Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50124120'   

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 (Rattus norvegicus (rat))	BDBM50124120 (2-[2-chloro-6-(methylamino)-9H-purin-9-yl]-4-fluor...) Show SMILES CNc1nc(Cl)nc2n(cnc12)C1OC(CO)C(F)C1O Show InChI InChI=1S/C11H13ClFN5O3/c1-14-8-6-9(17-11(12)16-8)18(3-15-6)10-7(20)5(13)4(2-19)21-10/h3-5,7,10,19-20H,2H2,1H3,(H,14,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [3H]-CGS- 21680 from Adenosine A2A receptor in rat brain membrane				Bioorg Med Chem Lett 13: 817-20 (2003) BindingDB Entry DOI: 10.7270/Q2M32WB7
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