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PubMed code 14998332

Compile Data Set for Download or QSAR

Found 328 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))
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))
BDBM50021450
PNG
(8-(4-Amino-phenyl)-1,3-dipropyl-3,7-dihydro-purine...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(N)cc1
Show InChI InChI=1S/C17H21N5O2/c1-3-9-21-15-13(16(23)22(10-4-2)17(21)24)19-14(20-15)11-5-7-12(18)8-6-11/h5-8H,3-4,9-10,18H2,1-2H3,(H,19,20)
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9n/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))
BDBM50140942
PNG
(CHEMBL33491 | N-(3,4-Dimethyl-phenyl)-2-[5-(2,6-di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(C)c(C)c2)nn1C
Show InChI InChI=1S/C25H31N7O4/c1-6-10-31-23-21(24(34)32(11-7-2)25(31)35)27-22(28-23)18-13-20(29-30(18)5)36-14-19(33)26-17-9-8-15(3)16(4)12-17/h8-9,12-13H,6-7,10-11,14H2,1-5H3,(H,26,33)(H,27,28)
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10n/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))
BDBM50140942
PNG
(CHEMBL33491 | N-(3,4-Dimethyl-phenyl)-2-[5-(2,6-di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(C)c(C)c2)nn1C
Show InChI InChI=1S/C25H31N7O4/c1-6-10-31-23-21(24(34)32(11-7-2)25(31)35)27-22(28-23)18-13-20(29-30(18)5)36-14-19(33)26-17-9-8-15(3)16(4)12-17/h8-9,12-13H,6-7,10-11,14H2,1-5H3,(H,26,33)(H,27,28)
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10n/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))
BDBM50140967
PNG
(CHEMBL33305 | N-(3,4-Dimethoxy-phenyl)-2-[5-(2,6-d...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(OC)c(OC)c2)nn1C
Show InChI InChI=1S/C25H31N7O6/c1-6-10-31-23-21(24(34)32(11-7-2)25(31)35)27-22(28-23)16-13-20(29-30(16)3)38-14-19(33)26-15-8-9-17(36-4)18(12-15)37-5/h8-9,12-13H,6-7,10-11,14H2,1-5H3,(H,26,33)(H,27,28)
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12n/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))
BDBM50140967
PNG
(CHEMBL33305 | N-(3,4-Dimethoxy-phenyl)-2-[5-(2,6-d...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(OC)c(OC)c2)nn1C
Show InChI InChI=1S/C25H31N7O6/c1-6-10-31-23-21(24(34)32(11-7-2)25(31)35)27-22(28-23)16-13-20(29-30(16)3)38-14-19(33)26-15-8-9-17(36-4)18(12-15)37-5/h8-9,12-13H,6-7,10-11,14H2,1-5H3,(H,26,33)(H,27,28)
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12n/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))
BDBM50140946
PNG
(8-{2-Methyl-5-[2-oxo-2-(4-phenyl-piperazin-1-yl)-e...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)N2CCN(CC2)c2ccccc2)nn1C
Show InChI InChI=1S/C27H34N8O4/c1-4-11-34-25-23(26(37)35(12-5-2)27(34)38)28-24(29-25)20-17-21(30-31(20)3)39-18-22(36)33-15-13-32(14-16-33)19-9-7-6-8-10-19/h6-10,17H,4-5,11-16,18H2,1-3H3,(H,28,29)
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12n/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))
BDBM50140946
PNG
(8-{2-Methyl-5-[2-oxo-2-(4-phenyl-piperazin-1-yl)-e...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)N2CCN(CC2)c2ccccc2)nn1C
Show InChI InChI=1S/C27H34N8O4/c1-4-11-34-25-23(26(37)35(12-5-2)27(34)38)28-24(29-25)20-17-21(30-31(20)3)39-18-22(36)33-15-13-32(14-16-33)19-9-7-6-8-10-19/h6-10,17H,4-5,11-16,18H2,1-3H3,(H,28,29)
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12n/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))
BDBM50140970
PNG
(2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(F)cc2)nn1C
Show InChI InChI=1S/C23H26FN7O4/c1-4-10-30-21-19(22(33)31(11-5-2)23(30)34)26-20(27-21)16-12-18(28-29(16)3)35-13-17(32)25-15-8-6-14(24)7-9-15/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,25,32)(H,26,27)
