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21 similar compounds to monomer 50321543

Compile data set for download or QSAR
Wt: 359.4
BDBM50321520
Wt: 359.3
BDBM50321524
Wt: 373.4
BDBM50321525
Wt: 387.4
BDBM50321526
Wt: 415.4
BDBM50321527
Wt: 403.4
BDBM50321530
Wt: 417.4
BDBM50321531
Wt: 447.5
BDBM50321539
Wt: 394.4
BDBM50321540
Wt: 427.4
BDBM50321541
Wt: 462.5
BDBM50321542
Wt: 466.5
BDBM50321544
Wt: 435.4
BDBM50321545
Wt: 435.4
BDBM50321547
Wt: 480.5
BDBM50321548
Displayed 1 to 15 (of 21 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 58 hits for monomerid = 50321520,50321524,50321525,50321526,50321527,50321530,50321531,50321539,50321540,50321541,50321542,50321544,50321545,50321547,50321548   
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 A2


(Homo sapiens (Human))
BDBM50321527
PNG
(4-fluoro-N-(7-(N-isobutylacetamido)-4-methoxybenzo...)
Show SMILES COc1ccc(N(CC(C)C)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
Show InChI InChI=1S/C21H22FN3O3S/c1-12(2)11-25(13(3)26)16-9-10-17(28-4)18-19(16)29-21(23-18)24-20(27)14-5-7-15(22)8-6-14/h5-10,12H,11H2,1-4H3,(H,23,24,27)
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3n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in CHO-K1 cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 4140-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.056
BindingDB Entry DOI: 10.7270/Q21Z45DJ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50321548
PNG
(CHEMBL1170135 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)C(=O)N3CCCCC3)sc12
Show InChI InChI=1S/C25H28N4O4S/c1-4-29(16(2)30)19-12-13-20(33-3)21-22(19)34-25(26-21)27-23(31)17-8-10-18(11-9-17)24(32)28-14-6-5-7-15-28/h8-13H,4-7,14-15H2,1-3H3,(H,26,27,31)
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4n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2B receptor expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 4140-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.056
BindingDB Entry DOI: 10.7270/Q21Z45DJ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50321545
PNG
(CHEMBL1172275 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)-n3ccnc3)sc12
Show InChI InChI=1S/C22H21N5O3S/c1-4-27(14(2)28)17-9-10-18(30-3)19-20(17)31-22(24-19)25-21(29)15-5-7-16(8-6-15)26-12-11-23-13-26/h5-13H,4H2,1-3H3,(H,24,25,29)
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8n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2B receptor expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 4140-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.056
BindingDB Entry DOI: 10.7270/Q21Z45DJ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50321540
PNG
(4-cyano-N-(7-(N-ethylacetamido)-4-methoxybenzo[d]t...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)C#N)sc12
Show InChI InChI=1S/C20H18N4O3S/c1-4-24(12(2)25)15-9-10-16(27-3)17-18(15)28-20(22-17)23-19(26)14-7-5-13(11-21)6-8-14/h5-10H,4H2,1-3H3,(H,22,23,26)
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10n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2B receptor expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 4140-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.056
BindingDB Entry DOI: 10.7270/Q21Z45DJ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50321526
PNG
(CHEMBL1171897 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc12
Show InChI InChI=1S/C19H18FN3O3S/c1-4-23(11(2)24)14-9-10-15(26-3)16-17(14)27-19(21-16)22-18(25)12-5-7-13(20)8-6-12/h5-10H,4H2,1-3H3,(H,21,22,25)
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13n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2B receptor expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 4140-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.056
BindingDB Entry DOI: 10.7270/Q21Z45DJ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50321544
PNG
(CHEMBL1172276 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(CN4CCCC4=O)cc3)sc12
Show InChI InChI=1S/C24H26N4O4S/c1-4-28(15(2)29)18-11-12-19(32-3)21-22(18)33-24(25-21)26-23(31)17-9-7-16(8-10-17)14-27-13-5-6-20(27)30/h7-12H,4-6,13-14H2,1-3H3,(H,25,26,31)
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14n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2B receptor expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 4140-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.056
BindingDB Entry DOI: 10.7270/Q21Z45DJ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50321541
PNG
(CHEMBL1172274 | methyl 4-(7-(N-ethylacetamido)-4-m...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)C(=O)OC)sc12
Show InChI InChI=1S/C21H21N3O5S/c1-5-24(12(2)25)15-10-11-16(28-3)17-18(15)30-21(22-17)23-19(26)13-6-8-14(9-7-13)20(27)29-4/h6-11H,5H2,1-4H3,(H,22,23,26)
