Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50355539'   

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))	BDBM50355539 (CHEMBL1910305) Show SMILES COCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c2c(F)ccc(CN3CCOCC3)c12 |r| Show InChI InChI=1S/C33H41F3N4O4/c1-43-14-2-11-39-20-23(30-28(35)7-3-22(31(30)39)19-38-12-15-44-16-13-38)21-40(25-5-6-25)32(41)26-18-37-10-9-33(26,42)24-4-8-27(34)29(36)17-24/h3-4,7-8,17,20,25-26,37,42H,2,5-6,9-16,18-19,21H2,1H3/t26-,33+/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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre 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 Q-FRET substrate after 3 hrs by fluorescence assay				Bioorg Med Chem Lett 21: 3976-81 (2011) Article DOI: 10.1016/j.bmcl.2011.05.014 BindingDB Entry DOI: 10.7270/Q21N81HN
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50355539 (CHEMBL1910305) Show SMILES COCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c2c(F)ccc(CN3CCOCC3)c12 |r| Show InChI InChI=1S/C33H41F3N4O4/c1-43-14-2-11-39-20-23(30-28(35)7-3-22(31(30)39)19-38-12-15-44-16-13-38)21-40(25-5-6-25)32(41)26-18-37-10-9-33(26,42)24-4-8-27(34)29(36)17-24/h3-4,7-8,17,20,25-26,37,42H,2,5-6,9-16,18-19,21H2,1H3/t26-,33+/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	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in human plasma using QXL520-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-Lys-(5-FAM) as Q-FRET substrate after 1 hr by ...				Bioorg Med Chem Lett 21: 3976-81 (2011) Article DOI: 10.1016/j.bmcl.2011.05.014 BindingDB Entry DOI: 10.7270/Q21N81HN
					More data for this Ligand-Target Pair