Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50365571'   

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))	BDBM50365571 (CHEMBL1957789) Show SMILES COCC(F)(F)COCc1ccc(cc1)[C@@]1(O)CCNC[C@@H]1c1ccc(cc1C)-c1ccccc1CCNC(C)=O |r| Show InChI InChI=1S/C33H40F2N2O4/c1-23-18-27(30-7-5-4-6-26(30)14-16-37-24(2)38)10-13-29(23)31-19-36-17-15-33(31,39)28-11-8-25(9-12-28)20-41-22-32(34,35)21-40-3/h4-13,18,31,36,39H,14-17,19-22H2,1-3H3,(H,37,38)/t31-,33+/m1/s1	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	0.0800	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 using DNP-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-D,L-Amp as substrate after 3 hrs by fluorimetry				Bioorg Med Chem Lett 22: 1953-7 (2012) Article DOI: 10.1016/j.bmcl.2012.01.044 BindingDB Entry DOI: 10.7270/Q22F7NXB
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50365571 (CHEMBL1957789) Show SMILES COCC(F)(F)COCc1ccc(cc1)[C@@]1(O)CCNC[C@@H]1c1ccc(cc1C)-c1ccccc1CCNC(C)=O |r| Show InChI InChI=1S/C33H40F2N2O4/c1-23-18-27(30-7-5-4-6-26(30)14-16-37-24(2)38)10-13-29(23)31-19-36-17-15-33(31,39)28-11-8-25(9-12-28)20-41-22-32(34,35)21-40-3/h4-13,18,31,36,39H,14-17,19-22H2,1-3H3,(H,37,38)/t31-,33+/m1/s1	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	0.320	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 using QXL520-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-Lys-(5-FAM) as substrate preincubated for 10 mins prior to sub...				Bioorg Med Chem Lett 22: 1953-7 (2012) Article DOI: 10.1016/j.bmcl.2012.01.044 BindingDB Entry DOI: 10.7270/Q22F7NXB
					More data for this Ligand-Target Pair