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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 = 'BDBM50410731'   
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))
BDBM50410731
PNG
(CHEMBL199862)
Show SMILES O=C(COc1ccc(cc1)-c1cc2n(CC3CC3)c(=O)n(CC3CC3)c(=O)c2[nH]1)Nc1ccccc1
Show InChI InChI=1S/C28H28N4O4/c33-25(29-21-4-2-1-3-5-21)17-36-22-12-10-20(11-13-22)23-14-24-26(30-23)27(34)32(16-19-8-9-19)28(35)31(24)15-18-6-7-18/h1-5,10-14,18-19,30H,6-9,15-17H2,(H,29,33)
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PC cid
PC sid
UniChem
Article
PubMed
4.68n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human adenosine A2B receptor


J Med Chem 49: 282-99 (2006)


Article DOI: 10.1021/jm0506221
BindingDB Entry DOI: 10.7270/Q29K4CF5
More data for this
Ligand-Target Pair