BDBM191346 US9181272, 116

SMILES: NC(=O)N1CCCc2cc(cnc12)-c1cncc(NCc2ccccc2)c1

InChI Key: InChIKey=VGEZWMWNOPCGID-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 = 191346   

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
Aldosterone Synthase (CYP11B2) (Cercopithecus sabaeus)	BDBM191346 (US9181272, 116) Show SMILES NC(=O)N1CCCc2cc(cnc12)-c1cncc(NCc2ccccc2)c1 Show InChI InChI=1S/C21H21N5O/c22-21(27)26-8-4-7-16-9-17(13-25-20(16)26)18-10-19(14-23-12-18)24-11-15-5-2-1-3-6-15/h1-3,5-6,9-10,12-14,24H,4,7-8,11H2,(H2,22,27)	MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.5	n/a	n/a	n/a	n/a	7.4	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondr...				US Patent US9181272 (2015) BindingDB Entry DOI: 10.7270/Q2VX0F93
					More data for this Ligand-Target Pair