Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50014051'   

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))	BDBM50014051 (CHEMBL273771 | {1-[1-[1-Cyclohexylmethyl-2-(1-ethy...) Show SMILES CCN1C[C@H](NC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C34H51N7O6/c1-5-41-20-28(39-32(41)45)29(42)25(16-22-12-8-6-9-13-22)37-31(44)27(18-24-19-35-21-36-24)38-30(43)26(17-23-14-10-7-11-15-23)40-33(46)47-34(2,3)4/h7,10-11,14-15,19,21-22,25-29,42H,5-6,8-9,12-13,16-18,20H2,1-4H3,(H,35,36)(H,37,44)(H,38,43)(H,39,45)(H,40,46)/t25-,26-,27-,28-,29+/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	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of purified human renal renin.				J Med Chem 33: 1582-90 (1990) BindingDB Entry DOI: 10.7270/Q2NK3D0G
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50014051 (CHEMBL273771 | {1-[1-[1-Cyclohexylmethyl-2-(1-ethy...) Show SMILES CCN1C[C@H](NC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C34H51N7O6/c1-5-41-20-28(39-32(41)45)29(42)25(16-22-12-8-6-9-13-22)37-31(44)27(18-24-19-35-21-36-24)38-30(43)26(17-23-14-10-7-11-15-23)40-33(46)47-34(2,3)4/h7,10-11,14-15,19,21-22,25-29,42H,5-6,8-9,12-13,16-18,20H2,1-4H3,(H,35,36)(H,37,44)(H,38,43)(H,39,45)(H,40,46)/t25-,26-,27-,28-,29+/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	11	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of human plasma renin.				J Med Chem 33: 1582-90 (1990) BindingDB Entry DOI: 10.7270/Q2NK3D0G
					More data for this Ligand-Target Pair