Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50153337'   

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))	BDBM50153337 ((4,6-dimethylpyrimidin-2-ylamino)(4-methoxypheneth...) Show SMILES COc1ccc(CCNC(N)=Nc2nc(C)cc(C)n2)cc1 |w:11.11| Show InChI InChI=1S/C16H21N5O/c1-11-10-12(2)20-16(19-11)21-15(17)18-9-8-13-4-6-14(22-3)7-5-13/h4-7,10H,8-9H2,1-3H3,(H3,17,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in HEK293 cells after 60 mins by scintillation counting				J Med Chem 53: 3748-55 (2010) Article DOI: 10.1021/jm100240h BindingDB Entry DOI: 10.7270/Q2G16100
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