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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor' and Ligand = 'BDBM50242082'   
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))
BDBM50242082
PNG
(CHEMBL4066128)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2ccc(C)cc2)c1
Show InChI InChI=1S/C24H26N6O2/c1-4-12-29-22-20(23(31)30(13-5-2)24(29)32)26-21(27-22)19-15-25-28(16-19)14-6-7-18-10-8-17(3)9-11-18/h8-11,15-16H,4-5,12-14H2,1-3H3,(H,26,27)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.5n/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