Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2b' and Ligand = 'BDBM50242101'   

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))	BDBM50242101 (CHEMBL4102500) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC#Cc2cccc(OC(F)(F)F)c2)no1 Show InChI InChI=1S/C24H22F3N5O5/c1-3-10-31-21-19(22(33)32(11-4-2)23(31)34)28-20(29-21)17-14-18(30-37-17)35-12-6-8-15-7-5-9-16(13-15)36-24(25,26)27/h5,7,9,13-14H,3-4,10-12H2,1-2H3,(H,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 134: 218-229 (2017) Article DOI: 10.1016/j.ejmech.2017.04.014 BindingDB Entry DOI: 10.7270/Q2VH5R0J
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