Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50259462'   

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))	BDBM50259462 ((rac)-(1RS,5SR)-7-(4-{[(2-Chloro-3,6-difluoro-benz...) Show SMILES COc1cccc(CN(C2CC2)C(=O)C2=C(CC3CNCC2N3)c2ccc(CN(C)Cc3c(F)ccc(F)c3Cl)cc2)c1C |t:15,TLB:23:15:22:19.20.18,THB:12:14:22:19.20.18| Show InChI InChI=1S/C35H39ClF2N4O2/c1-21-24(5-4-6-32(21)44-3)19-42(26-11-12-26)35(43)33-27(15-25-16-39-17-31(33)40-25)23-9-7-22(8-10-23)18-41(2)20-28-29(37)13-14-30(38)34(28)36/h4-10,13-14,25-26,31,39-40H,11-12,15-20H2,1-3H3	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	2.90	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
Renin (Homo sapiens (Human))	BDBM50259462 ((rac)-(1RS,5SR)-7-(4-{[(2-Chloro-3,6-difluoro-benz...) Show SMILES COc1cccc(CN(C2CC2)C(=O)C2=C(CC3CNCC2N3)c2ccc(CN(C)Cc3c(F)ccc(F)c3Cl)cc2)c1C |t:15,TLB:23:15:22:19.20.18,THB:12:14:22:19.20.18| Show InChI InChI=1S/C35H39ClF2N4O2/c1-21-24(5-4-6-32(21)44-3)19-42(26-11-12-26)35(43)33-27(15-25-16-39-17-31(33)40-25)23-9-7-22(8-10-23)18-41(2)20-28-29(37)13-14-30(38)34(28)36/h4-10,13-14,25-26,31,39-40H,11-12,15-20H2,1-3H3	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	41	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