Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50259422'   

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))	BDBM50259422 ((1R,5S)-7-{4-[3-(2-Methoxy-benzyloxy)-propoxy]-phe...) Show SMILES COc1ccccc1COCCCOc1ccc(cc1)C1=C([C@H]2CN(C)C[C@@H](C1)N2)C(=O)N(C)Cc1ccccc1Cl |r,t:22,TLB:25:24:29:21.20.28,17:20:29:24.23.26,THB:30:21:29:24.23.26| Show InChI InChI=1S/C34H40ClN3O4/c1-37-21-27-19-29(33(31(22-37)36-27)34(39)38(2)20-25-9-4-6-11-30(25)35)24-13-15-28(16-14-24)42-18-8-17-41-23-26-10-5-7-12-32(26)40-3/h4-7,9-16,27,31,36H,8,17-23H2,1-3H3/t27-,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	5.20	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))	BDBM50259422 ((1R,5S)-7-{4-[3-(2-Methoxy-benzyloxy)-propoxy]-phe...) Show SMILES COc1ccccc1COCCCOc1ccc(cc1)C1=C([C@H]2CN(C)C[C@@H](C1)N2)C(=O)N(C)Cc1ccccc1Cl |r,t:22,TLB:25:24:29:21.20.28,17:20:29:24.23.26,THB:30:21:29:24.23.26| Show InChI InChI=1S/C34H40ClN3O4/c1-37-21-27-19-29(33(31(22-37)36-27)34(39)38(2)20-25-9-4-6-11-30(25)35)24-13-15-28(16-14-24)42-18-8-17-41-23-26-10-5-7-12-32(26)40-3/h4-7,9-16,27,31,36H,8,17-23H2,1-3H3/t27-,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	86	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