Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50051659'   

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))	BDBM50051659 (CHEMBL312156 | [5,6-Dimethyl-7-((S)-1-phenyl-ethyl...) Show SMILES C[C@H](Nc1ncnc2n([C@@H](C)c3ccccc3)c(C)c(C)c12)c1ccccc1 Show InChI InChI=1S/C24H26N4/c1-16-18(3)28(19(4)21-13-9-6-10-14-21)24-22(16)23(25-15-26-24)27-17(2)20-11-7-5-8-12-20/h5-15,17,19H,1-4H3,(H,25,26,27)/t17-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius-Maximilians-Universität Würzburg Curated by ChEMBL					Assay Description Radioligand binding assay for [3H]-NECA affinity towards adenosine A2A receptor of rat striatum				J Med Chem 39: 2482-91 (1996) Article DOI: 10.1021/jm960011w BindingDB Entry DOI: 10.7270/Q27H1HPH
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