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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 = 'BDBM50133361'   
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))
BDBM50133361
PNG
(CHEMBL435022 | N-[2-Furan-2-yl-8-(3-methyl-butyl)-...)
Show SMILES CC(C)CCn1cc2c(n1)nc(NC(=O)COc1ccccc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C23H23N7O3/c1-15(2)10-11-29-13-17-20(27-29)26-23(24-19(31)14-33-16-7-4-3-5-8-16)30-22(17)25-21(28-30)18-9-6-12-32-18/h3-9,12-13,15H,10-11,14H2,1-2H3,(H,24,26,27,31)
PDB

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KEGG

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PC cid
PC sid
UniChem

Similars

Article
PubMed
25n/an/an/an/an/an/an/an/a



Università degli Studi di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A2B receptor expressed in HEK-293 cells


J Med Chem 46: 4287-96 (2003)


Article DOI: 10.1021/jm030852k
BindingDB Entry DOI: 10.7270/Q2348JRF
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50133361
PNG
(CHEMBL435022 | N-[2-Furan-2-yl-8-(3-methyl-butyl)-...)
Show SMILES CC(C)CCn1cc2c(n1)nc(NC(=O)COc1ccccc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C23H23N7O3/c1-15(2)10-11-29-13-17-20(27-29)26-23(24-19(31)14-33-16-7-4-3-5-8-16)30-22(17)25-21(28-30)18-9-6-12-32-18/h3-9,12-13,15H,10-11,14H2,1-2H3,(H,24,26,27,31)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Università degli Studi di Trieste

Curated by ChEMBL


Assay Description
Inhibitory activity against NECA stimulated cAMP accumulation in CHO cells expressing human adenosine A2B receptor


J Med Chem 46: 4287-96 (2003)


Article DOI: 10.1021/jm030852k
BindingDB Entry DOI: 10.7270/Q2348JRF
More data for this
Ligand-Target Pair