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15n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2B receptor expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 4140-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.056
BindingDB Entry DOI: 10.7270/Q21Z45DJ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50321547
PNG
(CHEMBL1170136 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)-n3cccn3)sc12
Show InChI InChI=1S/C22H21N5O3S/c1-4-26(14(2)28)17-10-11-18(30-3)19-20(17)31-22(24-19)25-21(29)15-6-8-16(9-7-15)27-13-5-12-23-27/h5-13H,4H2,1-3H3,(H,24,25,29)
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18n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2B receptor expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 4140-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.056
BindingDB Entry DOI: 10.7270/Q21Z45DJ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50321539
PNG
(CHEMBL1170129 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)S(C)(=O)=O)sc12
Show InChI InChI=1S/C20H21N3O5S2/c1-5-23(12(2)24)15-10-11-16(28-3)17-18(15)29-20(21-17)22-19(25)13-6-8-14(9-7-13)30(4,26)27/h6-11H,5H2,1-4H3,(H,21,22,25)
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19n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2B receptor expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 4140-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.056
BindingDB Entry DOI: 10.7270/Q21Z45DJ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50321542
PNG
(CHEMBL1170137 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(NS(C)(=O)=O)cc3)sc12
Show InChI InChI=1S/C20H22N4O5S2/c1-5-24(12(2)25)15-10-11-16(29-3)17-18(15)30-20(21-17)22-19(26)13-6-8-14(9-7-13)23-31(4,27)28/h6-11,23H,5H2,1-4H3,(H,21,22,26)
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22n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2B receptor expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 4140-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.056
BindingDB Entry DOI: 10.7270/Q21Z45DJ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50321525
PNG
(4-fluoro-N-(4-methoxy-7-(N-methylacetamido)benzo[d...)
Show SMILES COc1ccc(N(C)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
Show InChI InChI=1S/C18H16FN3O3S/c1-10(23)22(2)13-8-9-14(25-3)15-16(13)26-18(20-15)21-17(24)11-4-6-12(19)7-5-11/h4-9H,1-3H3,(H,20,21,24)
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22n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2B receptor expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 4140-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.056
BindingDB Entry DOI: 10.7270/Q21Z45DJ
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50321526
PNG
(CHEMBL1171897 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc12
Show InChI InChI=1S/C19H18FN3O3S/c1-4-23(11(2)24)14-9-10-15(26-3)16-17(14)27-19(21-16)22-18(25)12-5-7-13(20)8-6-12/h5-10H,4H2,1-3H3,(H,21,22,25)
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22n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in CHO-K1 cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 4140-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.056
BindingDB Entry DOI: 10.7270/Q21Z45DJ
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50321544
PNG
(CHEMBL1172276 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(CN4CCCC4=O)cc3)sc12
Show InChI InChI=1S/C24H26N4O4S/c1-4-28(15(2)29)18-11-12-19(32-3)21-22(18)33-24(25-21)26-23(31)17-9-7-16(8-10-17)14-27-13-5-6-20(27)30/h7-12H,4-6,13-14H2,1-3H3,(H,25,26,31)
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27n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in CHO-K1 cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 4140-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.056
BindingDB Entry DOI: 10.7270/Q21Z45DJ
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50321531
PNG
(4-fluoro-N-(7-(N-(3-hydroxypropyl)acetamido)-4-met...)
Show SMILES COc1ccc(N(CCCO)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
Show InChI InChI=1S/C20H20FN3O4S/c1-12(26)24(10-3-11-25)15-8-9-16(28-2)17-18(15)29-20(22-17)23-19(27)13-4-6-14(21)7-5-13/h4-9,25H,3,10-11H2,1-2H3,(H,22,23,27)
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29n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in CHO-K1 cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 4140-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.056
BindingDB Entry DOI: 10.7270/Q21Z45DJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50321527
PNG
(4-fluoro-N-(7-(N-isobutylacetamido)-4-methoxybenzo...)
