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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 = 'BDBM50242060'   
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))		BDBM50242060
PNG
(CHEMBL4102581)
Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(CC#Cc2ccc(cc2)C(O)=O)c1
Show InChI InChI=1S/C23H22N6O4/c1-3-11-29-21(30)18-20(28(4-2)23(29)33)26-19(25-18)17-13-24-27(14-17)12-5-6-15-7-9-16(10-8-15)22(31)32/h7-10,13-14H,3-4,11-12H2,1-2H3,(H,25,26)(H,31,32)
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PC cid
PC sid
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Article
PubMed
 130n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins

Eur J Med Chem 134: 218-229 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J
More data for this
Ligand-Target Pair