Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50327284'   

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))	BDBM50327284 (3-(4-(2-(2,6-dichloro-4-methylphenoxy)ethoxy)pheny...) Show SMILES Cc1cc(Cl)c(OCCOc2ccc(CC(CN)c3ccc(cc3Cl)-c3ccccc3Cl)cc2)c(Cl)c1 Show InChI InChI=1S/C30H27Cl4NO2/c1-19-14-28(33)30(29(34)15-19)37-13-12-36-23-9-6-20(7-10-23)16-22(18-35)25-11-8-21(17-27(25)32)24-4-2-3-5-26(24)31/h2-11,14-15,17,22H,12-13,16,18,35H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.520	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Center for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in phosphate buffer				Bioorg Med Chem Lett 20: 5822-6 (2010) Article DOI: 10.1016/j.bmcl.2010.07.127 BindingDB Entry DOI: 10.7270/Q2ZP46BP
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50327284 (3-(4-(2-(2,6-dichloro-4-methylphenoxy)ethoxy)pheny...) Show SMILES Cc1cc(Cl)c(OCCOc2ccc(CC(CN)c3ccc(cc3Cl)-c3ccccc3Cl)cc2)c(Cl)c1 Show InChI InChI=1S/C30H27Cl4NO2/c1-19-14-28(33)30(29(34)15-19)37-13-12-36-23-9-6-20(7-10-23)16-22(18-35)25-11-8-21(17-27(25)32)24-4-2-3-5-26(24)31/h2-11,14-15,17,22H,12-13,16,18,35H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	764	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Center for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in plasma				Bioorg Med Chem Lett 20: 5822-6 (2010) Article DOI: 10.1016/j.bmcl.2010.07.127 BindingDB Entry DOI: 10.7270/Q2ZP46BP
					More data for this Ligand-Target Pair