BDBM32050 MLS000080844::SMR000044769::cid_663844

SMILES O=C1c2ccccc2-c2onc3ccc(NCCCn4ccnc4)c1c23

InChI Key InChIKey=SIJFRVCYVJSYJY-UHFFFAOYSA-N

Data  18 IC50  10 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 28 hits for monomerid = 32050   

TargetBcl-2-like protein 2(Human)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM32050(SMR000044769 | MLS000080844 | cid_663844)
Affinity DataEC50:  1.11E+3nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/28/2011
Entry Details
PCBioAssay
TargetProtein LANA1(HHV-8)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM32050(SMR000044769 | MLS000080844 | cid_663844)
Affinity DataEC50:  549nMAssay Description:Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/31/2011
Entry Details
PCBioAssay
TargetGlycogen synthase kinase-3 beta(Human)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM32050(SMR000044769 | MLS000080844 | cid_663844)
Affinity DataEC50:  1.67E+5nMAssay Description:Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/29/2011
Entry Details
PCBioAssay
TargetSerine/threonine-protein kinase 33(Human)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM32050(SMR000044769 | MLS000080844 | cid_663844)
Affinity DataEC50:  8.03E+3nMAssay Description:Keywords: STK33 Kinase, Non-ATP Competitive Inhibitor Assay Overview: Purified STK33 Kinase is preincubated with potential inhibitors and allowed to ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/12/2011
Entry Details
PCBioAssay
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM32050(SMR000044769 | MLS000080844 | cid_663844)
Affinity DataIC50: 5.39E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/11/2011
Entry Details
PCBioAssay
TargetBeta-lactamase(Salmonella enterica subsp. enterica serovar Choler...)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM32050(SMR000044769 | MLS000080844 | cid_663844)
Affinity DataIC50: 3.02E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/11/2011
Entry Details
PCBioAssay
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM32050(SMR000044769 | MLS000080844 | cid_663844)
Affinity DataIC50: 1.72E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/11/2011
Entry Details
PCBioAssay
TargetVoltage-dependent N-type calcium channel subunit alpha-1B(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM32050(SMR000044769 | MLS000080844 | cid_663844)
Affinity DataIC50: 3.18E+3nMAssay Description:Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/9/2011
Entry Details
PCBioAssay
TargetDual specificity protein phosphatase 6(Rat)
Sanford-Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM32050(SMR000044769 | MLS000080844 | cid_663844)
Affinity DataIC50: 1.19E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/4/2011
Entry Details
PCBioAssay
LigandPNGBDBM32050(SMR000044769 | MLS000080844 | cid_663844)
Affinity DataEC50:  3.00E+4nMAssay Description:University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/31/2011
Entry Details
PCBioAssay
LigandPNGBDBM32050(SMR000044769 | MLS000080844 | cid_663844)
Affinity DataEC50:  3.00E+4nMAssay Description:University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/31/2011
Entry Details
PCBioAssay
TargetD(1A) dopamine receptor(Human)
Vanderbilt Screening Center For Gpcrs, Ion Channels and Transporters

