Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2b' and Ligand = 'BDBM50414357'   

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))	BDBM50414357 (CHEMBL560905) Show SMILES CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccon2)cc1 Show InChI InChI=1S/C22H24N6O6/c1-3-27-21(30)18-20(28(22(27)31)10-4-11-32-2)25-19(24-18)14-5-7-15(8-6-14)33-13-17(29)23-16-9-12-34-26-16/h5-9,12H,3-4,10-11,13H2,1-2H3,(H,24,25)(H,23,26,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de A Coru£a Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2b receptor expressed in HEK293 cells				Bioorg Med Chem 17: 3426-32 (2009) Article DOI: 10.1016/j.bmc.2009.03.029 BindingDB Entry DOI: 10.7270/Q2XD12XF
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