Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM18335'   

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))	BDBM18335 ((2S,4S,5S,7S)-5-amino-4-hydroxy-7-{[4-methoxy-3-(3...) Show SMILES CNC(=O)[C@@H](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/C30H53N3O6/c1-19(2)23(14-22-10-11-27(38-8)28(15-22)39-13-9-12-37-7)16-25(31)26(34)17-24(20(3)4)30(36)33-18-21(5)29(35)32-6/h10-11,15,19-21,23-26,34H,9,12-14,16-18,31H2,1-8H3,(H,32,35)(H,33,36)/t21-,23-,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	1	n/a	n/a	n/a	n/a	7.2	37
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)