Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50014060'   

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))	BDBM50014060 (CHEMBL288346 | {1-[1-{1-Cyclohexylmethyl-2-hydroxy...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H]1CN(CCO)C(=O)O1 Show InChI InChI=1S/C34H50N6O8/c1-34(2,3)48-32(45)39-26(17-23-12-8-5-9-13-23)30(43)38-27(18-24-19-35-21-36-24)31(44)37-25(16-22-10-6-4-7-11-22)29(42)28-20-40(14-15-41)33(46)47-28/h5,8-9,12-13,19,21-22,25-29,41-42H,4,6-7,10-11,14-18,20H2,1-3H3,(H,35,36)(H,37,44)(H,38,43)(H,39,45)/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	0.700	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))	BDBM50014060 (CHEMBL288346 | {1-[1-{1-Cyclohexylmethyl-2-hydroxy...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H]1CN(CCO)C(=O)O1 Show InChI InChI=1S/C34H50N6O8/c1-34(2,3)48-32(45)39-26(17-23-12-8-5-9-13-23)30(43)38-27(18-24-19-35-21-36-24)31(44)37-25(16-22-10-6-4-7-11-22)29(42)28-20-40(14-15-41)33(46)47-28/h5,8-9,12-13,19,21-22,25-29,41-42H,4,6-7,10-11,14-18,20H2,1-3H3,(H,35,36)(H,37,44)(H,38,43)(H,39,45)/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	7.40	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