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Compile Data Set for Download or QSAR

Found 66 hits of ki data for polymerid = 50002434   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A2b


(Rattus norvegicus)
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 |c:27,30,33|
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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0.180n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


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


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 receptor A2b


(Rattus norvegicus)
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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12.8n/an/an/an/an/an/an/an/a



National Institute of Diabetes & Digestive & Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [125I]-APOBX binding to rat Adenosine A2B receptor expressed in HEK cells


J Med Chem 45: 2131-8 (2002)


BindingDB Entry DOI: 10.7270/Q2V1243G
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
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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12.8n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity to rat 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


(Rattus norvegicus)
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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13n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universitat Bonn

Curated by ChEMBL


Assay Description
Binding affinity to rat A2B adenosine receptor by radio-ligand displacement assay


J Med Chem 62: 4032-4055 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00071
BindingDB Entry DOI: 10.7270/Q22Z18VS
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM60917
PNG
(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12
Show InChI InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2
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35n/an/an/an/an/an/an/an/a


TBA

Assay Description
Compound was tested for its binding affinity against Alpha-2 adrenergic receptor


Citation and Details

BindingDB Entry DOI: 10.7270/Q2930WC4
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM50213356
PNG
(CHEMBL310997)
Show SMILES Oc1ccc(C[C@H]2CCCN2CCCCCCN2CCC[C@@H]2Cc2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C28H40N2O4/c31-25-11-9-21(19-27(25)33)17-23-7-5-15-29(23)13-3-1-2-4-14-30-16-6-8-24(30)18-22-10-12-26(32)28(34)20-22/h9-12,19-20,23-24,31-34H,1-8,13-18H2/t23-,24-/m1/s1
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58n/an/an/an/an/an/an/an/a


TBA

Assay Description
Compound was tested for its binding affinity against Alpha-2 adrenergic receptor


Citation and Details

BindingDB Entry DOI: 10.7270/Q2930WC4
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM50550821
PNG
(CHEMBL4763881)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(c(s1)-c1nc2ccccc2c(=O)n1-c1ccc(C)cc1)-c1ccccc1
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>100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]PSB-603 from rat adenosine receptor A2B expressed in CHO cell membranes incubated for 75 mins by radioligand competition assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111879
BindingDB Entry DOI: 10.7270/Q24T6P0P
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM50550834
PNG
(CHEMBL4784975)
Show SMILES Fc1ccc(C(=O)c2sc(NC(=O)c3ccccc3)nc2-c2ccccc2)c(F)c1
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>100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]PSB-603 from rat adenosine receptor A2B expressed in CHO cell membranes incubated for 75 mins by radioligand competition assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111879
BindingDB Entry DOI: 10.7270/Q24T6P0P
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM50550814
PNG
(CHEMBL4747947)
Show SMILES Clc1ccc(cc1)-n1c(nc2ccccc2c1=O)-c1sc(NC(=O)c2ccco2)nc1-c1ccccc1
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>100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]PSB-603 from rat adenosine receptor A2B expressed in CHO cell membranes incubated for 75 mins by radioligand competition assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111879
BindingDB Entry DOI: 10.7270/Q24T6P0P
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM50550815
PNG
(CHEMBL4752438)
Show SMILES COc1ccc(cc1)-n1c(nc2ccccc2c1=O)-c1sc(NC(=O)c2ccco2)nc1-c1ccccc1
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>100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]PSB-603 from rat adenosine receptor A2B expressed in CHO cell membranes incubated for 75 mins by radioligand competition assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111879
BindingDB Entry DOI: 10.7270/Q24T6P0P
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM50550816
PNG
(CHEMBL4758461)
Show SMILES Cc1ccc(cc1)-n1c(nc2ccccc2c1=O)-c1sc(NC(=O)c2ccco2)nc1-c1ccccc1
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>100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]PSB-603 from rat adenosine receptor A2B expressed in CHO cell membranes incubated for 75 mins by radioligand competition assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111879
BindingDB Entry DOI: 10.7270/Q24T6P0P
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM50550817
PNG
(CHEMBL4745527)
Show SMILES O=C(Nc1nc(c(s1)-c1nc2ccccc2c(=O)n1-c1ccccc1)-c1ccccc1)c1ccco1
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>100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]PSB-603 from rat adenosine receptor A2B expressed in CHO cell membranes incubated for 75 mins by radioligand competition assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111879
BindingDB Entry DOI: 10.7270/Q24T6P0P
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM50550818
PNG
(CHEMBL4797325)
Show SMILES Fc1ccc(C(=O)c2sc(NC(=O)c3ccco3)nc2-c2ccccc2)c(F)c1
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>100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]PSB-603 from rat adenosine receptor A2B expressed in CHO cell membranes incubated for 75 mins by radioligand competition assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111879
BindingDB Entry DOI: 10.7270/Q24T6P0P
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM50550819
PNG
(CHEMBL4796077)
Show SMILES Cc1ccc(cc1)C(=O)c1sc(NC(=O)c2ccco2)nc1-c1ccccc1
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>100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]PSB-603 from rat adenosine receptor A2B expressed in CHO cell membranes incubated for 75 mins by radioligand competition assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111879
BindingDB Entry DOI: 10.7270/Q24T6P0P
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM50550820
PNG
(CHEMBL4746936)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(c(s1)-c1nc2ccccc2c(=O)n1-c1ccc(OC)cc1)-c1ccccc1
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>100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]PSB-603 from rat adenosine receptor A2B expressed in CHO cell membranes incubated for 75 mins by radioligand competition assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111879
BindingDB Entry DOI: 10.7270/Q24T6P0P
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM50550822
PNG
(CHEMBL4757397)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(c(s1)-c1nc2ccccc2c(=O)n1-c1ccccc1)-c1ccccc1
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>100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]PSB-603 from rat adenosine receptor A2B expressed in CHO cell membranes incubated for 75 mins by radioligand competition assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111879
BindingDB Entry DOI: 10.7270/Q24T6P0P
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM50550823
PNG
(CHEMBL4780555)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(c(s1)C(=O)c1ccc(F)cc1F)-c1ccccc1
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>100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]PSB-603 from rat adenosine receptor A2B expressed in CHO cell membranes incubated for 75 mins by radioligand competition assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111879
BindingDB Entry DOI: 10.7270/Q24T6P0P
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM50550824
PNG
(CHEMBL4797181)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(c(s1)C(=O)c1ccc(C)cc1)-c1ccccc1
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>100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]PSB-603 from rat adenosine receptor A2B expressed in CHO cell membranes incubated for 75 mins by radioligand competition assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111879
BindingDB Entry DOI: 10.7270/Q24T6P0P
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM50550825
PNG
(CHEMBL4790122)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(c(s1)C(=O)c1ccc(OC)cc1)-c1ccccc1
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>100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]PSB-603 from rat adenosine receptor A2B expressed in CHO cell membranes incubated for 75 mins by radioligand competition assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111879
BindingDB Entry DOI: 10.7270/Q24T6P0P
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM50550826
PNG
(CHEMBL4795542)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(c(s1)C(=O)c1ccc(Cl)cc1)-c1ccccc1
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>100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]PSB-603 from rat adenosine receptor A2B expressed in CHO cell membranes incubated for 75 mins by radioligand competition assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111879
BindingDB Entry DOI: 10.7270/Q24T6P0P
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM50550827
PNG
(CHEMBL4755914)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(c(s1)C(=O)c1ccccc1)-c1ccccc1
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>100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]PSB-603 from rat adenosine receptor A2B expressed in CHO cell membranes incubated for 75 mins by radioligand competition assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111879
BindingDB Entry DOI: 10.7270/Q24T6P0P
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM50550828
PNG
(CHEMBL1242892)
Show SMILES Clc1ccc(cc1)-n1c(nc2ccccc2c1=O)-c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1
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>100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]PSB-603 from rat adenosine receptor A2B expressed in CHO cell membranes incubated for 75 mins by radioligand competition assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111879
BindingDB Entry DOI: 10.7270/Q24T6P0P
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM50550829
PNG
(CHEMBL1242426)
Show SMILES COc1ccc(cc1)-n1c(nc2ccccc2c1=O)-c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1
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>100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]PSB-603 from rat adenosine receptor A2B expressed in CHO cell membranes incubated for 75 mins by radioligand competition assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111879
BindingDB Entry DOI: 10.7270/Q24T6P0P
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM50550830
PNG
(CHEMBL4787673)
Show SMILES Cc1ccc(cc1)-n1c(nc2ccccc2c1=O)-c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1
PDB

