5/17/2009



Probe Target and Type:	Placental Alkaline Phosphatase (PLAP) Luminescent HTS assay
Assay Center:	John Reed, Burnham Center for Chemical Genomics
Chemistry Center:	John Reed, Burnham Center for Chemical Genomics
Assay Provider:	Jose Luis Millán, Burnham Institute for Medical Research
Specific Aim:
IC50/EC50:	4,240 nM
AntiTarget and Selectivity:	TNAP [>27]
Chemical Probe (Pubchem Id):	56405584
Pubchem Summary BioAssay ID:	1577
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	5/16/2009



Probe Target and Type:	qHTS Assay for Inhibitors of 15-hLO-1 (15-human lipoxygenase 1)
Assay Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Chemistry Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Assay Provider:	Holman, T.R., University of California, Santa Cruz
Specific Aim:
IC50/EC50:	1 nM
AntiTarget and Selectivity:	5hLO [4166]
Chemical Probe (Pubchem Id):	81065473
Pubchem Summary BioAssay ID:	887
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	5/14/2009



Probe Target and Type:	Profiling Report: Detergent-sensitive Inhibitors of Cruzain (Aggregators)
Assay Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Chemistry Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Assay Provider:	Brian Shoichet, UCSF
Specific Aim:
IC50/EC50:	nM
AntiTarget and Selectivity:	Unavailable (see probe report for details)
Chemical Probe (Pubchem Id):	-1001
Pubchem Summary BioAssay ID:	1476, 1478
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	5/14/2009



Probe Target and Type:	Promiscuous and Specific Inhibitors of Cruzain (6-(3,5-difluorophenylamino)-9-ethyl-9H-purine-2-carbonitrile)
Assay Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Chemistry Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Assay Provider:	Brian Shoichet, UCSF
Specific Aim:
IC50/EC50:	100 nM
AntiTarget and Selectivity:	Papain [3]
Chemical Probe (Pubchem Id):	85267412 99206571
Pubchem Summary BioAssay ID:	1476, 1478
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	5/14/2009



Probe Target and Type:	Promiscuous and Specific Inhibitors of Cruzain (2-oxo-1,2-diphenylethyl 2-(cyclohexanecarboxamido)acetate)
Assay Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Chemistry Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Assay Provider:	Brian Shoichet, UCSF
Specific Aim:
IC50/EC50:	1,260 nM
AntiTarget and Selectivity:	Papain [40]
Chemical Probe (Pubchem Id):	85267411 99206570
Pubchem Summary BioAssay ID:	1476, 1478
Publications (PubMed Ids):	19908842
Probe Report:	Click to Download
Date Submitted:	5/14/2009



Probe Target and Type:	Probe Report for Nox1 Inhibitors
Assay Center:	Hugh Rosen, The Scripps Research Institute Molecular Libraries Screening Center
Chemistry Center:	Hugh Rosen, The Scripps Research Institute Molecular Libraries Screening Center
Assay Provider:	Gary Bokoch, The Scripps Research Institute
Specific Aim:
IC50/EC50:	90 nM
AntiTarget and Selectivity:	Nox2, Nox3, Nox4 [>100]
Chemical Probe (Pubchem Id):	26535836
Pubchem Summary BioAssay ID:	1796
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	4/23/2009



Probe Target and Type:	Therapeutic Inhibitors of Phosphomannose Isomerase
Assay Center:	John Reed, Burnham Center for Chemical Genomics
Chemistry Center:	John Reed, Burnham Center for Chemical Genomics
Assay Provider:	Hudson Freeze, Burnham Institute for Medical Research
Specific Aim:
IC50/EC50:	1,300 nM
AntiTarget and Selectivity:	PMM2 []
Chemical Probe (Pubchem Id):	57287553
Pubchem Summary BioAssay ID:	1545
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	4/21/2009



Probe Target and Type:	HTS identification of compounds activating TNAP at an intermediate concentration of phosphate acceptor detected in luminescent assay
Assay Center:	John Reed, Burnham Center for Chemical Genomics
Chemistry Center:	John Reed, Burnham Center for Chemical Genomics
Assay Provider:	Jose Luis Millán, Burnham Institute for Medical Research
Specific Aim:
IC50/EC50:	6,190 nM
AntiTarget and Selectivity:	N/A []
Chemical Probe (Pubchem Id):	48410176
Pubchem Summary BioAssay ID:	1548
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	4/21/2009



Probe Target and Type:	The Role of PHOSPHO1 in the Initiation of Skeletal Calcification
Assay Center:	John Reed, Burnham Center for Chemical Genomics
Chemistry Center:	John Reed, Burnham Center for Chemical Genomics
Assay Provider:	Jose Luis Millán, Burnham Institute for Medical Research
Specific Aim:
IC50/EC50:	139 nM
AntiTarget and Selectivity:	TNAP [>719]
Chemical Probe (Pubchem Id):	57287582
Pubchem Summary BioAssay ID:	1574
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	4/18/2009



Probe Target and Type:	Placental Alkaline Phosphatase (PLAP) Luminescent HTS assay
Assay Center:	John Reed, Burnham Center for Chemical Genomics
Chemistry Center:	John Reed, Burnham Center for Chemical Genomics
Assay Provider:	Jose Luis Millán, Burnham Institute for Medical Research
Specific Aim:
IC50/EC50:	2,600 nM
AntiTarget and Selectivity:	TNAP [>42]
Chemical Probe (Pubchem Id):	56373725
Pubchem Summary BioAssay ID:	1577
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	4/18/2009



Probe Target and Type:	Identification of lipid storage modulators
Assay Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Chemistry Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Assay Provider:	Mathias Beller, Max Planck Institute for Biophys Chem
Specific Aim:
IC50/EC50:	5,000 nM
AntiTarget and Selectivity:	Cytotoxicity [>10]
Chemical Probe (Pubchem Id):	11114231
Pubchem Summary BioAssay ID:	1519
Publications (PubMed Ids):	19067489
Probe Report:	Click to Download
Date Submitted:	4/16/2009



