Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50336994'   

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))	BDBM50336994 (CHEMBL1672626 | N-[6-(2-Furyl)-5-pyrimidin-4-ylpyr...) Show SMILES O=C(Nc1cnc(-c2ccncn2)c(n1)-c1ccco1)C1CC1 Show InChI InChI=1S/C16H13N5O2/c22-16(10-3-4-10)21-13-8-18-14(11-5-6-17-9-19-11)15(20-13)12-2-1-7-23-12/h1-2,5-10H,3-4H2,(H,20,21,22)	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	111	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HeLa cells after 60 mins by scintillation proximity assay				ACS Med Chem Lett 2: 213-218 (2011) Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10
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