BDBM18175 4-[(3aR,4R,6aS)-4-hydroxy-1-oxo-octahydrocyclopenta[c]pyrrol-2-yl]-2-chloro-3-methylbenzonitrile::Pyrrolidin-2-one, 9

SMILES [H][C@]12CN(C(=O)[C@@]1([H])CC[C@H]2O)c1ccc(C#N)c(Cl)c1C

InChI Key InChIKey=CUPZZXGHRQKNST-UHFFFAOYSA-N

Data  1 KI  1 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 1 hit for monomerid = 18175   

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

LigandPNGBDBM18175(4-[(3aR,4R,6aS)-4-hydroxy-1-oxo-octahydrocyclopent...)
Affinity DataKi:  2.20nM ΔG°:  -11.7kcal/mole EC50:  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 Depth
Date in BDB:
10/8/2007
Entry Details Article
PubMed