Probe Target and Type:	Identification of activators for the M2 isoform of human pyruvate kinase
Assay Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Chemistry Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Assay Provider:	Matthew Vander Heiden, Dana Farber Cancer Institute
Specific Aim:
IC50/EC50:	0.6 nM
AntiTarget and Selectivity:	hPK- R [>30]
Chemical Probe (Pubchem Id):	847943
Pubchem Summary BioAssay ID:	2095
Publications (PubMed Ids):	20017496
Probe Report:	Click to Download
Date Submitted:	4/16/2009



Probe Target and Type:	Probe Report for RBBP9 Inhibitors
Assay Center:	Hugh Rosen, The Scripps Research Institute Molecular Libraries Screening Center
Chemistry Center:	Hugh Rosen, The Scripps Research Institute Molecular Libraries Screening Center
Assay Provider:	Benjamin Cravatt, Scripps Research Institute
Specific Aim:
IC50/EC50:	50% inhibition at 5 uM in ABBP assay nM
AntiTarget and Selectivity:	>30 serine proteases [>200]
Chemical Probe (Pubchem Id):	855836
Pubchem Summary BioAssay ID:	1790
Publications (PubMed Ids):	19329999
Probe Report:	Click to Download
Date Submitted:	3/13/2009



Probe Target and Type:	Probe Report for P97/cdc48 Inhibitors
Assay Center:	Hugh Rosen, The Scripps Research Institute Molecular Libraries Screening Center
Chemistry Center:	Hugh Rosen, The Scripps Research Institute Molecular Libraries Screening Center
Assay Provider:	Raymond Deshaies, California Institute of Technology
Specific Aim:
IC50/EC50:	4,500 nM
AntiTarget and Selectivity:	Mutant P97C522A [>10]
Chemical Probe (Pubchem Id):	56432669
Pubchem Summary BioAssay ID:	1794
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	3/6/2009



Probe Target and Type:	Identification of Functionally Selective Small Molecule Antagonists of the Neuropeptide-S Receptor: Naphthopyranopyrimidines
Assay Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Chemistry Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Assay Provider:	Markus Heilig, National Institute on Alcohol Abuse and Alcoholism
Specific Aim:
IC50/EC50:	1585 nM
AntiTarget and Selectivity:	Muscarinic acetylcholine receptor M1 [>30]
Chemical Probe (Pubchem Id):	56431681 56431665
Pubchem Summary BioAssay ID:	1461
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	2/13/2009



Probe Target and Type:	HTS for Inhibitors of BAP1
Assay Center:	Ray Dingledine, Emory Chemical Biology Discovery Center
Chemistry Center:	Ray Dingledine, Emory Chemical Biology Discovery Center
Assay Provider:	Keith Wilkinson, Emory University
Specific Aim:
IC50/EC50:	10,900 (competitive reversible) nM
AntiTarget and Selectivity:	Unavailable (see probe report for details)
Chemical Probe (Pubchem Id):	48410639
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	2/5/2009



Probe Target and Type:	Discovery of a Highly Selective KCC2 Antagonist
Assay Center:	David Weaver, Vanderbilt Screening Center for GPCRs, Ion Channels & Transporters
Chemistry Center:	Craig Lindsley, Vanderbilt Specialized Chemistry Center for Accelerated Probe Development
Assay Provider:	Eric Delpire, Vanderbilt University
Specific Aim:
IC50/EC50:	537 nM
AntiTarget and Selectivity:	NKCC1 [>100-fold]
Chemical Probe (Pubchem Id):	56405461 99350545
Pubchem Summary BioAssay ID:	1799
Publications (PubMed Ids):	19279215
Probe Report:	Click to Download
Date Submitted:	2/1/2009



Probe Target and Type:	Inhibitors of Protein Folding: DnaK
Assay Center:	John Reed, Burnham Center for Chemical Genomics
Chemistry Center:	John Reed, Burnham Center for Chemical Genomics
Assay Provider:	Maurizio Pellecchia, Ph.D., Burnham Institute for Medical Research
Specific Aim:
IC50/EC50:
AntiTarget and Selectivity:	N/A [N/A]
Chemical Probe (Pubchem Id):	56427267
Pubchem Summary BioAssay ID:	1501
Publications (PubMed Ids):	19694756
Probe Report:	Click to Download
Date Submitted:	1/15/2009



Probe Target and Type:	Probe Report for NPY-Y2 Receptor Antagonists
Assay Center:	Hugh Rosen, The Scripps Research Institute Molecular Libraries Screening Center
Chemistry Center:	Hugh Rosen, The Scripps Research Institute Molecular Libraries Screening Center
Assay Provider:	Claes Wahlestedt, The Scripps Research Institute (TSRI)
Specific Aim:
IC50/EC50:	220 nM
AntiTarget and Selectivity:	NPY Y1 [>100-fold]
Chemical Probe (Pubchem Id):	17507305
Pubchem Summary BioAssay ID:	1791
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	1/13/2009



Probe Target and Type:	Discovery of a Highly Selective in vitro and in vivo M1 Allosteric Agonist Probe
Assay Center:	David Weaver, Vanderbilt Screening Center for GPCRs, Ion Channels & Transporters
Chemistry Center:	Craig Lindsley, Vanderbilt Specialized Chemistry Center for Accelerated Probe Development
Assay Provider:	P. Jeffrey Conn, Vanderbilt University
Specific Aim:
IC50/EC50:	198 nM
AntiTarget and Selectivity:	M2-M5 [>263-fold]
Chemical Probe (Pubchem Id):	56353039 99350544
Pubchem Summary BioAssay ID:	1798
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	12/3/2008



Probe Target and Type:	Tumor Hsp90 Inhibitor
Assay Center:	Ray Dingledine, Emory Chemical Biology Discovery Center
Chemistry Center:	Ray Dingledine, Emory Chemical Biology Discovery Center
Assay Provider:	Gabriela Chiosis, Memorial Sloan-Kettering
Specific Aim:
IC50/EC50:	1,000 nM
AntiTarget and Selectivity:	Unavailable (see probe report for details)
Chemical Probe (Pubchem Id):	24724290
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	152966361794278418571929
Probe Report:	Click to Download
Date Submitted:	4/14/2008