Show SMILES COc1ccc(N(CC(C)C)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
Show InChI InChI=1S/C21H22FN3O3S/c1-12(2)11-25(13(3)26)16-9-10-17(28-4)18-19(16)29-21(23-18)24-20(27)14-5-7-15(22)8-6-14/h5-10,12H,11H2,1-4H3,(H,23,24,27)
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37n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO-K1 cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 4140-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.056
BindingDB Entry DOI: 10.7270/Q21Z45DJ
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50321525
PNG
(4-fluoro-N-(4-methoxy-7-(N-methylacetamido)benzo[d...)
Show SMILES COc1ccc(N(C)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
Show InChI InChI=1S/C18H16FN3O3S/c1-10(23)22(2)13-8-9-14(25-3)15-16(13)26-18(20-15)21-17(24)11-4-6-12(19)7-5-11/h4-9H,1-3H3,(H,20,21,24)
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39n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in CHO-K1 cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 4140-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.056
BindingDB Entry DOI: 10.7270/Q21Z45DJ
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50321542
PNG
(CHEMBL1170137 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(NS(C)(=O)=O)cc3)sc12
Show InChI InChI=1S/C20H22N4O5S2/c1-5-24(12(2)25)15-10-11-16(29-3)17-18(15)30-20(21-17)22-19(26)13-6-8-14(9-7-13)23-31(4,27)28/h6-11,23H,5H2,1-4H3,(H,21,22,26)
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46n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in CHO-K1 cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 4140-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.056
BindingDB Entry DOI: 10.7270/Q21Z45DJ
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50321540
PNG
(4-cyano-N-(7-(N-ethylacetamido)-4-methoxybenzo[d]t...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)C#N)sc12
Show InChI InChI=1S/C20H18N4O3S/c1-4-24(12(2)25)15-9-10-16(27-3)17-18(15)28-20(22-17)23-19(26)14-7-5-13(11-21)6-8-14/h5-10H,4H2,1-3H3,(H,22,23,26)
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50n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in CHO-K1 cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 4140-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.056
BindingDB Entry DOI: 10.7270/Q21Z45DJ
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50321547
PNG
(CHEMBL1170136 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)-n3cccn3)sc12
Show InChI InChI=1S/C22H21N5O3S/c1-4-26(14(2)28)17-10-11-18(30-3)19-20(17)31-22(24-19)25-21(29)15-6-8-16(9-7-15)27-13-5-12-23-27/h5-13H,4H2,1-3H3,(H,24,25,29)
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66n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in CHO-K1 cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 4140-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.056
BindingDB Entry DOI: 10.7270/Q21Z45DJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50321526
PNG
(CHEMBL1171897 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc12
Show InChI InChI=1S/C19H18FN3O3S/c1-4-23(11(2)24)14-9-10-15(26-3)16-17(14)27-19(21-16)22-18(25)12-5-7-13(20)8-6-12/h5-10H,4H2,1-3H3,(H,21,22,25)
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66n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO-K1 cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 4140-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.056
BindingDB Entry DOI: 10.7270/Q21Z45DJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50321525
PNG
(4-fluoro-N-(4-methoxy-7-(N-methylacetamido)benzo[d...)
Show SMILES COc1ccc(N(C)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
Show InChI InChI=1S/C18H16FN3O3S/c1-10(23)22(2)13-8-9-14(25-3)15-16(13)26-18(20-15)21-17(24)11-4-6-12(19)7-5-11/h4-9H,1-3H3,(H,20,21,24)
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66n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO-K1 cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 4140-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.056
BindingDB Entry DOI: 10.7270/Q21Z45DJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50321540
PNG
(4-cyano-N-(7-(N-ethylacetamido)-4-methoxybenzo[d]t...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)C#N)sc12
Show InChI InChI=1S/C20H18N4O3S/c1-4-24(12(2)25)15-9-10-16(27-3)17-18(15)28-20(22-17)23-19(26)14-7-5-13(11-21)6-8-14/h5-10H,4H2,1-3H3,(H,22,23,26)
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71n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO-K1 cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 4140-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.056
BindingDB Entry DOI: 10.7270/Q21Z45DJ
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50321545
