Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2b' and Ligand = 'BDBM50242078'   

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))	BDBM50242078 (CHEMBL4100823) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#CCN2CCCCC2)c1 Show InChI InChI=1S/C23H31N7O2/c1-3-10-29-21-19(22(31)30(11-4-2)23(29)32)25-20(26-21)18-16-24-28(17-18)15-9-8-14-27-12-6-5-7-13-27/h16-17H,3-7,10-15H2,1-2H3,(H,25,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	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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