Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50328906'   

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))	BDBM50328906 ((3R,4S)-N-(5-(2-acetamidoethyl)-2-chlorobenzyl)-N-...) Show SMILES CC(=O)NCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)nc2)c1 |r| Show InChI InChI=1S/C34H39Cl3N4O4/c1-21-15-30(36)33(31(37)16-21)45-14-13-44-32-8-4-24(18-40-32)27-10-11-38-19-28(27)34(43)41(26-5-6-26)20-25-17-23(3-7-29(25)35)9-12-39-22(2)42/h3-4,7-8,15-18,26-28,38H,5-6,9-14,19-20H2,1-2H3,(H,39,42)/t27-,28+/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	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of renin in buffer				Bioorg Med Chem Lett 20: 6291-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.087 BindingDB Entry DOI: 10.7270/Q2H70G2C
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50328906 ((3R,4S)-N-(5-(2-acetamidoethyl)-2-chlorobenzyl)-N-...) Show SMILES CC(=O)NCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)nc2)c1 |r| Show InChI InChI=1S/C34H39Cl3N4O4/c1-21-15-30(36)33(31(37)16-21)45-14-13-44-32-8-4-24(18-40-32)27-10-11-38-19-28(27)34(43)41(26-5-6-26)20-25-17-23(3-7-29(25)35)9-12-39-22(2)42/h3-4,7-8,15-18,26-28,38H,5-6,9-14,19-20H2,1-2H3,(H,39,42)/t27-,28+/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	0.900	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: 6291-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.087 BindingDB Entry DOI: 10.7270/Q2H70G2C
					More data for this Ligand-Target Pair				3D Structure (docked)