Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50279730'   

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))	BDBM50279730 (8-[4-(2-Dimethylaminoethoxy)-3-methoxyphenyl]-1,3-...) Show SMILES COc1cc(ccc1OCCN(C)C)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C18H23N5O4/c1-21(2)8-9-27-12-7-6-11(10-13(12)26-5)15-19-14-16(20-15)22(3)18(25)23(4)17(14)24/h6-7,10H,8-9H2,1-5H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241385 from human cloned adenosine A2A receptor expressed in HEK293 cells by scintillation counting				Eur J Med Chem 44: 2122-7 (2009) Article DOI: 10.1016/j.ejmech.2008.10.017 BindingDB Entry DOI: 10.7270/Q2S182CW
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