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12n/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))
BDBM50140970
PNG
(2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(F)cc2)nn1C
Show InChI InChI=1S/C23H26FN7O4/c1-4-10-30-21-19(22(33)31(11-5-2)23(30)34)26-20(27-21)16-12-18(28-29(16)3)35-13-17(32)25-15-8-6-14(24)7-9-15/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,25,32)(H,26,27)
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12n/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))
BDBM50140951
PNG
(CHEMBL32229 | N-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(OCc3ccccc3C(F)(F)F)cc2)nn1C
Show InChI InChI=1S/C31H32F3N7O4/c1-4-14-40-28-26(29(43)41(15-5-2)30(40)44)36-27(37-28)23-17-24(38-39(23)3)35-25(42)16-19-10-12-21(13-11-19)45-18-20-8-6-7-9-22(20)31(32,33)34/h6-13,17H,4-5,14-16,18H2,1-3H3,(H,36,37)(H,35,38,42)
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13n/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))
BDBM50140951
PNG
(CHEMBL32229 | N-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(OCc3ccccc3C(F)(F)F)cc2)nn1C
Show InChI InChI=1S/C31H32F3N7O4/c1-4-14-40-28-26(29(43)41(15-5-2)30(40)44)36-27(37-28)23-17-24(38-39(23)3)35-25(42)16-19-10-12-21(13-11-19)45-18-20-8-6-7-9-22(20)31(32,33)34/h6-13,17H,4-5,14-16,18H2,1-3H3,(H,36,37)(H,35,38,42)
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13n/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))
BDBM50140946
PNG
(8-{2-Methyl-5-[2-oxo-2-(4-phenyl-piperazin-1-yl)-e...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)N2CCN(CC2)c2ccccc2)nn1C
Show InChI InChI=1S/C27H34N8O4/c1-4-11-34-25-23(26(37)35(12-5-2)27(34)38)28-24(29-25)20-17-21(30-31(20)3)39-18-22(36)33-15-13-32(14-16-33)19-9-7-6-8-10-19/h6-10,17H,4-5,11-16,18H2,1-3H3,(H,28,29)
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15n/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))
BDBM50140946
PNG
(8-{2-Methyl-5-[2-oxo-2-(4-phenyl-piperazin-1-yl)-e...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)N2CCN(CC2)c2ccccc2)nn1C
Show InChI InChI=1S/C27H34N8O4/c1-4-11-34-25-23(26(37)35(12-5-2)27(34)38)28-24(29-25)20-17-21(30-31(20)3)39-18-22(36)33-15-13-32(14-16-33)19-9-7-6-8-10-19/h6-10,17H,4-5,11-16,18H2,1-3H3,(H,28,29)
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15n/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))
BDBM50140971
PNG
(CHEMBL32802 | N-(3,4-Dichloro-phenyl)-2-[5-(2,6-di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)nn1C
Show InChI InChI=1S/C23H25Cl2N7O4/c1-4-8-31-21-19(22(34)32(9-5-2)23(31)35)27-20(28-21)16-11-18(29-30(16)3)36-12-17(33)26-13-6-7-14(24)15(25)10-13/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,26,33)(H,27,28)
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16n/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))
BDBM50140971
PNG
(CHEMBL32802 | N-(3,4-Dichloro-phenyl)-2-[5-(2,6-di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)nn1C
Show InChI InChI=1S/C23H25Cl2N7O4/c1-4-8-31-21-19(22(34)32(9-5-2)23(31)35)27-20(28-21)16-11-18(29-30(16)3)36-12-17(33)26-13-6-7-14(24)15(25)10-13/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,26,33)(H,27,28)
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16n/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))
BDBM50140955
PNG
(2-Benzo[1,3]dioxol-5-yl-N-[5-(2,6-dioxo-1,3-diprop...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc3OCOc3c2)nn1C
Show InChI InChI=1S/C24H27N7O5/c1-4-8-30-22-20(23(33)31(9-5-2)24(30)34)26-21(27-22)15-12-18(28-29(15)3)25-19(32)11-14-6-7-16-17(10-14)36-13-35-16/h6-7,10,12H,4-5,8-9,11,13H2,1-3H3,(H,26,27)(H,25,28,32)
