Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50259419'   

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))	BDBM50259419 ((1R,5S)-7-{4-[3-(2-Methoxy-benzyloxy)-propoxy]-phe...) Show SMILES COc1ccccc1COCCCOc1ccc(cc1)C1=C([C@H]2CN(C[C@@H](C1)N2)S(=O)(=O)Cc1ccccc1)C(=O)N(C)Cc1ccccc1Cl |r,t:22,TLB:29:24:28:21.20.27,17:20:28:24.23.25,THB:39:21:28:24.23.25| Show InChI InChI=1S/C40H44ClN3O6S/c1-43(24-31-13-6-8-15-36(31)41)40(45)39-35(23-33-25-44(26-37(39)42-33)51(46,47)28-29-11-4-3-5-12-29)30-17-19-34(20-18-30)50-22-10-21-49-27-32-14-7-9-16-38(32)48-2/h3-9,11-20,33,37,42H,10,21-28H2,1-2H3/t33-,37-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80	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))	BDBM50259419 ((1R,5S)-7-{4-[3-(2-Methoxy-benzyloxy)-propoxy]-phe...) Show SMILES COc1ccccc1COCCCOc1ccc(cc1)C1=C([C@H]2CN(C[C@@H](C1)N2)S(=O)(=O)Cc1ccccc1)C(=O)N(C)Cc1ccccc1Cl |r,t:22,TLB:29:24:28:21.20.27,17:20:28:24.23.25,THB:39:21:28:24.23.25| Show InChI InChI=1S/C40H44ClN3O6S/c1-43(24-31-13-6-8-15-36(31)41)40(45)39-35(23-33-25-44(26-37(39)42-33)51(46,47)28-29-11-4-3-5-12-29)30-17-19-34(20-18-30)50-22-10-21-49-27-32-14-7-9-16-38(32)48-2/h3-9,11-20,33,37,42H,10,21-28H2,1-2H3/t33-,37-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	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