Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50051342'   

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
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50051342 (3,6-Dichloro-2-(2-isobutoxy-4-methyl-phenyl)-chrom...) Show SMILES CC(C)COc1cc(C)ccc1-c1oc2ccc(Cl)cc2c(=O)c1Cl Show InChI InChI=1S/C20H18Cl2O3/c1-11(2)10-24-17-8-12(3)4-6-14(17)20-18(22)19(23)15-9-13(21)5-7-16(15)25-20/h4-9,11H,10H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	561	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity against human adenosine A3 receptor in HEK293 cells using [125I]-AB-MECA 21680 radioligand.				J Med Chem 39: 2293-301 (1996) Article DOI: 10.1021/jm950923i BindingDB Entry DOI: 10.7270/Q2D799J2
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