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18n/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))
BDBM50140955
PNG
(2-Benzo[1,3]dioxol-5-yl-N-[5-(2,6-dioxo-1,3-diprop...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc3OCOc3c2)nn1C
Show InChI InChI=1S/C24H27N7O5/c1-4-8-30-22-20(23(33)31(9-5-2)24(30)34)26-21(27-22)15-12-18(28-29(15)3)25-19(32)11-14-6-7-16-17(10-14)36-13-35-16/h6-7,10,12H,4-5,8-9,11,13H2,1-3H3,(H,26,27)(H,25,28,32)
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18n/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))
BDBM50140964
PNG
(2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(C)cc2)nn1C
Show InChI InChI=1S/C24H29N7O4/c1-5-11-30-22-20(23(33)31(12-6-2)24(30)34)26-21(27-22)17-13-19(28-29(17)4)35-14-18(32)25-16-9-7-15(3)8-10-16/h7-10,13H,5-6,11-12,14H2,1-4H3,(H,25,32)(H,26,27)
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19n/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))
BDBM50140964
PNG
(2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(C)cc2)nn1C
Show InChI InChI=1S/C24H29N7O4/c1-5-11-30-22-20(23(33)31(12-6-2)24(30)34)26-21(27-22)17-13-19(28-29(17)4)35-14-18(32)25-16-9-7-15(3)8-10-16/h7-10,13H,5-6,11-12,14H2,1-4H3,(H,25,32)(H,26,27)
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19n/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))
BDBM50140944
PNG
(CHEMBL287529 | N-(4-Bromo-phenyl)-2-[5-(2,6-dioxo-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(Br)cc2)nn1C
Show InChI InChI=1S/C23H26BrN7O4/c1-4-10-30-21-19(22(33)31(11-5-2)23(30)34)26-20(27-21)16-12-18(28-29(16)3)35-13-17(32)25-15-8-6-14(24)7-9-15/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,25,32)(H,26,27)
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20n/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))
BDBM50140944
PNG
(CHEMBL287529 | N-(4-Bromo-phenyl)-2-[5-(2,6-dioxo-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(Br)cc2)nn1C
Show InChI InChI=1S/C23H26BrN7O4/c1-4-10-30-21-19(22(33)31(11-5-2)23(30)34)26-20(27-21)16-12-18(28-29(16)3)35-13-17(32)25-15-8-6-14(24)7-9-15/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,25,32)(H,26,27)
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20n/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))
BDBM50140985
PNG
(2-(4-Chloro-phenyl)-N-[5-(2,6-dioxo-1,3-dipropyl-2...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(Cl)cc2)nn1C
Show InChI InChI=1S/C23H26ClN7O3/c1-4-10-30-21-19(22(33)31(11-5-2)23(30)34)26-20(27-21)16-13-17(28-29(16)3)25-18(32)12-14-6-8-15(24)9-7-14/h6-9,13H,4-5,10-12H2,1-3H3,(H,26,27)(H,25,28,32)
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28n/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))
BDBM50140985
PNG
(2-(4-Chloro-phenyl)-N-[5-(2,6-dioxo-1,3-dipropyl-2...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(Cl)cc2)nn1C
Show InChI InChI=1S/C23H26ClN7O3/c1-4-10-30-21-19(22(33)31(11-5-2)23(30)34)26-20(27-21)16-13-17(28-29(16)3)25-18(32)12-14-6-8-15(24)9-7-14/h6-9,13H,4-5,10-12H2,1-3H3,(H,26,27)(H,25,28,32)
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28n/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))
BDBM50140956
PNG
(4-{2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(cc2)C(=O)OCC)nn1C
Show InChI InChI=1S/C26H31N7O6/c1-5-12-32-23-21(24(35)33(13-6-2)26(32)37)28-22(29-23)18-14-20(30-31(18)4)39-15-19(34)27-17-10-8-16(9-11-17)25(36)38-7-3/h8-11,14H,5-7,12-13,15H2,1-4H3,(H,27,34)(H,28,29)
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32n/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))
