Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50365569'   

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))	BDBM50365569 (CHEMBL1957796) Show SMILES CC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@]22OC(=O)c3cc(F)c(F)cc23)c(C)c1 |r| Show InChI InChI=1S/C29H28F2N2O3/c1-17-13-20(22-6-4-3-5-19(22)9-11-33-18(2)34)7-8-21(17)25-16-32-12-10-29(25)24-15-27(31)26(30)14-23(24)28(35)36-29/h3-8,13-15,25,32H,9-12,16H2,1-2H3,(H,33,34)/t25-,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	0.140	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))	BDBM50365569 (CHEMBL1957796) Show SMILES CC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@]22OC(=O)c3cc(F)c(F)cc23)c(C)c1 |r| Show InChI InChI=1S/C29H28F2N2O3/c1-17-13-20(22-6-4-3-5-19(22)9-11-33-18(2)34)7-8-21(17)25-16-32-12-10-29(25)24-15-27(31)26(30)14-23(24)28(35)36-29/h3-8,13-15,25,32H,9-12,16H2,1-2H3,(H,33,34)/t25-,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	1.60	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