BDBM50407979 CHEMBL2112755

SMILES: CC(=O)[C@@]1(Br)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

InChI Key: InChIKey=OWLZRDQECRPHDO-TVWVXWENSA-N

Data: 2 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 2 hits for monomerid = 50407979   

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))	BDBM50407979 (CHEMBL2112755) Show SMILES CC(=O)[C@@]1(Br)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |t:10| Show InChI InChI=1S/C21H31BrO2/c1-13(23)21(22)11-8-18-16-5-4-14-12-15(24)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,24H,5-12H2,1-3H3/t15-,16+,17-,18-,19-,20-,21-/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	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition of human testicular steroid 17-alpha-hydroxylase				J Med Chem 39: 4335-9 (1996) Article DOI: 10.1021/jm960245f BindingDB Entry DOI: 10.7270/Q2P84B07
					More data for this Ligand-Target Pair
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM50407979 (CHEMBL2112755) Show SMILES CC(=O)[C@@]1(Br)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |t:10| Show InChI InChI=1S/C21H31BrO2/c1-13(23)21(22)11-8-18-16-5-4-14-12-15(24)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,24H,5-12H2,1-3H3/t15-,16+,17-,18-,19-,20-,21-/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	970	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition of human testicular 17-alpha-hydroxylase				J Med Chem 39: 4335-9 (1996) Article DOI: 10.1021/jm960245f BindingDB Entry DOI: 10.7270/Q2P84B07
					More data for this Ligand-Target Pair