BDBM132141 USRE45173, 75A

SMILES: CC(=O)Nc1ccc(cn1)N1CCN(C1=O)c1cnccc1C

InChI Key: InChIKey=MVWNGOVAJMONFD-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 = 132141   

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))	BDBM132141 (USRE45173, 75A) Show SMILES CC(=O)Nc1ccc(cn1)N1CCN(C1=O)c1cnccc1C Show InChI InChI=1S/C16H17N5O2/c1-11-5-6-17-10-14(11)21-8-7-20(16(21)23)13-3-4-15(18-9-13)19-12(2)22/h3-6,9-10H,7-8H2,1-2H3,(H,18,19,22)	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	>1.00E+4	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