Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50258805'   

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))	BDBM50258805 (CHEMBL466828 | [4-(2,3,4,5-Tetrahydro-2,4-dioxo-1,...) Show SMILES CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(COC(=O)N2CCN(CC2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C30H34FN5O4/c1-3-13-35-26-19-25(32-27(26)28(37)36(14-4-2)29(35)38)22-7-5-21(6-8-22)20-40-30(39)34-17-15-33(16-18-34)24-11-9-23(31)10-12-24/h5-12,19,32H,3-4,13-18,20H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human recombinant adenosine A2A receptor expressed in HeLa cells by beta scintillation counter				Bioorg Med Chem 17: 3618-29 (2009) Article DOI: 10.1016/j.bmc.2009.03.062 BindingDB Entry DOI: 10.7270/Q2Q81D07
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