Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2b' and Ligand = 'BDBM50003225'   

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))	BDBM50003225 (CHEMBL411075) Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C26H26BrN5O4/c1-29-22-15-21(28-24(22)25(34)30(2)26(29)35)17-3-9-20(10-4-17)36-16-23(33)32-13-11-31(12-14-32)19-7-5-18(27)6-8-19/h3-10,15,28H,11-14,16H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells				Bioorg Med Chem 16: 2852-69 (2008) Checked by Author Article DOI: 10.1016/j.bmc.2008.01.002 BindingDB Entry DOI: 10.7270/Q2G73FMZ
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