Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2b' and Ligand = 'BDBM50233108'   

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))	BDBM50233108 (1-benzyl-8-(1-benzyl-1H-pyrazol-4-yl)-1H-purine-2,...) Show SMILES O=c1[nH]c2nc([nH]c2c(=O)n1Cc1ccccc1)-c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C22H18N6O2/c29-21-18-20(26-22(30)28(21)13-16-9-5-2-6-10-16)25-19(24-18)17-11-23-27(14-17)12-15-7-3-1-4-8-15/h1-11,14H,12-13H2,(H,24,25)(H,26,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-ZM241385 from human A2B receptor expressed in HEK293 cell membranes				Bioorg Med Chem Lett 18: 1397-401 (2008) Article DOI: 10.1016/j.bmcl.2008.01.008 BindingDB Entry DOI: 10.7270/Q2319VMQ
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