Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50014079'   

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))	BDBM50014079 ((R)-2-Benzyl-N*1*-[(S)-1-[(1S,2R)-1-cyclohexylmeth...) Show SMILES CCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N(C)CCO)Cc1ccccc1 Show InChI InChI=1S/C34H50N6O7/c1-3-40-21-29(47-34(40)46)31(43)27(17-24-12-8-5-9-13-24)37-33(45)28(19-26-20-35-22-36-26)38-32(44)25(16-23-10-6-4-7-11-23)18-30(42)39(2)14-15-41/h4,6-7,10-11,20,22,24-25,27-29,31,41,43H,3,5,8-9,12-19,21H2,1-2H3,(H,35,36)(H,37,45)(H,38,44)/t25-,27+,28+,29+,31-/m1/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	0.850	n/a	n/a	n/a	n/a	6.5	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against purified human renal renin at pH 6.5				J Med Chem 33: 1962-9 (1990) BindingDB Entry DOI: 10.7270/Q2KW5GN2
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50014079 ((R)-2-Benzyl-N*1*-[(S)-1-[(1S,2R)-1-cyclohexylmeth...) Show SMILES CCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N(C)CCO)Cc1ccccc1 Show InChI InChI=1S/C34H50N6O7/c1-3-40-21-29(47-34(40)46)31(43)27(17-24-12-8-5-9-13-24)37-33(45)28(19-26-20-35-22-36-26)38-32(44)25(16-23-10-6-4-7-11-23)18-30(42)39(2)14-15-41/h4,6-7,10-11,20,22,24-25,27-29,31,41,43H,3,5,8-9,12-19,21H2,1-2H3,(H,35,36)(H,37,45)(H,38,44)/t25-,27+,28+,29+,31-/m1/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	2.5	n/a	n/a	n/a	n/a	7.4	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human plasma renin at pH 7.4				J Med Chem 33: 1962-9 (1990) BindingDB Entry DOI: 10.7270/Q2KW5GN2
					More data for this Ligand-Target Pair