Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50389841'   

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))	BDBM50389841 (CHEMBL2070717) Show SMILES Cc1cc(NC(=O)CSc2nc3ccccc3c3nc4ccccc4n23)[nH]n1 Show InChI InChI=1S/C20H16N6OS/c1-12-10-17(25-24-12)23-18(27)11-28-20-22-14-7-3-2-6-13(14)19-21-15-8-4-5-9-16(15)26(19)20/h2-10H,11H2,1H3,(H2,23,24,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human AA2AR expressed in HEK293T cells after 2 hrs by liquid scintillation counter				J Med Chem 55: 5311-25 (2012) Article DOI: 10.1021/jm300280e BindingDB Entry DOI: 10.7270/Q2N58NFZ
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