Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50224344'   

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))	BDBM50224344 (3-chloro-N-(1-oxo-2-p-tolyl-1H-3,3a,5,9b-tetraaza-...) Show SMILES Cc1ccc(cc1)-c1nn2c(NC(=O)c3cccc(Cl)c3)nc3ccccc3n2c1=O Show InChI InChI=1S/C23H16ClN5O2/c1-14-9-11-15(12-10-14)20-22(31)28-19-8-3-2-7-18(19)25-23(29(28)27-20)26-21(30)16-5-4-6-17(24)13-16/h2-13H,1H3,(H,25,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]AB-MECA from human adenosine A3 receptor expressed in CHO cells				J Med Chem 50: 5676-84 (2007) Article DOI: 10.1021/jm0708376 BindingDB Entry DOI: 10.7270/Q2SJ1MFX
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