BDBM50140956
PNG
(4-{2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(cc2)C(=O)OCC)nn1C
Show InChI InChI=1S/C26H31N7O6/c1-5-12-32-23-21(24(35)33(13-6-2)26(32)37)28-22(29-23)18-14-20(30-31(18)4)39-15-19(34)27-17-10-8-16(9-11-17)25(36)38-7-3/h8-11,14H,5-7,12-13,15H2,1-4H3,(H,27,34)(H,28,29)
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32n/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))
BDBM50140989
PNG
(CHEMBL32281 | N-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccccc2)n(C)n1
Show InChI InChI=1S/C23H27N7O3/c1-4-11-29-21-19(22(32)30(12-5-2)23(29)33)25-20(26-21)16-14-17(28(3)27-16)24-18(31)13-15-9-7-6-8-10-15/h6-10,14H,4-5,11-13H2,1-3H3,(H,24,31)(H,25,26)
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34n/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))
BDBM50140989
PNG
(CHEMBL32281 | N-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccccc2)n(C)n1
Show InChI InChI=1S/C23H27N7O3/c1-4-11-29-21-19(22(32)30(12-5-2)23(29)33)25-20(26-21)16-14-17(28(3)27-16)24-18(31)13-15-9-7-6-8-10-15/h6-10,14H,4-5,11-13H2,1-3H3,(H,24,31)(H,25,26)
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34n/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))
BDBM50140994
PNG
(CHEMBL32481 | N-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccccc2)nn1C
Show InChI InChI=1S/C23H27N7O3/c1-4-11-29-21-19(22(32)30(12-5-2)23(29)33)25-20(26-21)16-14-17(27-28(16)3)24-18(31)13-15-9-7-6-8-10-15/h6-10,14H,4-5,11-13H2,1-3H3,(H,25,26)(H,24,27,31)
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35n/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))
BDBM50140994
PNG
(CHEMBL32481 | N-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccccc2)nn1C
Show InChI InChI=1S/C23H27N7O3/c1-4-11-29-21-19(22(32)30(12-5-2)23(29)33)25-20(26-21)16-14-17(27-28(16)3)24-18(31)13-15-9-7-6-8-10-15/h6-10,14H,4-5,11-13H2,1-3H3,(H,25,26)(H,24,27,31)
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35n/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))
BDBM50140943
PNG
(4-{2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(cc2)C(O)=O)nn1C
Show InChI InChI=1S/C24H27N7O6/c1-4-10-30-21-19(22(33)31(11-5-2)24(30)36)26-20(27-21)16-12-18(28-29(16)3)37-13-17(32)25-15-8-6-14(7-9-15)23(34)35/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,25,32)(H,26,27)(H,34,35)
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36n/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))
BDBM50140943
PNG
(4-{2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(cc2)C(O)=O)nn1C
Show InChI InChI=1S/C24H27N7O6/c1-4-10-30-21-19(22(33)31(11-5-2)24(30)36)26-20(27-21)16-12-18(28-29(16)3)37-13-17(32)25-15-8-6-14(7-9-15)23(34)35/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,25,32)(H,26,27)(H,34,35)
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36n/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))
BDBM50229886
PNG
(2-(3,4-Dimethoxy-phenyl)-N-[5-(2,6-dioxo-1,3-dipro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(OC)c(OC)c2)nn1C
Show InChI InChI=1S/C25H31N7O5/c1-6-10-31-23-21(24(34)32(11-7-2)25(31)35)27-22(28-23)16-14-19(29-30(16)3)26-20(33)13-15-8-9-17(36-4)18(12-15)37-5/h8-9,12,14H,6-7,10-11,13H2,1-5H3,(H,27,28)(H,26,29,33)
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38n/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))
BDBM50229886
PNG
(2-(3,4-Dimethoxy-phenyl)-N-[5-(2,6-dioxo-1,3-dipro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(OC)c(OC)c2)nn1C
Show InChI InChI=1S/C25H31N7O5/c1-6-10-31-23-21(24(34)32(11-7-2)25(31)35)27-22(28-23)16-14-19(29-30(16)3)26-20(33)13-15-8-9-17(36-4)18(12-15)37-5/h8-9,12,14H,6-7,10-11,13H2,1-5H3,(H,27,28)(H,26,29,33)