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>100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]PSB-603 from rat adenosine receptor A2B expressed in CHO cell membranes incubated for 75 mins by radioligand competition assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111879
BindingDB Entry DOI: 10.7270/Q24T6P0P
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM50550831
PNG
(CHEMBL1242247)
Show SMILES O=C(Nc1nc(c(s1)-c1nc2ccccc2c(=O)n1-c1ccccc1)-c1ccccc1)c1ccccc1
PDB

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>100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]PSB-603 from rat adenosine receptor A2B expressed in CHO cell membranes incubated for 75 mins by radioligand competition assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111879
BindingDB Entry DOI: 10.7270/Q24T6P0P
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM50550832
PNG
(CHEMBL4764086)
Show SMILES Clc1ccc(cc1)C(=O)c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1
PDB

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>100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]PSB-603 from rat adenosine receptor A2B expressed in CHO cell membranes incubated for 75 mins by radioligand competition assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111879
BindingDB Entry DOI: 10.7270/Q24T6P0P
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM50550833
PNG
(CHEMBL4779033)
Show SMILES O=C(Nc1nc(c(s1)-c1ccccn1)-c1ccccc1)c1ccccc1
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>100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]PSB-603 from rat adenosine receptor A2B expressed in CHO cell membranes incubated for 75 mins by radioligand competition assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111879
BindingDB Entry DOI: 10.7270/Q24T6P0P
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM50397728
PNG
(CHEMBL2181976)
Show SMILES Cc1cc(C)cc(c1)-c1nc(NC(=O)c2cccnc2)sc1-c1ccncc1
Show InChI InChI=1S/C22H18N4OS/c1-14-10-15(2)12-18(11-14)19-20(16-5-8-23-9-6-16)28-22(25-19)26-21(27)17-4-3-7-24-13-17/h3-13H,1-2H3,(H,25,26,27)
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163n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] DPCPX from rat adenosine A2B receptor expressed in HEK293 cells incubated for 60 mins by radioligand binding assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00685
BindingDB Entry DOI: 10.7270/Q2930Z2X
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM50020960
PNG
(1-Allyl-3-methyl-8-phenyl-3,7-dihydro-purine-2,6-d...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(CC=C)c1=O)-c1ccccc1
Show InChI InChI=1S/C15H14N4O2/c1-3-9-19-14(20)11-13(18(2)15(19)21)17-12(16-11)10-7-5-4-6-8-10/h3-8H,1,9H2,2H3,(H,16,17)
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174n/an/an/an/an/an/an/an/a



National Institute of Diabetes & Digestive & Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [125I]-APOBX binding to rat Adenosine A2B receptor expressed in HEK cells


J Med Chem 45: 2131-8 (2002)


BindingDB Entry DOI: 10.7270/Q2V1243G
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM50058225
PNG
(CHEMBL45244 | N-((4-(2-cyanophenyl)piperazin-1-yl)...)
Show SMILES Cc1cccc(c1)C(=O)NCN1CCN(CC1)c1ccccc1C#N
Show InChI InChI=1S/C20H22N4O/c1-16-5-4-7-17(13-16)20(25)22-15-23-9-11-24(12-10-23)19-8-3-2-6-18(19)14-21/h2-8,13H,9-12,15H2,1H3,(H,22,25)
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177n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity of the compound at Alpha-2 adrenergic receptor


J Med Chem 40: 1771-2 (1997)


Article DOI: 10.1021/jm970021c
BindingDB Entry DOI: 10.7270/Q2DB80XX
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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186n/an/an/an/an/an/an/an/a



National Institute of Diabetes & Digestive & Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [125I]-APOBX binding to rat Adenosine A2B receptor expressed in HEK cells


J Med Chem 45: 2131-8 (2002)


BindingDB Entry DOI: 10.7270/Q2V1243G
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM50213353
PNG
(CHEMBL308295)
Show SMILES [H][C@]1(Cc2ccc(O)c(O)c2)CCCN1CCCCCCN(CCC)CCc1ccc(O)c(O)c1
Show InChI InChI=1S/C28H42N2O4/c1-2-14-29(18-13-22-9-11-25(31)27(33)20-22)15-5-3-4-6-16-30-17-7-8-24(30)19-23-10-12-26(32)28(34)21-23/h9-12,20-21,24,31-34H,2-8,13-19H2,1H3/t24-/m1/s1
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302n/an/an/an/an/an/an/an/a


TBA

Assay Description
Compound was tested for its binding affinity against Alpha-2 adrenergic receptor


Citation and Details

BindingDB Entry DOI: 10.7270/Q2930WC4
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM50213354
PNG
(CHEMBL80974)
Show SMILES Oc1ccc(C[C@H]2CCCN2CCCCCCN2CCC[C@H]2Cc2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C28H40N2O4/c31-25-11-9-21(19-27(25)33)17-23-7-5-15-29(23)13-3-1-2-4-14-30-16-6-8-24(30)18-22-10-12-26(32)28(34)20-22/h9-12,19-20,23-24,31-34H,1-8,13-18H2/t23-,24+
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933n/an/an/an/an/an/an/an/a


TBA

Assay Description
Compound was tested for its binding affinity against Alpha-2 adrenergic receptor


Citation and Details

BindingDB Entry DOI: 10.7270/Q2930WC4
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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977n/an/an/an/an/an/an/an/a


TBA

Assay Description
Compound was tested for its binding affinity against Alpha-2 adrenergic receptor


Citation and Details

BindingDB Entry DOI: 10.7270/Q2930WC4
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM50187588
PNG
(CHEMBL3827201)
Show SMILES CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C29H42N6O3/c1-3-5-17-34-26-25(27(36)35(29(34)37)18-6-4-2)33-20-10-19-32(28(33)30-26)23-11-13-24(14-12-23)38-22-21-31-15-8-7-9-16-31/h11-14H,3-10,15-22H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-603 from recombinant rat adenosine receptor A2b expressed in CHO cell membranes


Bioorg Med Chem 24: 4347-4362 (2016)


Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM50187585
PNG
(CHEMBL3827074)
Show SMILES CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C28H40N6O3/c1-3-5-16-33-25-24(26(35)34(28(33)36)17-6-4-2)32-19-9-18-31(27(32)29-25)22-10-12-23(13-11-22)37-21-20-30-14-7-8-15-30/h10-13H,3-9,14-21H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-603 from recombinant rat adenosine receptor A2b expressed in CHO cell membranes


Bioorg Med Chem 24: 4347-4362 (2016)


Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM50187584
PNG
(CHEMBL3827187)
Show SMILES CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(OCCN(CC)CC)cc1
Show InChI InChI=1S/C28H42N6O3/c1-5-9-16-33-25-24(26(35)34(28(33)36)17-10-6-2)32-19-11-18-31(27(32)29-25)22-12-14-23(15-13-22)37-21-20-30(7-3)8-4/h12-15H,5-11,16-21H2,1-4H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-603 from recombinant rat adenosine receptor A2b expressed in CHO cell membranes


Bioorg Med Chem 24: 4347-4362 (2016)


Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM50187587
PNG
(CHEMBL3827598)
Show SMILES CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(OCCN(C)C)cc1
Show InChI InChI=1S/C26H38N6O3/c1-5-7-14-31-23-22(24(33)32(26(31)34)15-8-6-2)30-17-9-16-29(25(30)27-23)20-10-12-21(13-11-20)35-19-18-28(3)4/h10-13H,5-9,14-19H2,1-4H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-603 from recombinant rat adenosine receptor A2b expressed in CHO cell membranes


Bioorg Med Chem 24: 4347-4362 (2016)


Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM50187589
PNG
(CHEMBL3827859)
Show SMILES CCN(CC)CCOc1ccc(CCN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1
Show InChI InChI=1S/C24H34N6O3/c1-5-28(6-2)16-17-33-19-10-8-18(9-11-19)12-15-29-13-7-14-30-20-21(25-23(29)30)26(3)24(32)27(4)22(20)31/h8-11H,5-7,12-17H2,1-4H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-603 from recombinant rat adenosine receptor A2b expressed in CHO cell membranes


Bioorg Med Chem 24: 4347-4362 (2016)


Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM50187586
PNG
(CHEMBL3827623)
Show SMILES CCCn1c2nc3N(CCCn3c2c(=O)n(CCC)c1=O)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C26H36N6O3/c1-3-12-31-23-22(24(33)32(13-4-2)26(31)34)30-17-7-16-29(25(30)27-23)20-8-10-21(11-9-20)35-19-18-28-14-5-6-15-28/h8-11H,3-7,12-19H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-603 from recombinant rat adenosine receptor A2b expressed in CHO cell membranes


Bioorg Med Chem 24: 4347-4362 (2016)


Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM50014154
PNG
(2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...)
Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)
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>1.00E+3n/an/an/an/an/an/an/an/a



Pfizer central Research

Curated by ChEMBL


Assay Description
Binding affinity for Alpha-2 adrenergic receptor was determined by using [3H]p-aminoclonidine as radioligand


J Med Chem 33: 2715-20 (1990)


BindingDB Entry DOI: 10.7270/Q2H995S5
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM50048466
PNG
(2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,...)
Show SMILES Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22)
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS- 21680 from rat striatal membrane adenosine A2B receptor


J Med Chem 46: 1229-41 (2003)


Article DOI: 10.1021/jm021023m
BindingDB Entry DOI: 10.7270/Q28916KP
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM50187590
PNG
(CHEMBL3827583)
Show SMILES CCn1c2nc3N(CCc4ccc(O)cc4)CCCn3c2c(=O)n(CC)c1=O
Show InChI InChI=1S/C20H25N5O3/c1-3-23-17-16(18(27)24(4-2)20(23)28)25-12-5-11-22(19(25)21-17)13-10-14-6-8-15(26)9-7-14/h6-9,26H,3-5,10-13H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-603 from recombinant rat adenosine receptor A2b expressed in CHO cell membranes


Bioorg Med Chem 24: 4347-4362 (2016)


Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM50070518
PNG
((R)-3-{2-[4-(3,4-Dimethyl-phenyl)-piperazin-1-yl]-...)
Show SMILES Cc1ccc(cc1C)N1CCN(CC[C@H]2NC(=O)c3ccccc23)CC1
Show InChI InChI=1S/C22H27N3O/c1-16-7-8-18(15-17(16)2)25-13-11-24(12-14-25)10-9-21-19-5-3-4-6-20(19)22(26)23-21/h3-8,15,21H,9-14H2,1-2H3,(H,23,26)/t21-/m1/s1
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1.02E+3n/an/an/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vivo binding affinity was evaluated against Alpha-2 adrenergic receptor


Bioorg Med Chem Lett 8: 1499-502 (1999)


