Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2b' and Ligand = 'BDBM50233094'   

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))	BDBM50233094 (8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1-ethyl-1H-...) Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1 Show InChI InChI=1S/C17H15FN6O2/c1-2-24-16(25)13-15(22-17(24)26)21-14(20-13)11-7-19-23(9-11)8-10-4-3-5-12(18)6-10/h3-7,9H,2,8H2,1H3,(H,20,21)(H,22,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-ZM241385 from human A2B receptor expressed in HEK293 cell membranes				Bioorg Med Chem Lett 18: 1397-401 (2008) Article DOI: 10.1016/j.bmcl.2008.01.008 BindingDB Entry DOI: 10.7270/Q2319VMQ
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