PNG
(CHEMBL1172275 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)-n3ccnc3)sc12
Show InChI InChI=1S/C22H21N5O3S/c1-4-27(14(2)28)17-9-10-18(30-3)19-20(17)31-22(24-19)25-21(29)15-5-7-16(8-6-15)26-12-11-23-13-26/h5-13H,4H2,1-3H3,(H,24,25,29)
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77n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in CHO-K1 cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 4140-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.056
BindingDB Entry DOI: 10.7270/Q21Z45DJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50321547
PNG
(CHEMBL1170136 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)-n3cccn3)sc12
Show InChI InChI=1S/C22H21N5O3S/c1-4-26(14(2)28)17-10-11-18(30-3)19-20(17)31-22(24-19)25-21(29)15-6-8-16(9-7-15)27-13-5-12-23-27/h5-13H,4H2,1-3H3,(H,24,25,29)
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78n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO-K1 cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 4140-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.056
BindingDB Entry DOI: 10.7270/Q21Z45DJ
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50321539
PNG
(CHEMBL1170129 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)S(C)(=O)=O)sc12
Show InChI InChI=1S/C20H21N3O5S2/c1-5-23(12(2)24)15-10-11-16(28-3)17-18(15)29-20(21-17)22-19(25)13-6-8-14(9-7-13)30(4,26)27/h6-11H,5H2,1-4H3,(H,21,22,25)
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92n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in CHO-K1 cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 4140-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.056
BindingDB Entry DOI: 10.7270/Q21Z45DJ
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50321530
PNG
(4-fluoro-N-(7-(N-(2-hydroxyethyl)acetamido)-4-meth...)
Show SMILES COc1ccc(N(CCO)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
Show InChI InChI=1S/C19H18FN3O4S/c1-11(25)23(9-10-24)14-7-8-15(27-2)16-17(14)28-19(21-16)22-18(26)12-3-5-13(20)6-4-12/h3-8,24H,9-10H2,1-2H3,(H,21,22,26)
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98n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in CHO-K1 cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 4140-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.056
BindingDB Entry DOI: 10.7270/Q21Z45DJ
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50321548
PNG
(CHEMBL1170135 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)C(=O)N3CCCCC3)sc12
Show InChI InChI=1S/C25H28N4O4S/c1-4-29(16(2)30)19-12-13-20(33-3)21-22(19)34-25(26-21)27-23(31)17-8-10-18(11-9-17)24(32)28-14-6-5-7-15-28/h8-13H,4-7,14-15H2,1-3H3,(H,26,27,31)
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100n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in CHO-K1 cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 4140-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.056
BindingDB Entry DOI: 10.7270/Q21Z45DJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50321531
PNG
(4-fluoro-N-(7-(N-(3-hydroxypropyl)acetamido)-4-met...)
Show SMILES COc1ccc(N(CCCO)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
Show InChI InChI=1S/C20H20FN3O4S/c1-12(26)24(10-3-11-25)15-8-9-16(28-2)17-18(15)29-20(22-17)23-19(27)13-4-6-14(21)7-5-13/h4-9,25H,3,10-11H2,1-2H3,(H,22,23,27)
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100n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO-K1 cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 4140-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.056
BindingDB Entry DOI: 10.7270/Q21Z45DJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50321542
PNG
(CHEMBL1170137 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(NS(C)(=O)=O)cc3)sc12
Show InChI InChI=1S/C20H22N4O5S2/c1-5-24(12(2)25)15-10-11-16(29-3)17-18(15)30-20(21-17)22-19(26)13-6-8-14(9-7-13)23-31(4,27)28/h6-11,23H,5H2,1-4H3,(H,21,22,26)
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110n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO-K1 cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 4140-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.056
BindingDB Entry DOI: 10.7270/Q21Z45DJ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50321524
PNG
(CHEMBL1170518 | N-(7-acetamido-4-methoxybenzo[d]th...)
Show SMILES COc1ccc(NC(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
Show InChI InChI=1S/C17H14FN3O3S/c1-9(22)19-12-7-8-13(24-2)14-15(12)25-17(20-14)21-16(23)10-3-5-11(18)6-4-10/h3-8H,1-2H3,(H,19,22)(H,20,21,23)
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130n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2B receptor expressed in CHO cells after 1 hr


