Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50311798'   

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))	BDBM50311798 (4-(4-(3-(2-chloro-3,6-difluorophenoxy)propyl)pheny...) Show SMILES Fc1ccc(F)c(OCCCc2ccc(cc2)C2=C(CNCC2)C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)c1Cl |t:18| Show InChI InChI=1S/C31H29Cl3F2N2O2/c32-25-5-1-4-21(28(25)33)18-38(22-10-11-22)31(39)24-17-37-15-14-23(24)20-8-6-19(7-9-20)3-2-16-40-30-27(36)13-12-26(35)29(30)34/h1,4-9,12-13,22,37H,2-3,10-11,14-18H2	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	1.20	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))	BDBM50311798 (4-(4-(3-(2-chloro-3,6-difluorophenoxy)propyl)pheny...) Show SMILES Fc1ccc(F)c(OCCCc2ccc(cc2)C2=C(CNCC2)C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)c1Cl |t:18| Show InChI InChI=1S/C31H29Cl3F2N2O2/c32-25-5-1-4-21(28(25)33)18-38(22-10-11-22)31(39)24-17-37-15-14-23(24)20-8-6-19(7-9-20)3-2-16-40-30-27(36)13-12-26(35)29(30)34/h1,4-9,12-13,22,37H,2-3,10-11,14-18H2	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	53	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