BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2b' and Ligand = 'BDBM50321550'   
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))
BDBM50321550
PNG
(CHEMBL1172442 | N1-(7-(N-ethylacetamido)-4-methoxy...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)C(=O)N(C)CCOC)sc12
Show InChI InChI=1S/C24H28N4O5S/c1-6-28(15(2)29)18-11-12-19(33-5)20-21(18)34-24(25-20)26-22(30)16-7-9-17(10-8-16)23(31)27(3)13-14-32-4/h7-12H,6,13-14H2,1-5H3,(H,25,26,30)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
13n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2B receptor expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 4140-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.056
BindingDB Entry DOI: 10.7270/Q21Z45DJ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50321550
PNG
(CHEMBL1172442 | N1-(7-(N-ethylacetamido)-4-methoxy...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)C(=O)N(C)CCOC)sc12
Show InChI InChI=1S/C24H28N4O5S/c1-6-28(15(2)29)18-11-12-19(33-5)20-21(18)34-24(25-20)26-22(30)16-7-9-17(10-8-16)23(31)27(3)13-14-32-4/h7-12H,6,13-14H2,1-5H3,(H,25,26,30)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of adenosine-induced cAMP production


Bioorg Med Chem Lett 20: 4140-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.056
BindingDB Entry DOI: 10.7270/Q21Z45DJ
More data for this
Ligand-Target Pair