Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2b' and Ligand = 'BDBM50242081'   

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))	BDBM50242081 (CHEMBL4085353) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#CC2(O)CCCC2)c1 Show InChI InChI=1S/C22H28N6O3/c1-3-11-27-19-17(20(29)28(12-4-2)21(27)30)24-18(25-19)16-14-23-26(15-16)13-7-10-22(31)8-5-6-9-22/h14-15,31H,3-6,8-9,11-13H2,1-2H3,(H,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	79	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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