Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM18330'   

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))	BDBM18330 ((2S,4S,5S,7S)-5-amino-N-[2-(dimethylcarbamoyl)ethy...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCC(=O)N(C)C)C(C)C)ccc1OC |r| Show InChI InChI=1S/C30H53N3O6/c1-20(2)23(16-22-10-11-27(38-8)28(17-22)39-15-9-14-37-7)18-25(31)26(34)19-24(21(3)4)30(36)32-13-12-29(35)33(5)6/h10-11,17,20-21,23-26,34H,9,12-16,18-19,31H2,1-8H3,(H,32,36)/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	3	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)