Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50259420'   

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))	BDBM50259420 ((1R,5S)-7-{4-[3-(2-Methoxy-benzyloxy)-propoxy]-phe...) Show SMILES COc1ccccc1COCCCOc1ccc(cc1)C1=C([C@H]2CN(C[C@@H](C1)N2)C(=O)Cc1cccs1)C(=O)N(C)Cc1ccccc1Cl |r,t:22,TLB:29:24:28:21.20.27,17:20:28:24.23.25,THB:37:21:28:24.23.25| Show InChI InChI=1S/C39H42ClN3O5S/c1-42(23-28-9-3-5-12-34(28)40)39(45)38-33(21-30-24-43(25-35(38)41-30)37(44)22-32-11-7-20-49-32)27-14-16-31(17-15-27)48-19-8-18-47-26-29-10-4-6-13-36(29)46-2/h3-7,9-17,20,30,35,41H,8,18-19,21-26H2,1-2H3/t30-,35-/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	1.60	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))	BDBM50259420 ((1R,5S)-7-{4-[3-(2-Methoxy-benzyloxy)-propoxy]-phe...) Show SMILES COc1ccccc1COCCCOc1ccc(cc1)C1=C([C@H]2CN(C[C@@H](C1)N2)C(=O)Cc1cccs1)C(=O)N(C)Cc1ccccc1Cl |r,t:22,TLB:29:24:28:21.20.27,17:20:28:24.23.25,THB:37:21:28:24.23.25| Show InChI InChI=1S/C39H42ClN3O5S/c1-42(23-28-9-3-5-12-34(28)40)39(45)38-33(21-30-24-43(25-35(38)41-30)37(44)22-32-11-7-20-49-32)27-14-16-31(17-15-27)48-19-8-18-47-26-29-10-4-6-13-36(29)46-2/h3-7,9-17,20,30,35,41H,8,18-19,21-26H2,1-2H3/t30-,35-/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	278	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