BindingDB Entry DOI: 10.7270/Q2WH2P54
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM50187591
PNG
(CHEMBL3827331)
Show SMILES CCCCn1c2nc3N(CCc4ccc(OCCN(CC)CC)cc4)CCCn3c2c(=O)n(CCCC)c1=O
Show InChI InChI=1S/C30H46N6O3/c1-5-9-18-35-27-26(28(37)36(30(35)38)19-10-6-2)34-20-11-17-33(29(34)31-27)21-16-24-12-14-25(15-13-24)39-23-22-32(7-3)8-4/h12-15H,5-11,16-23H2,1-4H3
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1.10E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-603 from recombinant rat adenosine receptor A2b expressed in CHO cell membranes


Bioorg Med Chem 24: 4347-4362 (2016)


Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM50213355
PNG
(CHEMBL80686)
Show SMILES Oc1ccc(C[C@@H]2CCCN2CCCCCCN2CCC[C@H]2Cc2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C28H40N2O4/c31-25-11-9-21(19-27(25)33)17-23-7-5-15-29(23)13-3-1-2-4-14-30-16-6-8-24(30)18-22-10-12-26(32)28(34)20-22/h9-12,19-20,23-24,31-34H,1-8,13-18H2/t23-,24-/m0/s1
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1.45E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Compound was tested for its binding affinity against Alpha-2 adrenergic receptor


Citation and Details

BindingDB Entry DOI: 10.7270/Q2930WC4
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM50113237
PNG
(1-Allyl-7-(2-chloro-ethyl)-3-methyl-8-phenyl-3,7-d...)
Show SMILES Cn1c2nc(-c3ccccc3)n(CCCl)c2c(=O)n(CC=C)c1=O
Show InChI InChI=1S/C17H17ClN4O2/c1-3-10-22-16(23)13-15(20(2)17(22)24)19-14(21(13)11-9-18)12-7-5-4-6-8-12/h3-8H,1,9-11H2,2H3
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1.70E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes & Digestive & Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [125I]-APOBX binding to rat Adenosine A2B receptor expressed in HEK cells


J Med Chem 45: 2131-8 (2002)


BindingDB Entry DOI: 10.7270/Q2V1243G
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM50070514
PNG
((S)-3-{2-[4-(3,4-Dimethyl-phenyl)-piperazin-1-yl]-...)
Show SMILES Cc1ccc(cc1C)N1CCN(CC[C@@H]2NC(=O)c3ccccc23)CC1
Show InChI InChI=1S/C22H27N3O/c1-16-7-8-18(15-17(16)2)25-13-11-24(12-14-25)10-9-21-19-5-3-4-6-20(19)22(26)23-21/h3-8,15,21H,9-14H2,1-2H3,(H,23,26)/t21-/m0/s1
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1.71E+3n/an/an/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vivo binding affinity was evaluated against Alpha-2 adrenergic receptor


Bioorg Med Chem Lett 8: 1499-502 (1999)


BindingDB Entry DOI: 10.7270/Q2WH2P54
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM50001490
PNG
(1-Propyl-3,7-dihydro-purine-2,6-dione | CHEMBL3998...)
Show SMILES CCCn1c(=O)[nH]c2nc[nH]c2c1=O
Show InChI InChI=1S/C8H10N4O2/c1-2-3-12-7(13)5-6(10-4-9-5)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,14)
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1.88E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes & Digestive & Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [125I]-APOBX binding to rat Adenosine A2B receptor expressed in HEK cells


J Med Chem 45: 2131-8 (2002)


BindingDB Entry DOI: 10.7270/Q2V1243G
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM50042208
PNG
(3-Methyl-1-prop-2-ynyl-3,7-dihydro-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(CC#C)c1=O
Show InChI InChI=1S/C9H8N4O2/c1-3-4-13-8(14)6-7(11-5-10-6)12(2)9(13)15/h1,5H,4H2,2H3,(H,10,11)
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2.15E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes & Digestive & Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [125I]-APOBX binding to rat Adenosine A2B receptor expressed in HEK cells


J Med Chem 45: 2131-8 (2002)


BindingDB Entry DOI: 10.7270/Q2V1243G
More data for this
Ligand-Target Pair
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