Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM26235'   

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))	BDBM26235 (N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(2-fluoro-3-...) Show SMILES COc1cccc(c1F)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C Show InChI InChI=1S/C18H18FN5O2/c1-10-8-11(2)24(23-10)18-21-14(9-16(22-18)20-12(3)25)13-6-5-7-15(26-4)17(13)19/h5-9H,1-4H3,(H,20,21,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.600	-52.1	n/a	n/a	n/a	n/a	n/a	7.4	22
Neurocrine Bioscience					Assay Description The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...				J Med Chem 51: 7099-7110 (2008) Article DOI: 10.1021/jm800851u BindingDB Entry DOI: 10.7270/Q20R9MQG
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