Probe Target and Type:	Inhibitors of BRCT-Phosphoprotein Interaction
Assay Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Chemistry Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Assay Provider:	Amarnath Natarajan, U. Texas
Specific Aim:
IC50/EC50:	6,100 nM
AntiTarget and Selectivity:	Unavailable (see probe report for details)
Chemical Probe (Pubchem Id):	11111316
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	18158907
Probe Report:	Click to Download
Date Submitted:	4/2/2008



Probe Target and Type:	Splicing modulators at the Beta Globin locus
Assay Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Chemistry Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Assay Provider:	Ryszard Kole, UNC
Specific Aim:
IC50/EC50:	500 nM
AntiTarget and Selectivity:	Unavailable (see probe report for details)
Chemical Probe (Pubchem Id):	11112293
Pubchem Summary BioAssay ID:	1405
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	4/2/2008



Probe Target and Type:	Agonists of the Thyroid Stimulating Hormone Receptor
Assay Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Chemistry Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Assay Provider:	Marvin Gershengorn, NIH/NIDDK
Specific Aim:
IC50/EC50:	11,500 nM
AntiTarget and Selectivity:	FSHR, LHCGR [Inactive @100 uM]
Chemical Probe (Pubchem Id):	3714076
Pubchem Summary BioAssay ID:	1401
Publications (PubMed Ids):	18216391
Probe Report:	Click to Download
Date Submitted:	4/2/2008



Probe Target and Type:	Epigenetic Modulators
Assay Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Chemistry Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Assay Provider:	Elizabeth Martinez, U. Texas SW MC
Specific Aim:
IC50/EC50:	5,000 nM
AntiTarget and Selectivity:	AP1 signaling assay [?7 (Inactive @ 38 uM)]
Chemical Probe (Pubchem Id):	26755514
Pubchem Summary BioAssay ID:	1653
Publications (PubMed Ids):	1821181417110211
Probe Report:	Click to Download
Date Submitted:	4/2/2008



Probe Target and Type:	Epigenetic Modulators
Assay Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Chemistry Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Assay Provider:	Elizabeth Martinez, U. Texas SW MC
Specific Aim:
IC50/EC50:	8,900 nM
AntiTarget and Selectivity:	AP1 signaling assay [?4 (Inactive @ 38 uM)]
Chemical Probe (Pubchem Id):	26752291
Pubchem Summary BioAssay ID:	1653
Publications (PubMed Ids):	1821181417110211
Probe Report:	Click to Download
Date Submitted:	4/2/2008



Probe Target and Type:	Epigenetic Modulators
Assay Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Chemistry Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Assay Provider:	Elizabeth Martinez, U. Texas SW MC
Specific Aim:
IC50/EC50:	7,900 nM
AntiTarget and Selectivity:	AP1 signaling assay [?5 (Inactive @ 38 uM)]
Chemical Probe (Pubchem Id):	17389072
Pubchem Summary BioAssay ID:	1653
Publications (PubMed Ids):	1821181417110211
Probe Report:	Click to Download
Date Submitted:	4/2/2008



Probe Target and Type:	Ikappa-B-alpha stabilizers in a human lymphoma cell line
Assay Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Chemistry Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Assay Provider:	Douglas Auld, NCGC
Specific Aim:
IC50/EC50:	2600 nM
AntiTarget and Selectivity:	Cytoxicity [non-toxic 57 uM after 4 hrs]
Chemical Probe (Pubchem Id):	857745
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	1802411317355202
Probe Report:	Click to Download
Date Submitted:	4/2/2008



Probe Target and Type:	DNA-polymerase III (polymerase core enzme) inhibitor
Assay Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Chemistry Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Assay Provider:	Charles McHenry, U. Colorado
Specific Aim:
IC50/EC50:	37 nM
AntiTarget and Selectivity:	Unavailable (see probe report for details)
Chemical Probe (Pubchem Id):	11113162
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	4/2/2008



Probe Target and Type:	DNA Primase Inihibitor
Assay Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Chemistry Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Assay Provider:	Charles McHenry, U. Colorado
Specific Aim:
IC50/EC50:	30,000 nM
AntiTarget and Selectivity:	Polymerase Core: 277 [9]
Chemical Probe (Pubchem Id):	11111487
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	4/2/2008



Probe Target and Type:	qHTS Assay for Disrupters of an Hsp90 Co-Chaperone Interaction
Assay Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Chemistry Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Assay Provider:	Fang Yi, Yale
Specific Aim:
IC50/EC50:	1,150 nM
AntiTarget and Selectivity:	Unavailable (see probe report for details)
Chemical Probe (Pubchem Id):	26753499
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	1878574219211782
Probe Report:	Click to Download
Date Submitted:	4/2/2008



Probe Target and Type:	Tau Filament Binding
Assay Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Chemistry Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Assay Provider:	Jeff Kuret, Ohio State U.
Specific Aim:
IC50/EC50:	2,700 nM
AntiTarget and Selectivity:	Alpha-synuclein [2.4-fold]
Chemical Probe (Pubchem Id):	862054
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	17761424
Probe Report:	Click to Download
Date Submitted:	4/2/2008



Probe Target and Type:	Inhibitor of the Mevalonate Pathway in Streptococcus pneumoniae 1: Inhibitors of Mevalonate Kinase (MK)
Assay Center:	Gary Piazza, Southern Research Molecular Libraries Screening Center
Chemistry Center:	Gary Piazza, Southern Research Molecular Libraries Screening Center
Assay Provider:	Thomas Leyh, Albert Einstein COM
Specific Aim:
IC50/EC50:	510 nM
AntiTarget and Selectivity:	Diphosphomevalonate decarboxylase (DPMDC) [Inactive]
Chemical Probe (Pubchem Id):	26701727
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	4/1/2008



