Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2b' and Ligand = 'BDBM50414356'   

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))	BDBM50414356 (CHEMBL565192) Show SMILES CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(OCC(=O)NN2CCc3ccccc3C2)cc1 Show InChI InChI=1S/C28H32N6O5/c1-3-33-27(36)24-26(34(28(33)37)14-6-16-38-2)30-25(29-24)20-9-11-22(12-10-20)39-18-23(35)31-32-15-13-19-7-4-5-8-21(19)17-32/h4-5,7-12H,3,6,13-18H2,1-2H3,(H,29,30)(H,31,35)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	49.0	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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