Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50360211'   

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))	BDBM50360211 (CHEMBL1927438) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CC1)C(=O)C(Cl)Cl Show InChI InChI=1S/C14H14Cl2N8O2/c15-9(16)11(25)22-3-5-23(6-4-22)13-19-12(17)24-14(20-13)18-10(21-24)8-2-1-7-26-8/h1-2,7,9H,3-6H2,(H2,17,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	282	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells by scintillation counting				J Med Chem 54: (2011) Article DOI: 10.1021/jm101349u BindingDB Entry DOI: 10.7270/Q2445MXP
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