Probe Target and Type:	Pantothenate Synthetase (PanC) Inhibitor
Assay Center:	Gary Piazza, Southern Research Molecular Libraries Screening Center
Chemistry Center:	Gary Piazza, Southern Research Molecular Libraries Screening Center
Assay Provider:	Lucile White, SRI
Specific Aim:
IC50/EC50:	60 nM
AntiTarget and Selectivity:	In Vitro Inhibition of M. tuberculosis [Inactive]
Chemical Probe (Pubchem Id):	26736112
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	4/1/2008



Probe Target and Type:	S1P1 Antagonist
Assay Center:	Hugh Rosen, The Scripps Research Institute Molecular Libraries Screening Center
Chemistry Center:	Hugh Rosen, The Scripps Research Institute Molecular Libraries Screening Center
Assay Provider:	Germana Sanna, Scripps
Specific Aim:
IC50/EC50:	nM
AntiTarget and Selectivity:	Unavailable (see probe report for details)
Chemical Probe (Pubchem Id):	24257742
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	16829954187086351859033318577684
Probe Report:	Click to Download
Date Submitted:	3/30/2008



Probe Target and Type:	High Throughput Fluorescence Polarization Screen for Bcl-B Phenotypic Converters
Assay Center:	John Reed, San Diego Center for Chemical Genomics
Chemistry Center:	John Reed, San Diego Center for Chemical Genomics
Assay Provider:	John Reed, Burnham
Specific Aim:
IC50/EC50:	5600 nM
AntiTarget and Selectivity:	BH-3/Bcl-B or Bcl-2; TR3/Bcl-B or Bcl-2; ATP-Hsp70 binding [ All >100]
Chemical Probe (Pubchem Id):	17457047
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	18626112
Probe Report:	Click to Download
Date Submitted:	3/24/2008



Probe Target and Type:	Autoinducing pheromone (AIP)-dependent bacterial quorum sensing: AIP binding target
Assay Center:	Larry Sklar, New Mexico Molecular Libraries Screening Center
Chemistry Center:	Larry Sklar, New Mexico Molecular Libraries Screening Center
Assay Provider:	Hattie Gresham, UNM
Specific Aim:
IC50/EC50:	150 nM
AntiTarget and Selectivity:	Bacterial Viability Assay [No detectable effects in short and long cultures]
Chemical Probe (Pubchem Id):	24424558
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	3/14/2008



Probe Target and Type:	Autoinducing pheromone (AIP)-dependent bacterial quorum sensing of S. aureus Agr3 agr locus genotype: target downstream of AIP binding
Assay Center:	Larry Sklar, New Mexico Molecular Libraries Screening Center
Chemistry Center:	Larry Sklar, New Mexico Molecular Libraries Screening Center
Assay Provider:	Hattie Gresham, UNM
Specific Aim:
IC50/EC50:	150 nM
AntiTarget and Selectivity:	Bacterial Viability Assay [No detectable effects in short and long cultures]
Chemical Probe (Pubchem Id):	4246674
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	3/14/2008



Probe Target and Type:	Activator of Prostate Cell Differentiation
Assay Center:	Larry Sklar, New Mexico Molecular Libraries Screening Center
Chemistry Center:	Larry Sklar, New Mexico Molecular Libraries Screening Center
Assay Provider:	Todd Thompson, UNM
Specific Aim:
IC50/EC50:	300 nM
AntiTarget and Selectivity:	Androgen Independent Phenotypic Response [N/A]
Chemical Probe (Pubchem Id):	4246202
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	19470718
Probe Report:	Click to Download
Date Submitted:	3/14/2008



Probe Target and Type:	Competitive inhibitor of lingand binding for G protein-coupled receptor 30 (GPR30)
Assay Center:	Larry Sklar, New Mexico Molecular Libraries Screening Center
Chemistry Center:	Larry Sklar, New Mexico Molecular Libraries Screening Center
Assay Provider:	Eric Prossnitz, UNM
Specific Aim:
IC50/EC50:	7 nM
AntiTarget and Selectivity:	Era; ERb [no significant binding to ER alpha or beta]
Chemical Probe (Pubchem Id):	48409542
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	3/14/2008



Probe Target and Type:	Competitive inhibitor of lingand binding for G protein-coupled receptor 30 (GPR30)
Assay Center:	Larry Sklar, New Mexico Molecular Libraries Screening Center
Chemistry Center:	Larry Sklar, New Mexico Molecular Libraries Screening Center
Assay Provider:	Eric Prossnitz, UNM
Specific Aim:
IC50/EC50:	20 nM
AntiTarget and Selectivity:	Era; ERb [no significant binding to ER alpha or beta]
Chemical Probe (Pubchem Id):	48409616
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	1652073319430488
Probe Report:	Click to Download
Date Submitted:	3/14/2008



Probe Target and Type:	Fluorescent Cross-Reactive FPR/FPRL1 Hexapeptide Ligand
Assay Center:	Larry Sklar, New Mexico Molecular Libraries Screening Center
Chemistry Center:	Larry Sklar, New Mexico Molecular Libraries Screening Center
Assay Provider:	Bruce Edwards, UNM
Specific Aim:
IC50/EC50:	nM
AntiTarget and Selectivity:	Unavailable (see probe report for details)
Chemical Probe (Pubchem Id):	-1000
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	3/14/2008



Probe Target and Type:	Formylpeptide Receptor (FPR) Antagonist
Assay Center:	Larry Sklar, New Mexico Molecular Libraries Screening Center
Chemistry Center:	Larry Sklar, New Mexico Molecular Libraries Screening Center
Assay Provider:	Bruce Edwards, UNM
Specific Aim:
IC50/EC50:	95 nM
AntiTarget and Selectivity:	FPRL-1 [119]
Chemical Probe (Pubchem Id):	24428139
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	3/14/2008



Probe Target and Type:	Formylpeptide Receptor-Like 1 (FPRL-1) Antagonist
Assay Center:	Larry Sklar, New Mexico Molecular Libraries Screening Center
Chemistry Center:	Larry Sklar, New Mexico Molecular Libraries Screening Center
Assay Provider:	Bruce Edwards, UNM
Specific Aim:
IC50/EC50:	3100 nM
AntiTarget and Selectivity:	FPR [21]
Chemical Probe (Pubchem Id):	24702504
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	3/14/2008



