Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Type-1 angiotensin II receptor' and Ligand = 'BDBM50284665'   

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
Type-1 angiotensin II receptor (RABBIT)	BDBM50284665 (4-Methylsulfanyl-N-{3-[2'-(1-methyl-1H-tetrazol-5-...) Show SMILES CCCCCN(C(=O)c1ccc(SC)cc1)c1ccc2ncn(Cc3ccc(cc3)-c3ccccc3-c3nnnn3C)c(=O)c2c1 Show InChI InChI=1S/C36H35N7O2S/c1-4-5-8-21-43(35(44)27-15-18-29(46-3)19-16-27)28-17-20-33-32(22-28)36(45)42(24-37-33)23-25-11-13-26(14-12-25)30-9-6-7-10-31(30)34-38-39-40-41(34)2/h6-7,9-20,22,24H,4-5,8,21,23H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against AT1 receptor in rabbit aorta				Bioorg Med Chem Lett 5: 1359-1364 (1995) Article DOI: 10.1016/0960-894X(95)00224-H BindingDB Entry DOI: 10.7270/Q2086589
					More data for this Ligand-Target Pair