Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50259440'   

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))	BDBM50259440 ((1R,5S)-3-Acetyl-7-{4-[3-(2-bromo-5-fluoro-phenoxy...) Show SMILES CC(=O)N1C[C@H]2CC(=C([C@@H](C1)N2)C(=O)N(Cc1cccc(Cl)c1Cl)C1CC1)c1ccc(CCCOc2cc(F)ccc2Br)cc1 |r,c:7| Show InChI InChI=1S/C35H35BrCl2FN3O3/c1-21(43)41-19-26-17-28(23-9-7-22(8-10-23)4-3-15-45-32-16-25(39)11-14-29(32)36)33(31(20-41)40-26)35(44)42(27-12-13-27)18-24-5-2-6-30(37)34(24)38/h2,5-11,14,16,26-27,31,40H,3-4,12-13,15,17-20H2,1H3/t26-,31-/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	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant rennin in buffer assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay				J Med Chem 52: 3689-702 (2009) Article DOI: 10.1021/jm900022f BindingDB Entry DOI: 10.7270/Q2PC3391
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50259440 ((1R,5S)-3-Acetyl-7-{4-[3-(2-bromo-5-fluoro-phenoxy...) Show SMILES CC(=O)N1C[C@H]2CC(=C([C@@H](C1)N2)C(=O)N(Cc1cccc(Cl)c1Cl)C1CC1)c1ccc(CCCOc2cc(F)ccc2Br)cc1 |r,c:7| Show InChI InChI=1S/C35H35BrCl2FN3O3/c1-21(43)41-19-26-17-28(23-9-7-22(8-10-23)4-3-15-45-32-16-25(39)11-14-29(32)36)33(31(20-41)40-26)35(44)42(27-12-13-27)18-24-5-2-6-30(37)34(24)38/h2,5-11,14,16,26-27,31,40H,3-4,12-13,15,17-20H2,1H3/t26-,31-/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	229	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant rennin in human plasma assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay				J Med Chem 52: 3689-702 (2009) Article DOI: 10.1021/jm900022f BindingDB Entry DOI: 10.7270/Q2PC3391
					More data for this Ligand-Target Pair				3D Structure (docked)