Probe Target and Type:	Ruthenium-based TrkA Inhibitor
Assay Center:	Scott Diamond, Penn Center for Molecular Discovery
Chemistry Center:	Scott Diamond, Penn Center for Molecular Discovery
Assay Provider:	Scott Diamond, Penn
Specific Aim:
IC50/EC50:	30 nM
AntiTarget and Selectivity:	Unavailable (see probe report for details)
Chemical Probe (Pubchem Id):	49649811
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	19226137
Probe Report:	Click to Download
Date Submitted:	3/13/2008



Probe Target and Type:	Aggregation and Clearance of Huntingtin Inclusions: Huntington’s Disease Assay
Assay Center:	Jim Rothman, MLSCN Center at Columbia University
Chemistry Center:	Jim Rothman, MLSCN Center at Columbia University
Assay Provider:	Ai Yamamoto, Columbia
Specific Aim:
IC50/EC50:	nM
AntiTarget and Selectivity:	Unavailable (see probe report for details)
Chemical Probe (Pubchem Id):	49729242
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	18024113
Probe Report:	Click to Download
Date Submitted:	3/12/2008



Probe Target and Type:	Protein Kinase D Inhibitor
Assay Center:	John Lazo, University of Pittsburgh Molecular Screening Center
Chemistry Center:	John Lazo, University of Pittsburgh Molecular Screening Center
Assay Provider:	Q. Jane Wang, Pittsburgh
Specific Aim:
IC50/EC50:	264 nM
AntiTarget and Selectivity:	AKT; CDK7; PLK1 [> 50-fold]
Chemical Probe (Pubchem Id):	4242787
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	17546004
Probe Report:	Click to Download
Date Submitted:	3/10/2008



Probe Target and Type:	Inhibitors of the Polo box domain of Human Polo-like kinase 1
Assay Center:	John Lazo, University of Pittsburgh Molecular Screening Center
Chemistry Center:	John Lazo, University of Pittsburgh Molecular Screening Center
Assay Provider:	Michael Yaffe, MIT
Specific Aim:
IC50/EC50:	13280 nM
AntiTarget and Selectivity:	Redox Cycling []
Chemical Probe (Pubchem Id):	47212999
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	3/7/2008



Probe Target and Type:	Inhibitor of anti-apoptotic protein Bfl-1
Assay Center:	John Reed, San Diego Center for Chemical Genomics
Chemistry Center:	John Reed, San Diego Center for Chemical Genomics
Assay Provider:	John Reed, Burnham
Specific Aim:
IC50/EC50:	2600 and 1800 nM
AntiTarget and Selectivity:	Bcl-B; Bcl-2; 4 Bcl family members [All >100]
Chemical Probe (Pubchem Id):	26514105
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	1/10/2008



Probe Target and Type:	Inhibitor of anti-apoptotic protein Bfl-1
Assay Center:	John Reed, San Diego Center for Chemical Genomics
Chemistry Center:	John Reed, San Diego Center for Chemical Genomics
Assay Provider:	John Reed, Burnham
Specific Aim:
IC50/EC50:	460 and 570 nM
AntiTarget and Selectivity:	Bcl-B; Bcl-2; 4 Bcl family members [All >100]
Chemical Probe (Pubchem Id):	3962106
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	1/10/2008



Probe Target and Type:	EphA4 Receptor Antagonists for Nervous System Repair
Assay Center:	John Reed, San Diego Center for Chemical Genomics
Chemistry Center:	John Reed, San Diego Center for Chemical Genomics
Assay Provider:	Elena Pasquale, Burnham
Specific Aim:
IC50/EC50:	2100 nM
AntiTarget and Selectivity:	EphB4; Alk Phos [EphB4 >50; Alk Phos > 1000]
Chemical Probe (Pubchem Id):	17465980
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	1872801018708347
Probe Report:	Click to Download
Date Submitted:	1/10/2008



Probe Target and Type:	Tissue-nonspecific Alkaline Phosphatase (TNAP)
Assay Center:	John Reed, San Diego Center for Chemical Genomics
Chemistry Center:	John Reed, San Diego Center for Chemical Genomics
Assay Provider:	Jose Luis Millan, Burnham
Specific Aim:
IC50/EC50:	5 nM
AntiTarget and Selectivity:	PLAP (690); GAPDH [PLAP > 10; GAPDH >10;]
Chemical Probe (Pubchem Id):	48410135
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	1/10/2008



Probe Target and Type:	Intestinal alkaline phosphatase (IAP-L) Inhibitor
Assay Center:	John Reed, San Diego Center for Chemical Genomics
Chemistry Center:	John Reed, San Diego Center for Chemical Genomics
Assay Provider:	Jose Luis Millan, Burnham
Specific Aim:
IC50/EC50:	122 nM
AntiTarget and Selectivity:	IAP-C; TNAP-L(518); TNAP-C(614); PLAP-L(690) [IAP-C 11.3; TNAP-L 6.5X; TNAP-C > 1000X; PLAP-L 34.3X]
Chemical Probe (Pubchem Id):	46493464
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	1/10/2008



Probe Target and Type:	Chemical Inhibitors of ER Stress
Assay Center:	John Reed, San Diego Center for Chemical Genomics
Chemistry Center:	John Reed, San Diego Center for Chemical Genomics
Assay Provider:	John Reed, Burnham
Specific Aim:
IC50/EC50:	8,800 nM
AntiTarget and Selectivity:	apoptosis induced by TNF/chx; staurosporine or VP16 up to 100 uM [>50 for all cell death pathways]
Chemical Probe (Pubchem Id):	17464539
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	19004820
Probe Report:	Click to Download
Date Submitted:	1/10/2008



