BDBM42995 2-(2-Adamantan-1-yl-2-oxo-ethylsulfanyl)-6-amino-4-(4-chloro-phenyl)-pyridine-3,5-dicarbonitrile::2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-6-azanyl-4-(4-chlorophenyl)pyridine-3,5-dicarbonitrile::2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-amino-4-(4-chlorophenyl)pyridine-3,5-dicarbonitrile::2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-6-amino-4-(4-chlorophenyl)dinicotinonitrile::2-[[2-(1-adamantyl)-2-oxoethyl]thio]-6-amino-4-(4-chlorophenyl)pyridine-3,5-dicarbonitrile::MLS000552640::SMR000146155::cid_3767937

SMILES [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)CSc1nc(N)c(C#N)c(-c2ccc(Cl)cc2)c1C#N

InChI Key

Data  4 IC50  3 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 42995   

TargetNuclear receptor coactivator 2(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM42995(2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-...)
Affinity DataEC50:  2.47E+3nMAssay 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:
5/28/2011
Entry Details
PCBioAssay
TargetNuclear receptor coactivator 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM42995(2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-...)
Affinity DataEC50:  2.94E+3nMAssay 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:
5/20/2011
Entry Details
PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mouse)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM42995(2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-...)
Affinity DataIC50: 4.83E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/12/2011
Entry Details
PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mouse)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM42995(2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-...)
Affinity DataIC50: 4.83E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay
TargetNuclear receptor coactivator 3(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM42995(2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-...)
Affinity DataEC50:  8.07E+3nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center http://molscreen.florida.scripps.edu/ Center Affiliation: The ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/28/2011
Entry Details
PCBioAssay
TargetX-box-binding protein 1(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM42995(2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-...)
Affinity DataIC50: 1.00E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay
TargetMitochondrial import inner membrane translocase subunit TIM10(Baker's yeast)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM42995(2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-...)
Affinity DataIC50: 4.16E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay