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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2b' and Ligand = 'BDBM50086176'   
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))
BDBM50086176
PNG
(CHEMBL275149 | N,N-Dibenzyl-2-[4-(2,6-dioxo-1,3-di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1
Show InChI InChI=1S/C33H35N5O4/c1-3-19-37-31-29(32(40)38(20-4-2)33(37)41)34-30(35-31)26-15-17-27(18-16-26)42-23-28(39)36(21-24-11-7-5-8-12-24)22-25-13-9-6-10-14-25/h5-18H,3-4,19-23H2,1-2H3,(H,34,35)
PDB

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KEGG

UniProtKB/SwissProt

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.88n/an/an/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity against human adenosine A2B receptor


Eur J Med Chem 45: 3459-71 (2010)


Article DOI: 10.1016/j.ejmech.2010.04.039
BindingDB Entry DOI: 10.7270/Q2K074GG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50086176
PNG
(CHEMBL275149 | N,N-Dibenzyl-2-[4-(2,6-dioxo-1,3-di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1
Show InChI InChI=1S/C33H35N5O4/c1-3-19-37-31-29(32(40)38(20-4-2)33(37)41)34-30(35-31)26-15-17-27(18-16-26)42-23-28(39)36(21-24-11-7-5-8-12-24)22-25-13-9-6-10-14-25/h5-18H,3-4,19-23H2,1-2H3,(H,34,35)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
9.88n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against human A2B adenosine receptor expressed in HEK-293 cells uisng [3H]-ZM-241,385 or [125I]-IABOPX


J Med Chem 43: 1165-72 (2000)


BindingDB Entry DOI: 10.7270/Q2M044NW
More data for this
Ligand-Target Pair