Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50224360'   

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))	BDBM50224360 (3-chloro-N-(1-oxo-2-phenyl-1H-3,3a,5,9b-tetraaza-c...) Show SMILES Clc1cccc(c1)C(=O)Nc1nc2ccccc2n2n1nc(-c1ccccc1)c2=O Show InChI InChI=1S/C22H14ClN5O2/c23-16-10-6-9-15(13-16)20(29)25-22-24-17-11-4-5-12-18(17)27-21(30)19(26-28(22)27)14-7-2-1-3-8-14/h1-13H,(H,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	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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