BDBM132176 USRE45173, 115A

SMILES: Cc1ccncc1N1CCN(C1=O)c1cc2ccccc2n1C

InChI Key: InChIKey=YEWJSNCBOYMWKK-UHFFFAOYSA-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 = 132176   

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))	BDBM132176 (USRE45173, 115A) Show SMILES Cc1ccncc1N1CCN(C1=O)c1cc2ccccc2n1C Show InChI InChI=1S/C18H18N4O/c1-13-7-8-19-12-16(13)21-9-10-22(18(21)23)17-11-14-5-3-4-6-15(14)20(17)2/h3-8,11-12H,9-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	173	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...				US Patent USRE45173 (2014) BindingDB Entry DOI: 10.7270/Q2MW2FT2
					More data for this Ligand-Target Pair