Probe Target and Type:	Human Cathepsin L Inhibitor
Assay Center:	Scott Diamond, Penn Center for Molecular Discovery
Chemistry Center:	Scott Diamond, Penn Center for Molecular Discovery
Assay Provider:	Scott Diamond, Penn
Specific Aim:
IC50/EC50:	6.9 nM
AntiTarget and Selectivity:	Cathepsin B; Non-toxic to zebrafish at 100 ?M; Inhibits SARS-CoV pseudotype infection with IC50 = ~200 nM; Inhibits Ebola virus pseudotype infection with IC50 = ~200 nM. [725]
Chemical Probe (Pubchem Id):	46493575
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	185933771765608817157549179578221903565018616925
Probe Report:	Click to Download
Date Submitted:	1/7/2008



Probe Target and Type:	N-(quinolin-8-yl)benzenesulfonamides as Agents Capable of Down-Regulating NF?B Activity within Two Separate High-Throughput Screens of NF?B Activation
Assay Center:	Jim Rothman, MLSCN Center at Columbia University
Chemistry Center:	Jim Rothman, MLSCN Center at Columbia University
Assay Provider:	Thomas Mayer, Columbia
Specific Aim:
IC50/EC50:	nM
AntiTarget and Selectivity:	Unavailable (see probe report for details)
Chemical Probe (Pubchem Id):	56492325
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	19243939
Probe Report:	Click to Download
Date Submitted:	12/21/2007



Probe Target and Type:	Matrix Metalloproteinase-8 (MMP-8) Inhibitor
Assay Center:	Hugh Rosen, The Scripps Research Institute Molecular Libraries Screening Center
Chemistry Center:	Hugh Rosen, The Scripps Research Institute Molecular Libraries Screening Center
Assay Provider:	Gregg Fields, Florida Atlantic U.
Specific Aim:
IC50/EC50:	2100 nM
AntiTarget and Selectivity:	MMP-13; MMP-9 [Inactive]
Chemical Probe (Pubchem Id):	842343
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	183642571835872917949675
Probe Report:	Click to Download
Date Submitted:	12/20/2007



Probe Target and Type:	Matrix Metalloproteinase-13 (MMP-13) Inhibitor
Assay Center:	Hugh Rosen, The Scripps Research Institute Molecular Libraries Screening Center
Chemistry Center:	Hugh Rosen, The Scripps Research Institute Molecular Libraries Screening Center
Assay Provider:	Gregg Fields, Florida Atlantic U.
Specific Aim:
IC50/EC50:	3400 nM
AntiTarget and Selectivity:	MMP-8; MMP-9 [Inactive]
Chemical Probe (Pubchem Id):	4257091
Pubchem Summary BioAssay ID:	1931
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	12/19/2007



Probe Target and Type:	Sphingosine-1-phosphate receptor 2 (S1P2) Agonist
Assay Center:	Hugh Rosen, The Scripps Research Institute Molecular Libraries Screening Center
Chemistry Center:	Hugh Rosen, The Scripps Research Institute Molecular Libraries Screening Center
Assay Provider:	Germana Sanna, Scripps
Specific Aim:
IC50/EC50:	720 nM
AntiTarget and Selectivity:	S1P1; S1P3 [Inactive]
Chemical Probe (Pubchem Id):	46371210
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	12/14/2007



Probe Target and Type:	Phosphodiesterase 4 (PDE4) Inhibitor in the cyclic response element-binding proteins (CREB) pathway
Assay Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Chemistry Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Assay Provider:	Marshall Nirenberg, NIH/NHLBI
Specific Aim:
IC50/EC50:	30 nM
AntiTarget and Selectivity:	Selected PDE isoforms [Inactive against other isoforms]
Chemical Probe (Pubchem Id):	29217043
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	1824369719464886
Probe Report:	Click to Download
Date Submitted:	12/10/2007



Probe Target and Type:	Chemical inhibitors of antigen receptor-induced NF-?B
Assay Center:	John Reed, San Diego Center for Chemical Genomics
Chemistry Center:	John Reed, San Diego Center for Chemical Genomics
Assay Provider:	John Reed, Burnham
Specific Aim:
IC50/EC50:	70 nM
AntiTarget and Selectivity:	NFkB by TNF induction; NLR agonists; TLR4; cIAP/MALT [all > 100]
Chemical Probe (Pubchem Id):	17450324
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	12/10/2007



Probe Target and Type:	Tissue-nonspecific Alkaline Phosphatase (TNAP)
Assay Center:	John Reed, San Diego Center for Chemical Genomics
Chemistry Center:	John Reed, San Diego Center for Chemical Genomics
Assay Provider:	Jose Luis Millan, Burnham
Specific Aim:
IC50/EC50:	193 nM
AntiTarget and Selectivity:	PLAP-L (690); IAP (1017) [ PLAP-L >100; IAP >100]
Chemical Probe (Pubchem Id):	26514170
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	1955661219038545
Probe Report:	Click to Download
Date Submitted:	12/8/2007



Probe Target and Type:	High Throughput Screening Campaign to Identify Inhibitors of MMP-8
Assay Center:	Hugh Rosen, The Scripps Research Institute Molecular Libraries Screening Center
Chemistry Center:	Hugh Rosen, The Scripps Research Institute Molecular Libraries Screening Center
Assay Provider:	Gregg Fields, Florida Atlantic U.
Specific Aim:
IC50/EC50:	nM
AntiTarget and Selectivity:	Unavailable (see probe report for details)
Chemical Probe (Pubchem Id):	24278620
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	12/7/2007



Probe Target and Type:	AmpC beta-lactamase Non-Covalent Inhibitor
Assay Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Chemistry Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Assay Provider:	Brian Shoichet, UCSF
Specific Aim:
IC50/EC50:	8000 nM
AntiTarget and Selectivity:	Unavailable (see probe report for details)
Chemical Probe (Pubchem Id):	26740854
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	1744774818333608
Probe Report:	Click to Download
Date Submitted:	12/6/2007



Probe Target and Type:	AmpC beta-lactamase Covalent Inhibitor
Assay Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Chemistry Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Assay Provider:	Brian Shoichet, UCSF
Specific Aim:
IC50/EC50:	66 nM
AntiTarget and Selectivity:	Cruzain; Chymotrypsin; Malate Dehydrogenase [410 ;
Chemical Probe (Pubchem Id):	864201
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	12/6/2007



