Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2b' and Ligand = 'BDBM50273957'   

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))	BDBM50273957 (7-hydroxy-1-methyl-6-(4-(methylsulfonyl)phenyl)-3-...) Show SMILES CCCn1c(=O)n(C)c2c(O)c([nH]c2c1=O)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C17H19N3O5S/c1-4-9-20-16(22)13-14(19(2)17(20)23)15(21)12(18-13)10-5-7-11(8-6-10)26(3,24)25/h5-8,18,21H,4,9H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human cloned adenosine A2B receptor expressed in HEK293 cells				Bioorg Med Chem 16: 9780-9 (2008) Article DOI: 10.1016/j.bmc.2008.09.067 BindingDB Entry DOI: 10.7270/Q21Z448B
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