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38n/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))
BDBM50141008
PNG
(1-(3-Chloro-phenyl)-3-[5-(2,6-dioxo-1,3-dipropyl-2...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Nc2cccc(Cl)c2)nn1C
Show InChI InChI=1S/C22H25ClN8O3/c1-4-9-30-19-17(20(32)31(10-5-2)22(30)34)26-18(27-19)15-12-16(28-29(15)3)25-21(33)24-14-8-6-7-13(23)11-14/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,26,27)(H2,24,25,28,33)
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39n/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))
BDBM50141000
PNG
(2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccncc2)nn1C
Show InChI InChI=1S/C22H26N8O4/c1-4-10-29-20-18(21(32)30(11-5-2)22(29)33)25-19(26-20)15-12-17(27-28(15)3)34-13-16(31)24-14-6-8-23-9-7-14/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,25,26)(H,23,24,31)
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41n/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))
BDBM50140988
PNG
(CHEMBL32582 | N-Benzo[1,3]dioxol-5-yl-2-[5-(2,6-di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc3OCOc3c2)no1
Show InChI InChI=1S/C23H24N6O7/c1-3-7-28-21-19(22(31)29(8-4-2)23(28)32)25-20(26-21)16-10-18(27-36-16)33-11-17(30)24-13-5-6-14-15(9-13)35-12-34-14/h5-6,9-10H,3-4,7-8,11-12H2,1-2H3,(H,24,30)(H,25,26)
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47n/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))
BDBM50140988
PNG
(CHEMBL32582 | N-Benzo[1,3]dioxol-5-yl-2-[5-(2,6-di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc3OCOc3c2)no1
Show InChI InChI=1S/C23H24N6O7/c1-3-7-28-21-19(22(31)29(8-4-2)23(28)32)25-20(26-21)16-10-18(27-36-16)33-11-17(30)24-13-5-6-14-15(9-13)35-12-34-14/h5-6,9-10H,3-4,7-8,11-12H2,1-2H3,(H,24,30)(H,25,26)
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47n/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 A1


(Homo sapiens (Human))
BDBM50140995
PNG
(CHEMBL33653 | N-(4-Bromo-phenyl)-2-[5-(1,3-diisobu...)
Show SMILES CC(C)Cn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cc(OCC(=O)Nc2ccc(Br)cc2)n(C)n1
Show InChI InChI=1S/C25H30BrN7O4/c1-14(2)11-32-23-21(24(35)33(25(32)36)12-15(3)4)28-22(29-23)18-10-20(31(5)30-18)37-13-19(34)27-17-8-6-16(26)7-9-17/h6-10,14-15H,11-13H2,1-5H3,(H,27,34)(H,28,29)
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49n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]DPCPX binding at human adenosine A1 receptor expressed in CHO 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))
BDBM50141004
PNG
(CHEMBL32770 | N-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2cccc(F)c2)nn1C
Show InChI InChI=1S/C23H26FN7O3/c1-4-9-30-21-19(22(33)31(10-5-2)23(30)34)26-20(27-21)16-13-17(28-29(16)3)25-18(32)12-14-7-6-8-15(24)11-14/h6-8,11,13H,4-5,9-10,12H2,1-3H3,(H,26,27)(H,25,28,32)
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50n/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))
BDBM50141004
PNG
(CHEMBL32770 | N-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2cccc(F)c2)nn1C
Show InChI InChI=1S/C23H26FN7O3/c1-4-9-30-21-19(22(33)31(10-5-2)23(30)34)26-20(27-21)16-13-17(28-29(16)3)25-18(32)12-14-7-6-8-15(24)11-14/h6-8,11,13H,4-5,9-10,12H2,1-3H3,(H,26,27)(H,25,28,32)
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50n/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))
BDBM50141002
PNG
(CHEMBL289002 | N-(3,4-Dimethoxy-phenyl)-2-[5-(2,6-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(OC)c(OC)c2)no1
