Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2b' and Ligand = 'BDBM50415171'   

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))	BDBM50415171 (CHEMBL595658) Show SMILES CCCn1c(=O)n(Cc2ccco2)c2nc(Cc3cccs3)n(C)c2c1=O Show InChI InChI=1S/C19H20N4O3S/c1-3-8-22-18(24)16-17(23(19(22)25)12-13-6-4-9-26-13)20-15(21(16)2)11-14-7-5-10-27-14/h4-7,9-10H,3,8,11-12H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells				Bioorg Med Chem 17: 6755-60 (2009) Article DOI: 10.1016/j.bmc.2009.07.034 BindingDB Entry DOI: 10.7270/Q24T6KMH
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