Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50003172'   

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))	BDBM50003172 ((diastereomer-1) {1-[6-Cyclohexylmethyl-10-(2,2-di...) Show SMILES CC(C)(C)CC1CCCC(=O)OC[C@H](NC(=O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)C(=O)O1 Show InChI InChI=1S/C37H57N3O9/c1-36(2,3)22-26-18-13-19-30(41)47-23-29(33(44)38-27(31(42)34(45)48-26)20-24-14-9-7-10-15-24)39-32(43)28(21-25-16-11-8-12-17-25)40-35(46)49-37(4,5)6/h8,11-12,16-17,24,26-29,31,42H,7,9-10,13-15,18-23H2,1-6H3,(H,38,44)(H,39,43)(H,40,46)/t26?,27-,28?,29-,31+/m0/s1	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	1.20E+3	n/a	n/a	n/a	n/a	7.4	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human renin inhibition (at pH 7.4)				J Med Chem 35: 3755-73 (1992) BindingDB Entry DOI: 10.7270/Q26W9BPZ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50003172 ((diastereomer-1) {1-[6-Cyclohexylmethyl-10-(2,2-di...) Show SMILES CC(C)(C)CC1CCCC(=O)OC[C@H](NC(=O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)C(=O)O1 Show InChI InChI=1S/C37H57N3O9/c1-36(2,3)22-26-18-13-19-30(41)47-23-29(33(44)38-27(31(42)34(45)48-26)20-24-14-9-7-10-15-24)39-32(43)28(21-25-16-11-8-12-17-25)40-35(46)49-37(4,5)6/h8,11-12,16-17,24,26-29,31,42H,7,9-10,13-15,18-23H2,1-6H3,(H,38,44)(H,39,43)(H,40,46)/t26?,27-,28?,29-,31+/m0/s1	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	1.20E+3	n/a	n/a	n/a	n/a	7.4	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human renin inhibition (at pH 7.4)				J Med Chem 35: 3755-73 (1992) BindingDB Entry DOI: 10.7270/Q26W9BPZ
					More data for this Ligand-Target Pair