Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50248529'   

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))	BDBM50248529 (2-(cyclopropylmethylamino)-7-(2,6-difluorobenzyl)-...) Show SMILES COc1cccc(c1)-n1c2nc(NCC3CC3)ncc2n(Cc2c(F)cccc2F)c1=O Show InChI InChI=1S/C23H21F2N5O2/c1-32-16-5-2-4-15(10-16)30-21-20(12-27-22(28-21)26-11-14-8-9-14)29(23(30)31)13-17-18(24)6-3-7-19(17)25/h2-7,10,12,14H,8-9,11,13H2,1H3,(H,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	499	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 1399-402 (2009) Article DOI: 10.1016/j.bmcl.2009.01.042 BindingDB Entry DOI: 10.7270/Q26973F9
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