BDBM50075390 CHEMBL3415123

SMILES: [H][C@@]12CC=C(n3cncn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C

InChI Key: InChIKey=OPPZNEHAUJDDQH-OEUJLIAZSA-N

Data: 1 KI  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 2 hits for monomerid = 50075390   

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))	BDBM50075390 (CHEMBL3415123) Show SMILES [H][C@@]12CC=C(n3cncn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:3,23| Show InChI InChI=1S/C21H27N3O/c1-20-9-7-15(25)11-14(20)3-4-16-17-5-6-19(24-13-22-12-23-24)21(17,2)10-8-18(16)20/h6,11-13,16-18H,3-5,7-10H2,1-2H3/t16-,17-,18-,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	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition of human CYP17 using 17alpha-hydroxypregnenolone substrate				J Med Chem 58: 2077-87 (2015) Article DOI: 10.1021/jm501239f BindingDB Entry DOI: 10.7270/Q2MS3VFF
					More data for this Ligand-Target Pair
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM50075390 (CHEMBL3415123) Show SMILES [H][C@@]12CC=C(n3cncn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:3,23| Show InChI InChI=1S/C21H27N3O/c1-20-9-7-15(25)11-14(20)3-4-16-17-5-6-19(24-13-22-12-23-24)21(17,2)10-8-18(16)20/h6,11-13,16-18H,3-5,7-10H2,1-2H3/t16-,17-,18-,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	55	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition of human CYP17 using 17alpha-hydroxypregnenolone substrate				J Med Chem 58: 2077-87 (2015) Article DOI: 10.1021/jm501239f BindingDB Entry DOI: 10.7270/Q2MS3VFF
					More data for this Ligand-Target Pair