Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50259418'   

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))	BDBM50259418 ((1R,5S)-3-[2-(4-Chloro-phenyl)-acetyl]-7{4-[3-(2-m...) Show SMILES COc1ccccc1COCCCOc1ccc(cc1)C1=C([C@H]2CN(C[C@@H](C1)N2)C(=O)Cc1ccc(Cl)cc1)C(=O)N(C)Cc1ccccc1Cl |r,t:22,TLB:17:20:28:24.23.25,29:24:28:21.20.27,THB:39:21:28:24.23.25| Show InChI InChI=1S/C41H43Cl2N3O5/c1-45(24-30-8-3-5-10-36(30)43)41(48)40-35(23-33-25-46(26-37(40)44-33)39(47)22-28-12-16-32(42)17-13-28)29-14-18-34(19-15-29)51-21-7-20-50-27-31-9-4-6-11-38(31)49-2/h3-6,8-19,33,37,44H,7,20-27H2,1-2H3/t33-,37-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	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))	BDBM50259418 ((1R,5S)-3-[2-(4-Chloro-phenyl)-acetyl]-7{4-[3-(2-m...) Show SMILES COc1ccccc1COCCCOc1ccc(cc1)C1=C([C@H]2CN(C[C@@H](C1)N2)C(=O)Cc1ccc(Cl)cc1)C(=O)N(C)Cc1ccccc1Cl |r,t:22,TLB:17:20:28:24.23.25,29:24:28:21.20.27,THB:39:21:28:24.23.25| Show InChI InChI=1S/C41H43Cl2N3O5/c1-45(24-30-8-3-5-10-36(30)43)41(48)40-35(23-33-25-46(26-37(40)44-33)39(47)22-28-12-16-32(42)17-13-28)29-14-18-34(19-15-29)51-21-7-20-50-27-31-9-4-6-11-38(31)49-2/h3-6,8-19,33,37,44H,7,20-27H2,1-2H3/t33-,37-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	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