Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2b' and Ligand = 'BDBM50415185'   

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 A2b (Homo sapiens (Human))	BDBM50415185 (CHEMBL606535) Show SMILES COCCn1c(=O)n(Cc2ccco2)c2nc(Cc3ccccc3)n(C)c2c1=O Show InChI InChI=1S/C21H22N4O4/c1-23-17(13-15-7-4-3-5-8-15)22-19-18(23)20(26)24(10-12-28-2)21(27)25(19)14-16-9-6-11-29-16/h3-9,11H,10,12-14H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	61.7	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]DPCPX from human adenosine A2B receptor expressed in HEK293 cells				Bioorg Med Chem 17: 6755-60 (2009) Article DOI: 10.1016/j.bmc.2009.07.034 BindingDB Entry DOI: 10.7270/Q24T6KMH
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