Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50328872'   

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))	BDBM50328872 ((3R,4S)-N-(2-chloro-5-(2-(cyclopropylamino)-2-oxoe...) Show SMILES Cc1cc(Cl)c(OCCOc2ccc(cc2)[C@H]2CCNC[C@@H]2C(=O)N(Cc2cc(CC(=O)NC3CC3)ccc2Cl)C2CC2)c(Cl)c1 |r| Show InChI InChI=1S/C36H40Cl3N3O4/c1-22-16-32(38)35(33(39)17-22)46-15-14-45-28-9-3-24(4-10-28)29-12-13-40-20-30(29)36(44)42(27-7-8-27)21-25-18-23(2-11-31(25)37)19-34(43)41-26-5-6-26/h2-4,9-11,16-18,26-27,29-30,40H,5-8,12-15,19-21H2,1H3,(H,41,43)/t29-,30+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of renin in plasma				Bioorg Med Chem Lett 20: 6286-90 (2010) Article DOI: 10.1016/j.bmcl.2010.08.086 BindingDB Entry DOI: 10.7270/Q2WD40T3
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50328872 ((3R,4S)-N-(2-chloro-5-(2-(cyclopropylamino)-2-oxoe...) Show SMILES Cc1cc(Cl)c(OCCOc2ccc(cc2)[C@H]2CCNC[C@@H]2C(=O)N(Cc2cc(CC(=O)NC3CC3)ccc2Cl)C2CC2)c(Cl)c1 |r| Show InChI InChI=1S/C36H40Cl3N3O4/c1-22-16-32(38)35(33(39)17-22)46-15-14-45-28-9-3-24(4-10-28)29-12-13-40-20-30(29)36(44)42(27-7-8-27)21-25-18-23(2-11-31(25)37)19-34(43)41-26-5-6-26/h2-4,9-11,16-18,26-27,29-30,40H,5-8,12-15,19-21H2,1H3,(H,41,43)/t29-,30+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of renin in plasma				Bioorg Med Chem Lett 20: 6286-90 (2010) Article DOI: 10.1016/j.bmcl.2010.08.086 BindingDB Entry DOI: 10.7270/Q2WD40T3
					More data for this Ligand-Target Pair