Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50003188'   

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))	BDBM50003188 ((diastereomer-1) [1-(6-Cyclohexylmethyl-10-dimethy...) Show SMILES CN(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/C35H54N4O9/c1-35(2,3)48-34(45)38-27(20-24-15-10-7-11-16-24)31(42)37-28-22-46-29(40)18-12-17-25(21-39(4)5)47-33(44)30(41)26(36-32(28)43)19-23-13-8-6-9-14-23/h7,10-11,15-16,23,25-28,30,41H,6,8-9,12-14,17-22H2,1-5H3,(H,36,43)(H,37,42)(H,38,45)/t25?,26-,27?,28-,30+/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	3.90	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))	BDBM50003188 ((diastereomer-1) [1-(6-Cyclohexylmethyl-10-dimethy...) Show SMILES CN(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/C35H54N4O9/c1-35(2,3)48-34(45)38-27(20-24-15-10-7-11-16-24)31(42)37-28-22-46-29(40)18-12-17-25(21-39(4)5)47-33(44)30(41)26(36-32(28)43)19-23-13-8-6-9-14-23/h7,10-11,15-16,23,25-28,30,41H,6,8-9,12-14,17-22H2,1-5H3,(H,36,43)(H,37,42)(H,38,45)/t25?,26-,27?,28-,30+/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	3.90	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