Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50259450'   

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))	BDBM50259450 ((1R,5S)-3-Acetyl-7-{4-[2-(2-methoxy-phenoxy)-ethox...) Show SMILES COc1ccccc1OCCOc1ccc(cc1)C1=C([C@H]2CN(C[C@@H](C1)N2)C(C)=O)C(=O)N(Cc1cccc(Cl)c1Cl)C1CC1 |r,t:20,TLB:15:18:26:22.21.23,27:22:26:19.18.25,THB:30:19:26:22.21.23| Show InChI InChI=1S/C35H37Cl2N3O5/c1-22(41)39-20-25-18-28(23-10-14-27(15-11-23)44-16-17-45-32-9-4-3-8-31(32)43-2)33(30(21-39)38-25)35(42)40(26-12-13-26)19-24-6-5-7-29(36)34(24)37/h3-11,14-15,25-26,30,38H,12-13,16-21H2,1-2H3/t25-,30-/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	6.60	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				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50259450 ((1R,5S)-3-Acetyl-7-{4-[2-(2-methoxy-phenoxy)-ethox...) Show SMILES COc1ccccc1OCCOc1ccc(cc1)C1=C([C@H]2CN(C[C@@H](C1)N2)C(C)=O)C(=O)N(Cc1cccc(Cl)c1Cl)C1CC1 |r,t:20,TLB:15:18:26:22.21.23,27:22:26:19.18.25,THB:30:19:26:22.21.23| Show InChI InChI=1S/C35H37Cl2N3O5/c1-22(41)39-20-25-18-28(23-10-14-27(15-11-23)44-16-17-45-32-9-4-3-8-31(32)43-2)33(30(21-39)38-25)35(42)40(26-12-13-26)19-24-6-5-7-29(36)34(24)37/h3-11,14-15,25-26,30,38H,12-13,16-21H2,1-2H3/t25-,30-/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	415	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)