Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50318279'   

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 A2a (Homo sapiens (Human))	BDBM50318279 (1-(3-chlorophenyl)-3-(2-methyl-6-phenyl-2H-pyrazol...) Show SMILES Cn1cc2c(NC(=O)Nc3cccc(Cl)c3)nc(nc2n1)-c1ccccc1 Show InChI InChI=1S/C19H15ClN6O/c1-26-11-15-17(24-19(27)21-14-9-5-8-13(20)10-14)22-16(23-18(15)25-26)12-6-3-2-4-7-12/h2-11H,1H3,(H2,21,22,23,24,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	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]NECA from human adenosine A2A receptor expressed in CHO cells				J Med Chem 53: 3954-63 (2010) Article DOI: 10.1021/jm901785w BindingDB Entry DOI: 10.7270/Q2N017HH
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