Bioorg Med Chem Lett 21: 1933-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.053
BindingDB Entry DOI: 10.7270/Q2959HWD
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50321524
PNG
(CHEMBL1170518 | N-(7-acetamido-4-methoxybenzo[d]th...)
Show SMILES COc1ccc(NC(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
Show InChI InChI=1S/C17H14FN3O3S/c1-9(22)19-12-7-8-13(24-2)14-15(12)25-17(20-14)21-16(23)10-3-5-11(18)6-4-10/h3-8H,1-2H3,(H,19,22)(H,20,21,23)
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130n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2B receptor expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 4140-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.056
BindingDB Entry DOI: 10.7270/Q21Z45DJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50321545
PNG
(CHEMBL1172275 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)-n3ccnc3)sc12
Show InChI InChI=1S/C22H21N5O3S/c1-4-27(14(2)28)17-9-10-18(30-3)19-20(17)31-22(24-19)25-21(29)15-5-7-16(8-6-15)26-12-11-23-13-26/h5-13H,4H2,1-3H3,(H,24,25,29)
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150n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO-K1 cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 4140-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.056
BindingDB Entry DOI: 10.7270/Q21Z45DJ
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50321541
PNG
(CHEMBL1172274 | methyl 4-(7-(N-ethylacetamido)-4-m...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)C(=O)OC)sc12
Show InChI InChI=1S/C21H21N3O5S/c1-5-24(12(2)25)15-10-11-16(28-3)17-18(15)30-21(22-17)23-19(26)13-6-8-14(9-7-13)20(27)29-4/h6-11H,5H2,1-4H3,(H,22,23,26)
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170n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in CHO-K1 cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 4140-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.056
BindingDB Entry DOI: 10.7270/Q21Z45DJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50321541
PNG
(CHEMBL1172274 | methyl 4-(7-(N-ethylacetamido)-4-m...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)C(=O)OC)sc12
Show InChI InChI=1S/C21H21N3O5S/c1-5-24(12(2)25)15-10-11-16(28-3)17-18(15)30-21(22-17)23-19(26)13-6-8-14(9-7-13)20(27)29-4/h6-11H,5H2,1-4H3,(H,22,23,26)
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185n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO-K1 cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 4140-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.056
BindingDB Entry DOI: 10.7270/Q21Z45DJ
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50321524
PNG
(CHEMBL1170518 | N-(7-acetamido-4-methoxybenzo[d]th...)
Show SMILES COc1ccc(NC(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
Show InChI InChI=1S/C17H14FN3O3S/c1-9(22)19-12-7-8-13(24-2)14-15(12)25-17(20-14)21-16(23)10-3-5-11(18)6-4-10/h3-8H,1-2H3,(H,19,22)(H,20,21,23)
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250n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in CHO-K1 cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 4140-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.056
BindingDB Entry DOI: 10.7270/Q21Z45DJ
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50321524
PNG
(CHEMBL1170518 | N-(7-acetamido-4-methoxybenzo[d]th...)
Show SMILES COc1ccc(NC(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
Show InChI InChI=1S/C17H14FN3O3S/c1-9(22)19-12-7-8-13(24-2)14-15(12)25-17(20-14)21-16(23)10-3-5-11(18)6-4-10/h3-8H,1-2H3,(H,19,22)(H,20,21,23)
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250n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor after 1 hr