Probe Target and Type:	Inhibitors of the NS2B-NS3 Proteinase of West Nile Virus
Assay Center:	John Lazo, University of Pittsburgh Molecular Screening Center
Chemistry Center:	John Lazo, University of Pittsburgh Molecular Screening Center
Assay Provider:	Alex Strongin, Burnham
Specific Aim:
IC50/EC50:	183 nM
AntiTarget and Selectivity:	Cathepsin Cysteine Proteases []
Chemical Probe (Pubchem Id):	852843
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	18181690
Probe Report:	Click to Download
Date Submitted:	12/5/2007



Probe Target and Type:	Human Cathepsin L Inhibitor
Assay Center:	Scott Diamond, Penn Center for Molecular Discovery
Chemistry Center:	Scott Diamond, Penn Center for Molecular Discovery
Assay Provider:	Scott Diamond, Penn
Specific Aim:
IC50/EC50:	56 nM
AntiTarget and Selectivity:	Cathepsin B [45]
Chemical Probe (Pubchem Id):	26681509
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	18403718185980211806077218499453
Probe Report:	Click to Download
Date Submitted:	12/5/2007



Probe Target and Type:	12-kDa FK506-binding protein (FKBP12) Activator
Assay Center:	John Reed, San Diego Center for Chemical Genomics
Chemistry Center:	John Reed, San Diego Center for Chemical Genomics
Assay Provider:	Maurizio Pellechia, Burnham
Specific Aim:
IC50/EC50:	200 (Kd) nM
AntiTarget and Selectivity:	T-Cell activation (immunosupression) [>100 ]
Chemical Probe (Pubchem Id):	26679186
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	18038971
Probe Report:	Click to Download
Date Submitted:	11/1/2007



Probe Target and Type:	Toll-Like Receptor 4-MyD88 Signaling Inhibitor
Assay Center:	Hugh Rosen, The Scripps Research Institute Molecular Libraries Screening Center
Chemistry Center:	Hugh Rosen, The Scripps Research Institute Molecular Libraries Screening Center
Assay Provider:	Peter Tobias, Scripps
Specific Aim:
IC50/EC50:	370 nM
AntiTarget and Selectivity:	Beta-lactamase [Inactive]
Chemical Probe (Pubchem Id):	26543390
Pubchem Summary BioAssay ID:	1953
Publications (PubMed Ids):	17615244
Probe Report:	Click to Download
Date Submitted:	10/29/2007



Probe Target and Type:	Measles Virus Inhibitor
Assay Center:	Ray Dingledine, Emory Chemical Biology Discovery Center
Chemistry Center:	Ray Dingledine, Emory Chemical Biology Discovery Center
Assay Provider:	Richard Plemper, Emory
Specific Aim:
IC50/EC50:	3.8 nM
AntiTarget and Selectivity:	cell toxicity [>16,500]
Chemical Probe (Pubchem Id):	24769845
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	185290431764330217470652
Probe Report:	Click to Download
Date Submitted:	10/26/2007



Probe Target and Type:	High-Throughput Screening Campaign to Identify Inhibitors of SF-1
Assay Center:	Hugh Rosen, The Scripps Research Institute Molecular Libraries Screening Center
Chemistry Center:	Hugh Rosen, The Scripps Research Institute Molecular Libraries Screening Center
Assay Provider:	Xiaolin Li, Orphagen Pharmaceuticals
Specific Aim:
IC50/EC50:	603 nM
AntiTarget and Selectivity:	RAR-related Orphan Receptor A (RORA) [Inactive]
Chemical Probe (Pubchem Id):	46499798
Pubchem Summary BioAssay ID:	1844
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	10/22/2007



Probe Target and Type:	High-Throughput Screening Campaign to Identify Inhibitors of SF-1
Assay Center:	Hugh Rosen, The Scripps Research Institute Molecular Libraries Screening Center
Chemistry Center:	Hugh Rosen, The Scripps Research Institute Molecular Libraries Screening Center
Assay Provider:	Xiaolin Li, Orphagen Pharmaceuticals
Specific Aim:
IC50/EC50:	195 nM
AntiTarget and Selectivity:	RAR-related Orphan Receptor A (RORA) [Inactive]
Chemical Probe (Pubchem Id):	46499846
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	10/22/2007



Probe Target and Type:	High-Throughput Screening Campaign to Identify Inhibitors of SF-1
Assay Center:	Hugh Rosen, The Scripps Research Institute Molecular Libraries Screening Center
Chemistry Center:	Hugh Rosen, The Scripps Research Institute Molecular Libraries Screening Center
Assay Provider:	Xiaolin Li, Orphagen Pharmaceuticals
Specific Aim:
IC50/EC50:	200 nM
AntiTarget and Selectivity:	RAR-related Orphan Receptor A (RORA) [Inactive]
Chemical Probe (Pubchem Id):	46499821
Pubchem Summary BioAssay ID:	1844
Publications (PubMed Ids):	1833459718374567
Probe Report:	Click to Download
Date Submitted:	10/22/2007



Probe Target and Type:	HIV-1 Reverse Transcriptase Associated Ribonuclease H (Rnase H) Inhibitor
Assay Center:	John Lazo, University of Pittsburgh Molecular Screening Center
Chemistry Center:	John Lazo, University of Pittsburgh Molecular Screening Center
Assay Provider:	Michael Parniak, Pittsburgh
Specific Aim:
IC50/EC50:	31 nM
AntiTarget and Selectivity:	Unavailable (see probe report for details)
Chemical Probe (Pubchem Id):	863762
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	10/20/2007



Probe Target and Type:	Zebrafish Angiogenesis Inhibitor
Assay Center:	Ray Dingledine, Emory Chemical Biology Discovery Center
Chemistry Center:	Ray Dingledine, Emory Chemical Biology Discovery Center
Assay Provider:	Eric Sandberg, Zygogen Inc
Specific Aim:
IC50/EC50:	310 nM
AntiTarget and Selectivity:	cell toxicity (HUVECs) [28]
Chemical Probe (Pubchem Id):	17405181
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	18056466
Probe Report:	Click to Download
Date Submitted:	9/20/2007



