BDBM18176 4-[(1S,7S,7aR)-7-hydroxy-1-methyl-3-oxo-hexahydro-1H-pyrrolo[1,2-a]imidazolidin-2-yl]-2-chloro-3-methylbenzonitrile::JMC522794 Compound 16::imidazolin-2-one, 10a

SMILES [H][C@@]12[C@@H](O)CCN1C(=O)N([C@H]2C)c1ccc(C#N)c(Cl)c1C

InChI Key InChIKey=CISLHASSAIGRLX-DUFXMDAXSA-N

Data  2 KI  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 18176   

TargetAndrogen receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

LigandPNGBDBM18176(4-[(1S,7S,7aR)-7-hydroxy-1-methyl-3-oxo-hexahydro-...)
Affinity DataKi:  1.5nM ΔG°:  -11.9kcal/mole EC50:  5.20nMpH: 7.4 T: 2°CAssay Description:Receptor Binding Assay (Ki)-Binding determined through direct displacement of ligand with [3H]-DHT in the MDA-453 cell line. Transactivation Assay (E...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAndrogen receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

LigandPNGBDBM18176(4-[(1S,7S,7aR)-7-hydroxy-1-methyl-3-oxo-hexahydro-...)
Affinity DataKi:  1.60nM ΔG°:  -11.9kcal/mole EC50:  5.40nMpH: 7.6 T: 2°CAssay Description:Binding assays were conducted by incubating test compound at various concentrations with [3H]DHT with human cancer epithelial breast cell lines MDAMB...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed