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Compile Data Set for Download or QSAR

Found 10 hits of ki data for polymerid = 50001766   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine A2b receptor


(Mus musculus)
BDBM50511937
PNG
(CHEMBL4552275)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(Br)cc1
Show InChI InChI=1S/C24H25BrN6O4S/c1-2-11-31-23(32)20-22(28-24(31)33)27-21(26-20)16-3-9-19(10-4-16)36(34,35)30-14-12-29(13-15-30)18-7-5-17(25)6-8-18/h3-10H,2,11-15H2,1H3,(H,26,27)(H,28,33)
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0.131n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universitat Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-603 from recombinant mouse A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins in presence of adeno...


J Med Chem 62: 4032-4055 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00071
More data for this
Ligand-Target Pair
Adenosine A2b receptor


(Mus musculus)
BDBM50511968
PNG
(CHEMBL4464522)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(Br)c2)CC1
Show InChI InChI=1S/C25H27BrN6O4S/c1-2-10-32-24(33)21-23(29-25(32)34)28-22(27-21)18-6-8-20(9-7-18)37(35,36)31-13-11-30(12-14-31)16-17-4-3-5-19(26)15-17/h3-9,15H,2,10-14,16H2,1H3,(H,27,28)(H,29,34)
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0.901n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universitat Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-603 from recombinant mouse A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins in presence of adeno...


J Med Chem 62: 4032-4055 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00071
More data for this
Ligand-Target Pair
Adenosine A2b receptor


(Mus musculus)
BDBM50511949
PNG
(CHEMBL4466765)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1cccc(F)c1
Show InChI InChI=1S/C24H25FN6O4S/c1-2-10-31-23(32)20-22(28-24(31)33)27-21(26-20)16-6-8-19(9-7-16)36(34,35)30-13-11-29(12-14-30)18-5-3-4-17(25)15-18/h3-9,15H,2,10-14H2,1H3,(H,26,27)(H,28,33)
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0.926n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universitat Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-603 from recombinant mouse A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins in presence of adeno...


J Med Chem 62: 4032-4055 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00071
More data for this
Ligand-Target Pair
Adenosine A2b receptor


(Mus musculus)
BDBM50455533
PNG
(CHEMBL4205635)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)NCCC2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(C)cc(C)c23)cc1
Show InChI InChI=1S/C31H34BF2N7O4/c1-6-13-39-30(43)25-29(38-31(39)44)37-28(36-25)21-7-9-22(10-8-21)45-16-24(42)35-12-11-23-26-17(2)14-19(4)40(26)32(33,34)41-20(5)15-18(3)27(23)41/h7-10,14-15H,6,11-13,16H2,1-5H3,(H,35,42)(H,36,37)(H,38,44)
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1.30n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-603 from recombinant mouse adenosine A2B receptor expressed in CHO cell membranes after 75 mins by liquid scintillation count...


J Med Chem 61: 4301-4316 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01627
BindingDB Entry DOI: 10.7270/Q23R0WG5
More data for this
Ligand-Target Pair
Adenosine A2b receptor


(Mus musculus)
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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3.10n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universitat Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-603 from recombinant mouse A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins by liquid scintillat...


J Med Chem 62: 4032-4055 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00071
More data for this
Ligand-Target Pair
Adenosine A2b receptor


(Mus musculus)
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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3.39n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity to mouse 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 A2b receptor


(Mus musculus)
BDBM50511941
PNG
(CHEMBL4537196)
Show SMILES CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H27ClN6O4S/c1-3-12-32-24(33)21-23(29(2)25(32)34)28-22(27-21)17-4-10-20(11-5-17)37(35,36)31-15-13-30(14-16-31)19-8-6-18(26)7-9-19/h4-11H,3,12-16H2,1-2H3,(H,27,28)
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8.30n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universitat Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-603 from recombinant mouse A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins in presence of adeno...


J Med Chem 62: 4032-4055 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00071
More data for this
Ligand-Target Pair
Adenosine A2b receptor


(Mus musculus)
BDBM50042209
PNG
(4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O
Show InChI InChI=1S/C14H14N4O5S/c1-2-7-18-13(19)10-12(17-14(18)20)16-11(15-10)8-3-5-9(6-4-8)24(21,22)23/h3-6H,2,7H2,1H3,(H,15,16)(H,17,20)(H,21,22,23)
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1.94E+3n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universitat Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-603 from recombinant mouse A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins by liquid scintillat...


J Med Chem 62: 4032-4055 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00071
More data for this
Ligand-Target Pair
Adenosine A2b receptor


(Mus musculus)
BDBM50116458
PNG
(1-Methyl-2-phenyl-1,4,6,7-tetrahydro-1,3,4,5a,8-pe...)
Show SMILES Cn1c(nc2NC(=O)N3CCN=C3c12)-c1ccccc1
Show InChI InChI=1S/C14H13N5O/c1-18-10-11(16-12(18)9-5-3-2-4-6-9)17-14(20)19-8-7-15-13(10)19/h2-6H,7-8H2,1H3,(H,17,20)
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7.00E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition against A2B-Adenosine Receptor in mouse NIH 3T3 fibroblast cell membranes (functional antagonist activity)


J Med Chem 45: 3440-50 (2002)


Article DOI: 10.1021/jm011093d
BindingDB Entry DOI: 10.7270/Q2PC333B
More data for this
Ligand-Target Pair
Adenosine A2b receptor


(Mus musculus)
BDBM10849
PNG
(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
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2.30E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-603 from recombinant mouse adenosine A2B receptor expressed in CHO cell membranes after 75 mins by liquid scintillation count...


J Med Chem 61: 4301-4316 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01627
BindingDB Entry DOI: 10.7270/Q23R0WG5
More data for this
Ligand-Target Pair