Probe Target and Type:	Rho Kinase II Inhibitor
Assay Center:	Hugh Rosen, The Scripps Research Institute Molecular Libraries Screening Center
Chemistry Center:	Hugh Rosen, The Scripps Research Institute Molecular Libraries Screening Center
Assay Provider:	Philip LaGrasso, Scripps
Specific Aim:
IC50/EC50:	80 nM
AntiTarget and Selectivity:	PKA [Inactive]
Chemical Probe (Pubchem Id):	26657388
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	1736801918227223
Probe Report:	Click to Download
Date Submitted:	8/23/2007



Probe Target and Type:	CREB signaling pathway: CRE potentiator
Assay Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Chemistry Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Assay Provider:	Marshall Nirenberg, NIH/NHLBI
Specific Aim:
IC50/EC50:	79 nM
AntiTarget and Selectivity:	Unavailable (see probe report for details)
Chemical Probe (Pubchem Id):	863038
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	18243697199360371302010619196967
Probe Report:	Click to Download
Date Submitted:	6/5/2007



Probe Target and Type:	Allosteric Modulators of the M1 Muscarinic Receptor – Antagonist
Assay Center:	David Weaver, Vanderbilt Screening Center for GPCRs, Ion Channels & Transporters
Chemistry Center:	David Weaver, Vanderbilt Screening Center for GPCRs, Ion Channels & Transporters
Assay Provider:	Jeff Conn, Vanderbilt
Specific Aim:
IC50/EC50:	1200 nM
AntiTarget and Selectivity:	Unavailable (see probe report for details)
Chemical Probe (Pubchem Id):	4248988
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	1940708018178088
Probe Report:	Click to Download
Date Submitted:	6/1/2007



Probe Target and Type:	Molecule Modulators: Voltage-Dependent Potassium (RMI)
Assay Center:	David Weaver, Vanderbilt Screening Center for GPCRs, Ion Channels & Transporters
Chemistry Center:	David Weaver, Vanderbilt Screening Center for GPCRs, Ion Channels & Transporters
Assay Provider:	Ming Zhou, Columbia
Specific Aim:
IC50/EC50:	30 nM
AntiTarget and Selectivity:	Unavailable (see probe report for details)
Chemical Probe (Pubchem Id):	856002
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	6/1/2007



Probe Target and Type:	Glucocerebrosidase Inhibitor (Chemotype 3)
Assay Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Chemistry Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Assay Provider:	Wei Zheng, NCGC
Specific Aim:
IC50/EC50:	330 nM
AntiTarget and Selectivity:	Rice alpha glucosidase; Human alpha galactosidase [Inactive @ 77 uM]
Chemical Probe (Pubchem Id):	49645689
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	1782700617670938
Probe Report:	Click to Download
Date Submitted:	2/1/2007



Probe Target and Type:	Glucocerebrosidase Inhibitor (Chemotype 2)
Assay Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Chemistry Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Assay Provider:	Wei Zheng, NCGC
Specific Aim:
IC50/EC50:	74 nM
AntiTarget and Selectivity:	Rice alpha glucosidase; Human alpha galactosidase [Inactive @ 77 uM]
Chemical Probe (Pubchem Id):	4264637
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	2/1/2007



Probe Target and Type:	Glucocerebrosidase Inhibitor (Chemotype 1)
Assay Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Chemistry Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Assay Provider:	Wei Zheng, NCGC
Specific Aim:
IC50/EC50:	35 nM
AntiTarget and Selectivity:	Rice alpha glucosidase; Human alpha galactosidase [Inactive @ 77 uM]
Chemical Probe (Pubchem Id):	26753329
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	Unavailable (see probe report for details)
Probe Report:	Click to Download
Date Submitted:	2/1/2007



Probe Target and Type:	Sphingosine-1-phosphate receptor 1 (S1P1) Agonist
Assay Center:	Hugh Rosen, The Scripps Research Institute Molecular Libraries Screening Center
Chemistry Center:	Hugh Rosen, The Scripps Research Institute Molecular Libraries Screening Center
Assay Provider:	Germana Sanna, Scripps
Specific Aim:
IC50/EC50:	226 nM
AntiTarget and Selectivity:	S1P3 [Inactive]
Chemical Probe (Pubchem Id):	4258673
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	159755161634232618091583
Probe Report:	Click to Download
Date Submitted:	2/1/2007



Probe Target and Type:	Sphingosine-1-phosphate receptor 3 (S1P3) Agonist
Assay Center:	Hugh Rosen, The Scripps Research Institute Molecular Libraries Screening Center
Chemistry Center:	Hugh Rosen, The Scripps Research Institute Molecular Libraries Screening Center
Assay Provider:	Germana Sanna, Scripps
Specific Aim:
IC50/EC50:	6630 nM
AntiTarget and Selectivity:	S1P1 [Inactive]
Chemical Probe (Pubchem Id):	7977380
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	18590333
Probe Report:	Click to Download
Date Submitted:	2/1/2007



Probe Target and Type:	Inhibitor of Schistosoma Mansoni Redox Cascade
Assay Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Chemistry Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Assay Provider:	David Williams, Illinois State U.
Specific Aim:
IC50/EC50:	25 nM
AntiTarget and Selectivity:	human GR [Inactive @ 50 uM]
Chemical Probe (Pubchem Id):	11111612
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	1834501018235848
Probe Report:	Click to Download
Date Submitted:	12/20/2006



Probe Target and Type:	Inhibitor of Bacillus stearothermophilus Pyruvate Kinase
Assay Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Chemistry Center:	Chris Austin, NIH Chemical Genomics Center(NCGC)
Assay Provider:	Douglas Auld, NCGC
Specific Aim:
IC50/EC50:	250 nM
AntiTarget and Selectivity:	Human PK; Leishmania Mexicana PK [Inactive at 57uM]
Chemical Probe (Pubchem Id):	862236
Pubchem Summary BioAssay ID:	Unavailable (see probe report for details)
Publications (PubMed Ids):	16864780
Probe Report:	Click to Download
Date Submitted:	10/1/2006