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PubMed code 22703703

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
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))
BDBM50086170
PNG
((4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30)
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Article
PubMed
10.4n/an/an/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


Eur J Med Chem 54: 914-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.033
BindingDB Entry DOI: 10.7270/Q2S46T0B
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50350114
PNG
(CHEMBL1814066)
Show SMILES Oc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1O
Show InChI InChI=1S/C16H11NO5/c18-12-6-5-9(7-13(12)19)17-16(21)11-8-22-14-4-2-1-3-10(14)15(11)20/h1-8,18-19H,(H,17,21)
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Article
PubMed
1.35E+3n/an/an/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


Eur J Med Chem 54: 914-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.033
BindingDB Entry DOI: 10.7270/Q2S46T0B
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50350111
PNG
(CHEMBL1814064)
Show SMILES Oc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1
Show InChI InChI=1S/C16H11NO4/c18-11-7-5-10(6-8-11)17-16(20)13-9-21-14-4-2-1-3-12(14)15(13)19/h1-9,18H,(H,17,20)
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Article
PubMed
2.89E+3n/an/an/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


Eur J Med Chem 54: 914-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.033
BindingDB Entry DOI: 10.7270/Q2S46T0B
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50350112
PNG
(CHEMBL1814065)
Show SMILES COc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1O
Show InChI InChI=1S/C17H13NO5/c1-22-15-7-6-10(8-13(15)19)18-17(21)12-9-23-14-5-3-2-4-11(14)16(12)20/h2-9,19H,1H3,(H,18,21)
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Article
PubMed
5.82E+3n/an/an/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


Eur J Med Chem 54: 914-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.033
BindingDB Entry DOI: 10.7270/Q2S46T0B
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50350118
PNG
(CHEMBL1814067)
Show SMILES COc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1OC
Show InChI InChI=1S/C18H15NO5/c1-22-15-8-7-11(9-16(15)23-2)19-18(21)13-10-24-14-6-4-3-5-12(14)17(13)20/h3-10H,1-2H3,(H,19,21)
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Article
PubMed
6.39E+3n/an/an/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


Eur J Med Chem 54: 914-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.033
BindingDB Entry DOI: 10.7270/Q2S46T0B
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50333651
PNG
(4-oxo-N-phenyl-4H-chromene-3-carboxamide | CHEMBL1...)
Show SMILES O=C(Nc1ccccc1)c1coc2ccccc2c1=O
Show InChI InChI=1S/C16H11NO3/c18-15-12-8-4-5-9-14(12)20-10-13(15)16(19)17-11-6-2-1-3-7-11/h1-10H,(H,17,19)
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Article
PubMed
8.51E+3n/an/an/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


Eur J Med Chem 54: 914-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.033
BindingDB Entry DOI: 10.7270/Q2S46T0B
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%