Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Type-1 angiotensin II receptor' and Ligand = 'BDBM50043474'   

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)	BDBM50043474 ((3,5-Bis-trifluoromethyl-phenyl)-{ethyl-[4-(2-ethy...) Show SMILES CCN(C(C(O)=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccc(Cn2c(CC)nc3c(C)cc(C)nc23)cc1 Show InChI InChI=1S/C29H28F6N4O2/c1-5-23-37-24-16(3)11-17(4)36-26(24)39(23)15-18-7-9-22(10-8-18)38(6-2)25(27(40)41)19-12-20(28(30,31)32)14-21(13-19)29(33,34)35/h7-14,25H,5-6,15H2,1-4H3,(H,40,41)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro antagonist activity against angiotensin II receptor type 1 in rabbit aorta using [125I]-Sar, Ile AII.				J Med Chem 36: 4239-49 (1994) BindingDB Entry DOI: 10.7270/Q22V2F6P
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