BDBM132200 USRE45173, 139A

SMILES: Cc1ccncc1-n1ccn(-c2ccc3sccc3c2)c1=O

InChI Key: InChIKey=DPCCOLGRQDTVPS-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 = 132200   

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))	BDBM132200 (USRE45173, 139A) Show SMILES Cc1ccncc1-n1ccn(-c2ccc3sccc3c2)c1=O Show InChI InChI=1S/C17H13N3OS/c1-12-4-6-18-11-15(12)20-8-7-19(17(20)21)14-2-3-16-13(10-14)5-9-22-16/h2-11H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	83	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