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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2b' and Ligand = 'BDBM50511936'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50511936
PNG
(CHEMBL4575279)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(OCCOCCOC)cc2)CC1
Show InChI InChI=1S/C30H38N6O7S/c1-3-12-36-29(37)26-28(33-30(36)38)32-27(31-26)23-6-10-25(11-7-23)44(39,40)35-15-13-34(14-16-35)21-22-4-8-24(9-5-22)43-20-19-42-18-17-41-2/h4-11H,3,12-21H2,1-2H3,(H,31,32)(H,33,38)
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 7n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universitat Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-603 from recombinant human A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins in presence of adeno...

J Med Chem 62: 4032-4055 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00071
BindingDB Entry DOI: 10.7270/Q22Z18VS
More data for this
Ligand-Target Pair