Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50328917'   

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))	BDBM50328917 ((3R,4S)-N-((5-chloro-2-(3-methoxypropyl)pyridin-4-...) Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCc3cc(no3)-c3c(F)ccc(F)c3Cl)nc2)c(Cl)cn1 |r| Show InChI InChI=1S/C34H35Cl2F2N5O4/c1-45-12-2-3-22-13-21(27(35)17-40-22)18-43(23-5-6-23)34(44)26-16-39-11-10-25(26)20-4-9-31(41-15-20)46-19-24-14-30(42-47-24)32-28(37)7-8-29(38)33(32)36/h4,7-9,13-15,17,23,25-26,39H,2-3,5-6,10-12,16,18-19H2,1H3/t25-,26+/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	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of renin in buffer				Bioorg Med Chem Lett 20: 6291-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.087 BindingDB Entry DOI: 10.7270/Q2H70G2C
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50328917 ((3R,4S)-N-((5-chloro-2-(3-methoxypropyl)pyridin-4-...) Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCc3cc(no3)-c3c(F)ccc(F)c3Cl)nc2)c(Cl)cn1 |r| Show InChI InChI=1S/C34H35Cl2F2N5O4/c1-45-12-2-3-22-13-21(27(35)17-40-22)18-43(23-5-6-23)34(44)26-16-39-11-10-25(26)20-4-9-31(41-15-20)46-19-24-14-30(42-47-24)32-28(37)7-8-29(38)33(32)36/h4,7-9,13-15,17,23,25-26,39H,2-3,5-6,10-12,16,18-19H2,1H3/t25-,26+/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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of renin in plasma				Bioorg Med Chem Lett 20: 6291-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.087 BindingDB Entry DOI: 10.7270/Q2H70G2C
					More data for this Ligand-Target Pair