Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50402227'   

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))	BDBM50402227 (CHEMBL2204736) Show SMILES CC(C)CCNC(=O)[C@@H]1CNC[C@H](CN2CC(=O)N(CC2(C)C)c2ccccc2Cl)C1 |r| Show InChI InChI=1S/C24H37ClN4O2/c1-17(2)9-10-27-23(31)19-11-18(12-26-13-19)14-28-15-22(30)29(16-24(28,3)4)21-8-6-5-7-20(21)25/h5-8,17-19,26H,9-16H2,1-4H3,(H,27,31)/t18-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	406	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys(DABCYL)-Arg as substrate incubated for 10 mins...				Bioorg Med Chem Lett 22: 7677-82 (2012) Article DOI: 10.1016/j.bmcl.2012.09.103 BindingDB Entry DOI: 10.7270/Q2HD7WTK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Macaca fascicularis)	BDBM50402227 (CHEMBL2204736) Show SMILES CC(C)CCNC(=O)[C@@H]1CNC[C@H](CN2CC(=O)N(CC2(C)C)c2ccccc2Cl)C1 |r| Show InChI InChI=1S/C24H37ClN4O2/c1-17(2)9-10-27-23(31)19-11-18(12-26-13-19)14-28-15-22(30)29(16-24(28,3)4)21-8-6-5-7-20(21)25/h5-8,17-19,26H,9-16H2,1-4H3,(H,27,31)/t18-,19+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of renin in cynomolgus monkey plasma after 60 mins by competitive radioimmunoassay				Bioorg Med Chem Lett 22: 7677-82 (2012) Article DOI: 10.1016/j.bmcl.2012.09.103 BindingDB Entry DOI: 10.7270/Q2HD7WTK
					More data for this Ligand-Target Pair				3D Structure (crystal)