Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50311796'   

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))	BDBM50311796 (4-(4-(3-(2-chloro-3,6-difluorophenoxy)propyl)pheny...) Show SMILES CC1(C)CNCC(C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)=C1c1ccc(CCCOc2c(F)ccc(F)c2Cl)cc1 |c:23| Show InChI InChI=1S/C33H33Cl3F2N2O2/c1-33(2)19-39-17-24(32(41)40(23-12-13-23)18-22-6-3-7-25(34)29(22)35)28(33)21-10-8-20(9-11-21)5-4-16-42-31-27(38)15-14-26(37)30(31)36/h3,6-11,14-15,23,39H,4-5,12-13,16-19H2,1-2H3	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	31	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))	BDBM50311796 (4-(4-(3-(2-chloro-3,6-difluorophenoxy)propyl)pheny...) Show SMILES CC1(C)CNCC(C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)=C1c1ccc(CCCOc2c(F)ccc(F)c2Cl)cc1 |c:23| Show InChI InChI=1S/C33H33Cl3F2N2O2/c1-33(2)19-39-17-24(32(41)40(23-12-13-23)18-22-6-3-7-25(34)29(22)35)28(33)21-10-8-20(9-11-21)5-4-16-42-31-27(38)15-14-26(37)30(31)36/h3,6-11,14-15,23,39H,4-5,12-13,16-19H2,1-2H3	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	2.00E+3	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