Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50003185'   

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))	BDBM50003185 ((diastereomer-1) [1-(6-Cyclohexylmethyl-7-hydroxy-...) Show SMILES CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N[C@H]1COC(=O)CCCC(CN2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O Show InChI InChI=1S/C37H56N4O10/c1-37(2,3)51-36(47)40-29(22-26-13-8-5-9-14-26)33(44)39-30-24-49-31(42)16-10-15-27(23-41-17-19-48-20-18-41)50-35(46)32(43)28(38-34(30)45)21-25-11-6-4-7-12-25/h5,8-9,13-14,25,27-30,32,43H,4,6-7,10-12,15-24H2,1-3H3,(H,38,45)(H,39,44)(H,40,47)/t27?,28-,29?,30-,32+/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	170	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))	BDBM50003185 ((diastereomer-1) [1-(6-Cyclohexylmethyl-7-hydroxy-...) Show SMILES CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N[C@H]1COC(=O)CCCC(CN2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O Show InChI InChI=1S/C37H56N4O10/c1-37(2,3)51-36(47)40-29(22-26-13-8-5-9-14-26)33(44)39-30-24-49-31(42)16-10-15-27(23-41-17-19-48-20-18-41)50-35(46)32(43)28(38-34(30)45)21-25-11-6-4-7-12-25/h5,8-9,13-14,25,27-30,32,43H,4,6-7,10-12,15-24H2,1-3H3,(H,38,45)(H,39,44)(H,40,47)/t27?,28-,29?,30-,32+/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	170	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