Bioorg Med Chem Lett 21: 1933-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.053
BindingDB Entry DOI: 10.7270/Q2959HWD
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50321548
PNG
(CHEMBL1170135 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)C(=O)N3CCCCC3)sc12
Show InChI InChI=1S/C25H28N4O4S/c1-4-29(16(2)30)19-12-13-20(33-3)21-22(19)34-25(26-21)27-23(31)17-8-10-18(11-9-17)24(32)28-14-6-5-7-15-28/h8-13H,4-7,14-15H2,1-3H3,(H,26,27,31)
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300n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO-K1 cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 4140-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.056
BindingDB Entry DOI: 10.7270/Q21Z45DJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50321539
PNG
(CHEMBL1170129 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)S(C)(=O)=O)sc12
Show InChI InChI=1S/C20H21N3O5S2/c1-5-23(12(2)24)15-10-11-16(28-3)17-18(15)29-20(21-17)22-19(25)13-6-8-14(9-7-13)30(4,26)27/h6-11H,5H2,1-4H3,(H,21,22,25)
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390n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO-K1 cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 4140-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.056
BindingDB Entry DOI: 10.7270/Q21Z45DJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50321544
PNG
(CHEMBL1172276 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(CN4CCCC4=O)cc3)sc12
Show InChI InChI=1S/C24H26N4O4S/c1-4-28(15(2)29)18-11-12-19(32-3)21-22(18)33-24(25-21)26-23(31)17-9-7-16(8-10-17)14-27-13-5-6-20(27)30/h7-12H,4-6,13-14H2,1-3H3,(H,25,26,31)
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400n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO-K1 cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 4140-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.056
BindingDB Entry DOI: 10.7270/Q21Z45DJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50321530
PNG
(4-fluoro-N-(7-(N-(2-hydroxyethyl)acetamido)-4-meth...)
Show SMILES COc1ccc(N(CCO)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
Show InChI InChI=1S/C19H18FN3O4S/c1-11(25)23(9-10-24)14-7-8-15(27-2)16-17(14)28-19(21-16)22-18(26)12-3-5-13(20)6-4-12/h3-8,24H,9-10H2,1-2H3,(H,21,22,26)
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450n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO-K1 cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 4140-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.056
BindingDB Entry DOI: 10.7270/Q21Z45DJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50321524
PNG
(CHEMBL1170518 | N-(7-acetamido-4-methoxybenzo[d]th...)
Show SMILES COc1ccc(NC(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
Show InChI InChI=1S/C17H14FN3O3S/c1-9(22)19-12-7-8-13(24-2)14-15(12)25-17(20-14)21-16(23)10-3-5-11(18)6-4-10/h3-8H,1-2H3,(H,19,22)(H,20,21,23)
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1.60E+3n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO-K1 cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 4140-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.056
BindingDB Entry DOI: 10.7270/Q21Z45DJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50321524
PNG
(CHEMBL1170518 | N-(7-acetamido-4-methoxybenzo[d]th...)
Show SMILES COc1ccc(NC(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
Show InChI InChI=1S/C17H14FN3O3S/c1-9(22)19-12-7-8-13(24-2)14-15(12)25-17(20-14)21-16(23)10-3-5-11(18)6-4-10/h3-8H,1-2H3,(H,19,22)(H,20,21,23)
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1.60E+3n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor after 1 hr


Bioorg Med Chem Lett 21: 1933-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.053
BindingDB Entry DOI: 10.7270/Q2959HWD
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50321542
PNG
(CHEMBL1170137 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(NS(C)(=O)=O)cc3)sc12
Show InChI InChI=1S/C20H22N4O5S2/c1-5-24(12(2)25)15-10-11-16(29-3)17-18(15)30-20(21-17)22-19(26)13-6-8-14(9-7-13)23-31(4,27)28/h6-11,23H,5H2,1-4H3,(H,21,22,26)
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n/an/a 37n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of adenosine-induced cAMP production


Bioorg Med Chem Lett 20: 4140-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.056
BindingDB Entry DOI: 10.7270/Q21Z45DJ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50321541
PNG
(CHEMBL1172274 | methyl 4-(7-(N-ethylacetamido)-4-m...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)C(=O)OC)sc12
Show InChI InChI=1S/C21H21N3O5S/c1-5-24(12(2)25)15-10-11-16(28-3)17-18(15)30-21(22-17)23-19(26)13-6-8-14(9-7-13)20(27)29-4/h6-11H,5H2,1-4H3,(H,22,23,26)
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n/an/a 35n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of adenosine-induced cAMP production


Bioorg Med Chem Lett 20: 4140-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.056
BindingDB Entry DOI: 10.7270/Q21Z45DJ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50321540
PNG
(4-cyano-N-(7-(N-ethylacetamido)-4-methoxybenzo[d]t...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)C#N)sc12
Show InChI InChI=1S/C20H18N4O3S/c1-4-24(12(2)25)15-9-10-16(27-3)17-18(15)28-20(22-17)23-19(26)14-7-5-13(11-21)6-8-14/h5-10H,4H2,1-3H3,(H,22,23,26)
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n/an/a 28n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of adenosine-induced cAMP production


Bioorg Med Chem Lett 20: 4140-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.056
BindingDB Entry DOI: 10.7270/Q21Z45DJ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50321539
PNG
(CHEMBL1170129 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)S(C)(=O)=O)sc12
Show InChI InChI=1S/C20H21N3O5S2/c1-5-23(12(2)24)15-10-11-16(28-3)17-18(15)29-20(21-17)22-19(25)13-6-8-14(9-7-13)30(4,26)27/h6-11H,5H2,1-4H3,(H,21,22,25)
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n/an/a 36n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of adenosine-induced cAMP production


Bioorg Med Chem Lett 20: 4140-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.056
BindingDB Entry DOI: 10.7270/Q21Z45DJ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50321524
PNG
(CHEMBL1170518 | N-(7-acetamido-4-methoxybenzo[d]th...)
Show SMILES COc1ccc(NC(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
Show InChI InChI=1S/C17H14FN3O3S/c1-9(22)19-12-7-8-13(24-2)14-15(12)25-17(20-14)21-16(23)10-3-5-11(18)6-4-10/h3-8H,1-2H3,(H,19,22)(H,20,21,23)
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n/an/a 350n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of adenosine-induced cAMP production


Bioorg Med Chem Lett 20: 4140-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.056
BindingDB Entry DOI: 10.7270/Q21Z45DJ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50321520
PNG
(CHEMBL1171162 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cn[nH]c3)sc12
Show InChI InChI=1S/C16H17N5O3S/c1-4-21(9(2)22)11-5-6-12(24-3)13-14(11)25-16(19-13)20-15(23)10-7-17-18-8-10/h5-8H,4H2,1-3H3,(H,17,18)(H,19,20,23)
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n/an/a 21n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of adenosine-induced cAMP production


Bioorg Med Chem Lett 20: 4140-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.056
BindingDB Entry DOI: 10.7270/Q21Z45DJ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50321525
PNG
(4-fluoro-N-(4-methoxy-7-(N-methylacetamido)benzo[d...)
Show SMILES COc1ccc(N(C)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
Show InChI InChI=1S/C18H16FN3O3S/c1-10(23)22(2)13-8-9-14(25-3)15-16(13)26-18(20-15)21-17(24)11-4-6-12(19)7-5-11/h4-9H,1-3H3,(H,20,21,24)
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n/an/a 15n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of adenosine-induced cAMP production


Bioorg Med Chem Lett 20: 4140-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.056
BindingDB Entry DOI: 10.7270/Q21Z45DJ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50321526
PNG
(CHEMBL1171897 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc12
Show InChI InChI=1S/C19H18FN3O3S/c1-4-23(11(2)24)14-9-10-15(26-3)16-17(14)27-19(21-16)22-18(25)12-5-7-13(20)8-6-12/h5-10H,4H2,1-3H3,(H,21,22,25)
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n/an/a 12n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of adenosine-induced cAMP production


Bioorg Med Chem Lett 20: 4140-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.056
BindingDB Entry DOI: 10.7270/Q21Z45DJ
More data for this
Ligand-Target Pair
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