BDBM50409043 CHEMBL2112775

SMILES: C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@]2(O)[C@H]1CN1

InChI Key: InChIKey=VBMIJDAPYHXEHL-YRWKUUEZSA-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 = 50409043   

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))	BDBM50409043 (CHEMBL2112775) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@]2(O)[C@H]1CN1 |r,t:7| Show InChI InChI=1S/C21H33NO2/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,24)18-12-22-18/h3,14-18,22-24H,4-12H2,1-2H3/t14-,15+,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	PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of the Saarland Curated by ChEMBL					Assay Description Tested for inhibitory activity against Cytochrome P450 17 from human testicular microsomes				J Med Chem 43: 4437-45 (2000) BindingDB Entry DOI: 10.7270/Q25H7FH3
					More data for this Ligand-Target Pair
Cytochrome P450 17A1 (Rattus norvegicus (Rat))	BDBM50409043 (CHEMBL2112775) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@]2(O)[C@H]1CN1 |r,t:7| Show InChI InChI=1S/C21H33NO2/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,24)18-12-22-18/h3,14-18,22-24H,4-12H2,1-2H3/t14-,15+,16-,17-,18+,19-,20-,21-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.25E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of the Saarland Curated by ChEMBL					Assay Description Tested for inhibitory activity against Cytochrome P450 17 from rat testicular microsomes				J Med Chem 43: 4437-45 (2000) BindingDB Entry DOI: 10.7270/Q25H7FH3
					More data for this Ligand-Target Pair