Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Type-1 angiotensin II receptor' and Ligand = 'BDBM50042566'   

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)	BDBM50042566 (5-Butyl-2-(2,6-dichloro-phenyl)-4-[2'-(1H-tetrazol...) Show SMILES CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1c(Cl)cccc1Cl |(-5.09,-5.33,;-3.94,-6.35,;-2.49,-5.88,;-1.35,-6.91,;.12,-6.44,;.59,-4.97,;2.13,-4.97,;2.62,-6.42,;4.08,-6.91,;4.37,-7.75,;5.23,-5.88,;6.7,-6.35,;7.84,-5.33,;1.36,-7.33,;1.36,-8.87,;2.69,-9.64,;4.04,-8.87,;5.37,-9.64,;5.37,-11.18,;4.04,-11.95,;2.71,-11.18,;6.7,-11.95,;6.7,-13.49,;8.03,-14.26,;9.36,-13.49,;9.36,-11.95,;8.03,-11.18,;8.01,-9.64,;9.25,-8.73,;8.78,-7.28,;7.24,-7.29,;6.77,-8.75,;3.04,-3.72,;2.41,-2.32,;.89,-2.17,;3.31,-1.08,;4.85,-1.24,;5.48,-2.64,;4.58,-3.88,;5.91,-4.65,)| Show InChI InChI=1S/C30H28Cl2N6O2/c1-3-5-13-26-23(27(30(39)40-4-2)38(35-26)28-24(31)11-8-12-25(28)32)18-19-14-16-20(17-15-19)21-9-6-7-10-22(21)29-33-36-37-34-29/h6-12,14-17H,3-5,13,18H2,1-2H3,(H,33,34,36,37)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Evaluation of Angiotensin II antagonistic activity by displacement of [125I]-Sar Ile-AII at the rabbit aorta Angiotensin II receptor, type 1				J Med Chem 36: 3595-605 (1994) BindingDB Entry DOI: 10.7270/Q25Q4V5H
					More data for this Ligand-Target Pair