Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2b' and Ligand = 'BDBM50416329'   

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))	BDBM50416329 (CHEMBL1169972) Show SMILES CCCn1c2cc([nH]c2c(=O)[nH]c1=O)-c1ccc(OCC(=O)N2CCc3ccccc3C2)cc1 Show InChI InChI=1S/C26H26N4O4/c1-2-12-30-22-14-21(27-24(22)25(32)28-26(30)33)18-7-9-20(10-8-18)34-16-23(31)29-13-11-17-5-3-4-6-19(17)15-29/h3-10,14,27H,2,11-13,15-16H2,1H3,(H,28,32,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	79.4	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 Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells after 30 mins				Eur J Med Chem 45: 2884-92 (2010) Article DOI: 10.1016/j.ejmech.2010.03.011 BindingDB Entry DOI: 10.7270/Q2T72JPT
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