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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor' and Ligand = 'BDBM50242072'   
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


(Homo sapiens (Human))
BDBM50242072
PNG
(CHEMBL4059836)
Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(CC#Cc2cccc(F)c2)c1
Show InChI InChI=1S/C22H21FN6O2/c1-3-10-29-21(30)18-20(28(4-2)22(29)31)26-19(25-18)16-13-24-27(14-16)11-6-8-15-7-5-9-17(23)12-15/h5,7,9,12-14H,3-4,10-11H2,1-2H3,(H,25,26)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.40n/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