BDBM50128556 (R)-4-((3S,10R)-3-Hydroxy-10-methyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-pentanoic acid bicyclo[3.2.1]oct-3-en-6-yl ester::CHEMBL80216

SMILES: CC(CCC(=O)OC1CC2CC1C=CC2)[C@H]1CCC2C1CCC1C2CC=C2C[C@@H](O)CC[C@]12C

InChI Key: InChIKey=FHGJIDSWVTVJOT-FEPWSWQJSA-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 = 50128556   

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))	BDBM50128556 ((R)-4-((3S,10R)-3-Hydroxy-10-methyl-2,3,4,7,8,9,10...) Show SMILES CC(CCC(=O)OC1CC2CC1C=CC2)[C@H]1CCC2C1CCC1C2CC=C2C[C@@H](O)CC[C@]12C |c:13,t:29,THB:6:7:10:12.13.14| Show InChI InChI=1S/C31H46O3/c1-19(6-13-30(33)34-29-17-20-4-3-5-21(29)16-20)24-9-10-26-25(24)11-12-28-27(26)8-7-22-18-23(32)14-15-31(22,28)2/h3,5,7,19-21,23-29,32H,4,6,8-18H2,1-2H3/t19?,20?,21?,23-,24+,25?,26?,27?,28?,29?,31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	617	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
					More data for this Ligand-Target Pair