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Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2b' and Ligand = 'BDBM50229885'   
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))
BDBM50229885
PNG
(CHEMBL260331 | CHEMBL506685 | N-(benzo[d][1,3]diox...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc3OCOc3c2)nn1C
Show InChI InChI=1S/C24H27N7O6/c1-4-8-30-22-20(23(33)31(9-5-2)24(30)34)26-21(27-22)15-11-19(28-29(15)3)35-12-18(32)25-14-6-7-16-17(10-14)37-13-36-16/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3,(H,25,32)(H,26,27)
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5.5n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE2029-F20 from human recombinant adenosine A2B receptor expressed in HEK293 cells after 120 mins by scintillation counting


J Med Chem 55: 797-811 (2012)


Article DOI: 10.1021/jm201292w
BindingDB Entry DOI: 10.7270/Q2862GXT
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50229885
PNG
(CHEMBL260331 | CHEMBL506685 | N-(benzo[d][1,3]diox...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc3OCOc3c2)nn1C
Show InChI InChI=1S/C24H27N7O6/c1-4-8-30-22-20(23(33)31(9-5-2)24(30)34)26-21(27-22)15-11-19(28-29(15)3)35-12-18(32)25-14-6-7-16-17(10-14)37-13-36-16/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3,(H,25,32)(H,26,27)
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5.5n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE2029F20 from human adenosine A2B receptor expressed in HEK293 cells


Bioorg Med Chem 16: 2419-30 (2008)


Article DOI: 10.1016/j.bmc.2007.11.058
BindingDB Entry DOI: 10.7270/Q2J38TFD
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50229885
PNG
(CHEMBL260331 | CHEMBL506685 | N-(benzo[d][1,3]diox...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc3OCOc3c2)nn1C
Show InChI InChI=1S/C24H27N7O6/c1-4-8-30-22-20(23(33)31(9-5-2)24(30)34)26-21(27-22)15-11-19(28-29(15)3)35-12-18(32)25-14-6-7-16-17(10-14)37-13-36-16/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3,(H,25,32)(H,26,27)
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5.5n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity of compound for displacement of [3H]DPCPX binding in HEK293 membranes expressing human A2B adenosine receptors


J Med Chem 47: 1434-47 (2004)


Article DOI: 10.1021/jm0309654
BindingDB Entry DOI: 10.7270/Q22B8ZSM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50229885
PNG
(CHEMBL260331 | CHEMBL506685 | N-(benzo[d][1,3]diox...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc3OCOc3c2)nn1C
Show InChI InChI=1S/C24H27N7O6/c1-4-8-30-22-20(23(33)31(9-5-2)24(30)34)26-21(27-22)15-11-19(28-29(15)3)35-12-18(32)25-14-6-7-16-17(10-14)37-13-36-16/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3,(H,25,32)(H,26,27)
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5.5n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity of compound for displacement of specific [3H]- DPCPX binding at human A2B receptors expressed in HEK293 cells


J Med Chem 47: 1434-47 (2004)


Article DOI: 10.1021/jm0309654
BindingDB Entry DOI: 10.7270/Q22B8ZSM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50229885
PNG
(CHEMBL260331 | CHEMBL506685 | N-(benzo[d][1,3]diox...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc3OCOc3c2)nn1C
Show InChI InChI=1S/C24H27N7O6/c1-4-8-30-22-20(23(33)31(9-5-2)24(30)34)26-21(27-22)15-11-19(28-29(15)3)35-12-18(32)25-14-6-7-16-17(10-14)37-13-36-16/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3,(H,25,32)(H,26,27)
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5.5n/an/an/an/an/an/an/an/a



M. V. Lomonosov Moscow State University

Curated by ChEMBL


Assay Description
Antagonist activity against human Adenosine A2b receptor


J Med Chem 48: 6813-20 (2005)


Article DOI: 10.1021/jm049418o
BindingDB Entry DOI: 10.7270/Q2542N5D
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50229885
PNG
(CHEMBL260331 | CHEMBL506685 | N-(benzo[d][1,3]diox...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc3OCOc3c2)nn1C
Show InChI InChI=1S/C24H27N7O6/c1-4-8-30-22-20(23(33)31(9-5-2)24(30)34)26-21(27-22)15-11-19(28-29(15)3)35-12-18(32)25-14-6-7-16-17(10-14)37-13-36-16/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3,(H,25,32)(H,26,27)
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5.5n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H] DPCPX from human recombinant Adenosine A2B receptor expressed in HEK293 cells after 60 mins


