Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50365570'   

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))	BDBM50365570 (CHEMBL1957788) Show SMILES CC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c(C)c1 |r| Show InChI InChI=1S/C29H30F2N2O2/c1-18-13-21(24-6-4-3-5-20(24)9-11-33-19(2)34)7-8-23(18)26-16-32-12-10-29(26)25-15-28(31)27(30)14-22(25)17-35-29/h3-8,13-15,26,32H,9-12,16-17H2,1-2H3,(H,33,34)/t26-,29+/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	0.170	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))	BDBM50365570 (CHEMBL1957788) Show SMILES CC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c(C)c1 |r| Show InChI InChI=1S/C29H30F2N2O2/c1-18-13-21(24-6-4-3-5-20(24)9-11-33-19(2)34)7-8-23(18)26-16-32-12-10-29(26)25-15-28(31)27(30)14-22(25)17-35-29/h3-8,13-15,26,32H,9-12,16-17H2,1-2H3,(H,33,34)/t26-,29+/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	1.30	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