Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50285552'   

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))	BDBM50285552 (3-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-...) Show SMILES CCNC(=O)CCSc1nc(N)c2cnn(-c3ccccc3)c2n1 Show InChI InChI=1S/C16H18N6OS/c1-2-18-13(23)8-9-24-16-20-14(17)12-10-19-22(15(12)21-16)11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,18,23)(H2,17,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.28E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards Adenosine A2a receptor by inhibition of [3H]-CGS-21,680 binding to rat brain striatum membranes				Bioorg Med Chem Lett 5: 2409-2412 (1995) Article DOI: 10.1016/0960-894X(95)00420-X BindingDB Entry DOI: 10.7270/Q2HT2P9M
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