Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50311807'   

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))	BDBM50311807 ((1R,5R)-3-(4-(3-(2-chloro-3,6-difluorophenoxy)prop...) Show SMILES COc1cccc(CN(C2CC2)C(=O)C2=C(C[C@H]3CCC[C@H]2N3)c2ccc(CCCOc3c(F)ccc(F)c3Cl)cc2)c1C |r,t:15| Show InChI InChI=1S/C36H39ClF2N2O3/c1-22-25(7-3-10-32(22)43-2)21-41(27-15-16-27)36(42)33-28(20-26-8-4-9-31(33)40-26)24-13-11-23(12-14-24)6-5-19-44-35-30(39)18-17-29(38)34(35)37/h3,7,10-14,17-18,26-27,31,40H,4-6,8-9,15-16,19-21H2,1-2H3/t26-,31-/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	0.920	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of human rennin in buffer assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay				Bioorg Med Chem Lett 19: 6762-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.104 BindingDB Entry DOI: 10.7270/Q23F4PRP
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50311807 ((1R,5R)-3-(4-(3-(2-chloro-3,6-difluorophenoxy)prop...) Show SMILES COc1cccc(CN(C2CC2)C(=O)C2=C(C[C@H]3CCC[C@H]2N3)c2ccc(CCCOc3c(F)ccc(F)c3Cl)cc2)c1C |r,t:15| Show InChI InChI=1S/C36H39ClF2N2O3/c1-22-25(7-3-10-32(22)43-2)21-41(27-15-16-27)36(42)33-28(20-26-8-4-9-31(33)40-26)24-13-11-23(12-14-24)6-5-19-44-35-30(39)18-17-29(38)34(35)37/h3,7,10-14,17-18,26-27,31,40H,4-6,8-9,15-16,19-21H2,1-2H3/t26-,31-/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	101	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of human rennin in human plasma assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay				Bioorg Med Chem Lett 19: 6762-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.104 BindingDB Entry DOI: 10.7270/Q23F4PRP
					More data for this Ligand-Target Pair