J Med Chem 59: 1967-83 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01586
BindingDB Entry DOI: 10.7270/Q2QF8VS9
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50229885
PNG
(CHEMBL260331 | CHEMBL506685 | N-(benzo[d][1,3]diox...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc3OCOc3c2)nn1C
Show InChI InChI=1S/C24H27N7O6/c1-4-8-30-22-20(23(33)31(9-5-2)24(30)34)26-21(27-22)15-11-19(28-29(15)3)35-12-18(32)25-14-6-7-16-17(10-14)37-13-36-16/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3,(H,25,32)(H,26,27)
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5.5n/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))
BDBM50229885
PNG
(CHEMBL260331 | CHEMBL506685 | N-(benzo[d][1,3]diox...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc3OCOc3c2)nn1C
Show InChI InChI=1S/C24H27N7O6/c1-4-8-30-22-20(23(33)31(9-5-2)24(30)34)26-21(27-22)15-11-19(28-29(15)3)35-12-18(32)25-14-6-7-16-17(10-14)37-13-36-16/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3,(H,25,32)(H,26,27)
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5.5n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE2029-F20 from human recombinant adenosine A2B receptor expressed in CHO cells


J Med Chem 55: 797-811 (2012)


Article DOI: 10.1021/jm201292w
BindingDB Entry DOI: 10.7270/Q2862GXT
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50229885
PNG
(CHEMBL260331 | CHEMBL506685 | N-(benzo[d][1,3]diox...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc3OCOc3c2)nn1C
Show InChI InChI=1S/C24H27N7O6/c1-4-8-30-22-20(23(33)31(9-5-2)24(30)34)26-21(27-22)15-11-19(28-29(15)3)35-12-18(32)25-14-6-7-16-17(10-14)37-13-36-16/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3,(H,25,32)(H,26,27)
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5.5n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2B receptor


J Med Chem 52: 3994-4006 (2009)


Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50229885
PNG
(CHEMBL260331 | CHEMBL506685 | N-(benzo[d][1,3]diox...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc3OCOc3c2)nn1C
Show InChI InChI=1S/C24H27N7O6/c1-4-8-30-22-20(23(33)31(9-5-2)24(30)34)26-21(27-22)15-11-19(28-29(15)3)35-12-18(32)25-14-6-7-16-17(10-14)37-13-36-16/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3,(H,25,32)(H,26,27)
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n/an/a 38n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory activity against cAMP production in CHO cells transfected with human A2B adenosine receptor


J Med Chem 47: 1434-47 (2004)


Article DOI: 10.1021/jm0309654
BindingDB Entry DOI: 10.7270/Q22B8ZSM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50229885
PNG
(CHEMBL260331 | CHEMBL506685 | N-(benzo[d][1,3]diox...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc3OCOc3c2)nn1C
Show InChI InChI=1S/C24H27N7O6/c1-4-8-30-22-20(23(33)31(9-5-2)24(30)34)26-21(27-22)15-11-19(28-29(15)3)35-12-18(32)25-14-6-7-16-17(10-14)37-13-36-16/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3,(H,25,32)(H,26,27)
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n/an/a 38n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced [3H]cAMP production aft...


J Med Chem 55: 797-811 (2012)


Article DOI: 10.1021/jm201292w
BindingDB Entry DOI: 10.7270/Q2862GXT
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50229885
PNG
(CHEMBL260331 | CHEMBL506685 | N-(benzo[d][1,3]diox...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc3OCOc3c2)nn1C
Show InChI InChI=1S/C24H27N7O6/c1-4-8-30-22-20(23(33)31(9-5-2)24(30)34)26-21(27-22)15-11-19(28-29(15)3)35-12-18(32)25-14-6-7-16-17(10-14)37-13-36-16/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3,(H,25,32)(H,26,27)
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n/an/an/a 1.65n/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2B receptor


J Med Chem 52: 3994-4006 (2009)


Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50229885
PNG
(CHEMBL260331 | CHEMBL506685 | N-(benzo[d][1,3]diox...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc3OCOc3c2)nn1C
Show InChI InChI=1S/C24H27N7O6/c1-4-8-30-22-20(23(33)31(9-5-2)24(30)34)26-21(27-22)15-11-19(28-29(15)3)35-12-18(32)25-14-6-7-16-17(10-14)37-13-36-16/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3,(H,25,32)(H,26,27)
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n/an/an/a 1.70n/an/an/an/an/a



University of Isfahan

Curated by ChEMBL


Assay Description
Binding affinity of [3H]-MRE 2029-F20 towards human adenosine A2b receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3611-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.110
BindingDB Entry DOI: 10.7270/Q2QF8SBN
More data for this
Ligand-Target Pair