Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50360187'   

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))	BDBM50360187 (CHEMBL1927447) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CC1)C(=O)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H24N8O2/c27-24-29-25(30-26-28-22(31-34(24)26)20-12-7-17-36-20)33-15-13-32(14-16-33)23(35)21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-12,17,21H,13-16H2,(H2,27,28,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	92.9	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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