Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50311797'   

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))	BDBM50311797 (8-(4-(3-(2-chloro-3,6-difluorophenoxy)propyl)pheny...) Show SMILES Fc1ccc(F)c(OCCCc2ccc(cc2)C2=C(CNCC22CC2)C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)c1Cl |t:18| Show InChI InChI=1S/C33H31Cl3F2N2O2/c34-25-5-1-4-22(29(25)35)18-40(23-10-11-23)32(41)24-17-39-19-33(14-15-33)28(24)21-8-6-20(7-9-21)3-2-16-42-31-27(38)13-12-26(37)30(31)36/h1,4-9,12-13,23,39H,2-3,10-11,14-19H2	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	34	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))	BDBM50311797 (8-(4-(3-(2-chloro-3,6-difluorophenoxy)propyl)pheny...) Show SMILES Fc1ccc(F)c(OCCCc2ccc(cc2)C2=C(CNCC22CC2)C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)c1Cl |t:18| Show InChI InChI=1S/C33H31Cl3F2N2O2/c34-25-5-1-4-22(29(25)35)18-40(23-10-11-23)32(41)24-17-39-19-33(14-15-33)28(24)21-8-6-20(7-9-21)3-2-16-42-31-27(38)13-12-26(37)30(31)36/h1,4-9,12-13,23,39H,2-3,10-11,14-19H2	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	4.00E+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