Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50421765'   

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))	BDBM50421765 (CHEMBL3142334 | CHEMBL73705) Show SMILES COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C |r| Show InChI InChI=1S/C37H61N5O11/c1-21(2)15-25(29(44)18-31(46)38-23(5)33(48)39-26(16-22(3)4)30(45)19-32(47)52-9)40-35(50)28(20-43)41-34(49)27(17-24-13-11-10-12-14-24)42-36(51)53-37(6,7)8/h10-14,21-23,25-30,43-45H,15-20H2,1-9H3,(H,38,46)(H,39,48)(H,40,50)(H,41,49)(H,42,51)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	437	n/a	n/a	n/a	n/a	n/a	n/a
SANOFI Recherche Curated by ChEMBL					Assay Description Inhibition of human plasma renin				J Med Chem 30: 2287-91 (1988) BindingDB Entry DOI: 10.7270/Q2D50P7G
					More data for this Ligand-Target Pair