Show InChI InChI=1S/C24H28N6O7/c1-5-9-29-22-20(23(32)30(10-6-2)24(29)33)26-21(27-22)17-12-19(28-37-17)36-13-18(31)25-14-7-8-15(34-3)16(11-14)35-4/h7-8,11-12H,5-6,9-10,13H2,1-4H3,(H,25,31)(H,26,27)
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51n/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))
BDBM50140990
PNG
(2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(OC)cc2)no1
Show InChI InChI=1S/C23H26N6O6/c1-4-10-28-21-19(22(31)29(11-5-2)23(28)32)25-20(26-21)16-12-18(27-35-16)34-13-17(30)24-14-6-8-15(33-3)9-7-14/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,24,30)(H,25,26)
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53n/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 A1


(Homo sapiens (Human))
BDBM50140989
PNG
(CHEMBL32281 | N-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccccc2)n(C)n1
Show InChI InChI=1S/C23H27N7O3/c1-4-11-29-21-19(22(32)30(12-5-2)23(29)33)25-20(26-21)16-14-17(28(3)27-16)24-18(31)13-15-9-7-6-8-10-15/h6-10,14H,4-5,11-13H2,1-3H3,(H,24,31)(H,25,26)
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55n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]DPCPX binding at human adenosine A1 receptor expressed in CHO 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))
BDBM50140957
PNG
(8-(5-{2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-2-oxo...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)N2CCN(CC2)c2ccc(F)cc2)nn1C
Show InChI InChI=1S/C27H33FN8O4/c1-4-10-35-25-23(26(38)36(11-5-2)27(35)39)29-24(30-25)20-16-21(31-32(20)3)40-17-22(37)34-14-12-33(13-15-34)19-8-6-18(28)7-9-19/h6-9,16H,4-5,10-15,17H2,1-3H3,(H,29,30)
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55n/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 A1


(Homo sapiens (Human))
BDBM50140951
PNG
(CHEMBL32229 | N-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(OCc3ccccc3C(F)(F)F)cc2)nn1C
Show InChI InChI=1S/C31H32F3N7O4/c1-4-14-40-28-26(29(43)41(15-5-2)30(40)44)36-27(37-28)23-17-24(38-39(23)3)35-25(42)16-19-10-12-21(13-11-19)45-18-20-8-6-7-9-22(20)31(32,33)34/h6-13,17H,4-5,14-16,18H2,1-3H3,(H,36,37)(H,35,38,42)
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56n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]DPCPX binding at human adenosine A1 receptor expressed in CHO 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))
BDBM50140968
PNG
(CHEMBL285900 | N-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(OCc3ccccc3)cc2)nn1C
Show InChI InChI=1S/C30H33N7O4/c1-4-15-36-28-26(29(39)37(16-5-2)30(36)40)32-27(33-28)23-18-24(34-35(23)3)31-25(38)17-20-11-13-22(14-12-20)41-19-21-9-7-6-8-10-21/h6-14,18H,4-5,15-17,19H2,1-3H3,(H,32,33)(H,31,34,38)
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56n/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))
BDBM50140968
PNG
(CHEMBL285900 | N-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(OCc3ccccc3)cc2)nn1C
Show InChI InChI=1S/C30H33N7O4/c1-4-15-36-28-26(29(39)37(16-5-2)30(36)40)32-27(33-28)23-18-24(34-35(23)3)31-25(38)17-20-11-13-22(14-12-20)41-19-21-9-7-6-8-10-21/h6-14,18H,4-5,15-17,19H2,1-3H3,(H,32,33)(H,31,34,38)
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56n/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))
BDBM50140966
PNG
(1-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(NC(=O)Nc2cccc(OC)c2)cc1
Show InChI InChI=1S/C25H28N6O4/c1-4-13-30-22-20(23(32)31(14-5-2)25(30)34)28-21(29-22)16-9-11-17(12-10-16)26-24(33)27-18-7-6-8-19(15-18)35-3/h6-12,15H,4-5,13-14H2,1-3H3,(H,28,29)(H2,26,27,33)
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58n/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
Displayed 1 to 50 (of 328 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%