BDBM50128560 Acetic acid (10R,13S,17S)-10,13-dimethyl-3-oxo-8,9,10,11,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-17-yl ester::CHEMBL419831

SMILES: CC(=O)O[C@H]1CCC2C3C=CC4=CC(=O)C=C[C@]4(C)C3CC[C@]12C

InChI Key: InChIKey=SDLIPEORADMQOU-AYUYWISESA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50128560   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM50128560 (Acetic acid (10R,13S,17S)-10,13-dimethyl-3-oxo-8,9...) Show SMILES CC(=O)O[C@H]1CCC2C3C=CC4=CC(=O)C=C[C@]4(C)C3CC[C@]12C |c:9,15,t:11| Show InChI InChI=1S/C21H26O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h4-5,8,10,12,16-19H,6-7,9,11H2,1-3H3/t16?,17?,18?,19-,20-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
Accelrys Curated by ChEMBL					Assay Description In vitro cytochrome P450 17A1 inhibition was assayed using the rapid acetic acid releasing assay (AARA), utilizing intact P450c17-expressing Escheric...				J Med Chem 46: 2345-51 (2003) Article DOI: 10.1021/jm020576u BindingDB Entry DOI: 10.7270/Q2WD41B7
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