Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM18337'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Renin (Homo sapiens (Human))	BDBM18337 ((2S,4S,5S,7S)-5-amino-N-[2,2-dimethyl-2-(methylcar...) Show SMILES CNC(=O)C(C)(C)CNC(=O)[C@@H](C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C)C(C)C |r| Show InChI InChI=1S/C31H55N3O6/c1-20(2)23(15-22-11-12-27(39-9)28(16-22)40-14-10-13-38-8)17-25(32)26(35)18-24(21(3)4)29(36)34-19-31(5,6)30(37)33-7/h11-12,16,20-21,23-26,35H,10,13-15,17-19,32H2,1-9H3,(H,33,37)(H,34,36)/t23-,24-,25-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4832-44 (2007) Article DOI: 10.1021/jm070316i BindingDB Entry DOI: 10.7270/Q2GQ6W1P
					More data for this Ligand-Target Pair				3D Structure (docked)