Curated by PubChem BioAssay
LigandPNGBDBM32050(SMR000044769 | MLS000080844 | cid_663844)
Affinity DataEC50:  0.00572nMAssay Description:Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2011
Entry Details
PCBioAssay
TargetMitogen-activated protein kinase 10(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM32050(SMR000044769 | MLS000080844 | cid_663844)
Affinity DataIC50: 2.22E+4nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/20/2011
Entry Details
PCBioAssay
TargetApoptosis regulator Bcl-2(Human)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM32050(SMR000044769 | MLS000080844 | cid_663844)
Affinity DataEC50:  4.05E+3nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/20/2011
Entry Details
PCBioAssay
TargetHeat shock protein HSP 90-alpha(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM32050(SMR000044769 | MLS000080844 | cid_663844)
Affinity DataIC50: 280nMpH: 7.4 T: 2°CAssay Description:A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/9/2009
Entry Details
PCBioAssay
LigandPNGBDBM32050(SMR000044769 | MLS000080844 | cid_663844)
Affinity DataEC50:  1.72E+4nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/28/2011
Entry Details
PCBioAssay
TargetHeat shock protein HSP 90-alpha(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM32050(SMR000044769 | MLS000080844 | cid_663844)
Affinity DataIC50: 3.00E+4nMAssay Description:Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/6/2011
Entry Details
PCBioAssay
TargetEphrin type-B receptor 4(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM32050(SMR000044769 | MLS000080844 | cid_663844)
Affinity DataIC50: 800nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/12/2011
Entry Details
PCBioAssay
TargetDual specificity protein phosphatase 6(Rat)
Sanford-Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM32050(SMR000044769 | MLS000080844 | cid_663844)
Affinity DataIC50: 5.00E+4nMAssay Description:The MKP-3 dose response assay Active/Probe Assessment Assay - Reproducibility testing has been developed to test the reproducibility of MKP-3 inhibit...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2011
Entry Details
PCBioAssay
TargetDual specificity protein phosphatase 6(Rat)
Sanford-Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM32050(SMR000044769 | MLS000080844 | cid_663844)
Affinity DataIC50: 4.76E+4nMAssay Description:The MKP-3 dose response Active/Probe assessment-Catalase assay has been developed to evaluate the effects of adding 100 U/mL of Catalase on the MKP-3...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2011
Entry Details
PCBioAssay
TargetBcl-2-related protein A1(Mouse)
Sanford-Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM32050(SMR000044769 | MLS000080844 | cid_663844)
Affinity DataIC50: 1.00E+5nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2011
Entry Details
PCBioAssay
TargetDual specificity protein phosphatase 6(Rat)
Sanford-Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM32050(SMR000044769 | MLS000080844 | cid_663844)
Affinity DataIC50: 2.02E+4nMAssay Description:The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/29/2011
Entry Details
PCBioAssay
TargetDual specificity protein phosphatase 1(Human)
University of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM32050(SMR000044769 | MLS000080844 | cid_663844)
Affinity DataIC50: 2.77E+4nMAssay Description:The MKP-1 dose response assay Active/Probe Assessment Assay - Reproducibility testing has been developed to test the reproducibility of MKP-1 inhibit...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2011
Entry Details
PCBioAssay
TargetDual specificity protein phosphatase 1(Human)
University of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM32050(SMR000044769 | MLS000080844 | cid_663844)
Affinity DataIC50: 3.52E+4nMAssay Description:The MKP-1 dose response Active/Probe assessment-Catalase assay has been developed to evaluate the effects of adding 100 U/mL of Catalase on the MKP-1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2011
Entry Details
PCBioAssay
TargetDual specificity protein phosphatase 1(Human)
University of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM32050(SMR000044769 | MLS000080844 | cid_663844)
Affinity DataIC50: 3.52E+4nMAssay Description:The MKP-1 dose response Active/Probe assessment-DTT assay has been developed to evaluate the effects of increased DTT concentration on the MKP-1 inhi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2011
Entry Details
PCBioAssay
TargetDual specificity protein phosphatase 1(Human)
University of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM32050(SMR000044769 | MLS000080844 | cid_663844)
Affinity DataIC50: 2.78E+4nMpH: 7.0 T: 2°CAssay Description:The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2009
Entry Details
PCBioAssay
TargetBcl-2-related protein A1(Mouse)
Sanford-Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM32050(SMR000044769 | MLS000080844 | cid_663844)
Affinity DataIC50: 1.00E+5nMpH: 7.0 T: 2°CAssay Description:The aim is to identify chemical probes of Bfl-1 through a fluorescence polarization assay (FPA) using FITC-Bid BH3 peptide. 1) Dose-response curves c...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/24/2009
Entry Details
PCBioAssay
LigandPNGBDBM32050(SMR000044769 | MLS000080844 | cid_663844)
Affinity DataEC50:  1.14E+3nMpH: 7.4 T: 2°CAssay Description:The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/9/2009
Entry Details
PCBioAssay