Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50259421'   

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))	BDBM50259421 ((1R,5S)-3-Acetyl-7-{4-[3-(2-methoxy-benzyloxy)-pro...) Show SMILES COc1ccccc1COCCCOc1ccc(cc1)C1=C([C@H]2CN(C[C@@H](C1)N2)C(C)=O)C(=O)N(C)Cc1ccccc1Cl |r,t:22,TLB:29:24:28:21.20.27,17:20:28:24.23.25,THB:32:21:28:24.23.25| Show InChI InChI=1S/C35H40ClN3O5/c1-24(40)39-21-28-19-30(34(32(22-39)37-28)35(41)38(2)20-26-9-4-6-11-31(26)36)25-13-15-29(16-14-25)44-18-8-17-43-23-27-10-5-7-12-33(27)42-3/h4-7,9-16,28,32,37H,8,17-23H2,1-3H3/t28-,32-/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	3.20	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))	BDBM50259421 ((1R,5S)-3-Acetyl-7-{4-[3-(2-methoxy-benzyloxy)-pro...) Show SMILES COc1ccccc1COCCCOc1ccc(cc1)C1=C([C@H]2CN(C[C@@H](C1)N2)C(C)=O)C(=O)N(C)Cc1ccccc1Cl |r,t:22,TLB:29:24:28:21.20.27,17:20:28:24.23.25,THB:32:21:28:24.23.25| Show InChI InChI=1S/C35H40ClN3O5/c1-24(40)39-21-28-19-30(34(32(22-39)37-28)35(41)38(2)20-26-9-4-6-11-31(26)36)25-13-15-29(16-14-25)44-18-8-17-43-23-27-10-5-7-12-33(27)42-3/h4-7,9-16,28,32,37H,8,17-23H2,1-3H3/t28-,32-/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