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PubMed code 20541935

Compile data set for download or QSAR
Found 131 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 A2a


(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 A2a


(Homo sapiens (Human))		BDBM50321523
PNG
(CHEMBL1171165 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cnn(Cc4cccc(F)c4)c3)sc12
Show InChI InChI=1S/C23H22FN5O3S/c1-4-29(14(2)30)18-8-9-19(32-3)20-21(18)33-23(26-20)27-22(31)16-11-25-28(13-16)12-15-6-5-7-17(24)10-15/h5-11,13H,4,12H2,1-3H3,(H,26,27,31)
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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 A2a


(Homo sapiens (Human))		BDBM50321522
PNG
(CHEMBL1171164 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cnn(Cc4cccc(c4)C(F)(F)F)c3)sc12
Show InChI InChI=1S/C24H22F3N5O3S/c1-4-32(14(2)33)18-8-9-19(35-3)20-21(18)36-23(29-20)30-22(34)16-11-28-31(13-16)12-15-6-5-7-17(10-15)24(25,26)27/h5-11,13H,4,12H2,1-3H3,(H,29,30,34)
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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))		BDBM50321543
PNG
(CHEMBL1172277 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(CN(C)S(C)(=O)=O)cc3)sc12
Show InChI InChI=1S/C22H26N4O5S2/c1-6-26(14(2)27)17-11-12-18(31-4)19-20(17)32-22(23-19)24-21(28)16-9-7-15(8-10-16)13-25(3)33(5,29)30/h7-12H,6,13H2,1-5H3,(H,23,24,28)
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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))		BDBM50321522
PNG
(CHEMBL1171164 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cnn(Cc4cccc(c4)C(F)(F)F)c3)sc12
Show InChI InChI=1S/C24H22F3N5O3S/c1-4-32(14(2)33)18-8-9-19(35-3)20-21(18)36-23(29-20)30-22(34)16-11-28-31(13-16)12-15-6-5-7-17(10-15)24(25,26)27/h5-11,13H,4,12H2,1-3H3,(H,29,30,34)
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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))		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 A2a


(Homo sapiens (Human))		BDBM50321533
PNG
(CHEMBL1171525 | methyl 2-(N-(2-(4-fluorobenzamido)...)
Show SMILES COC(=O)CN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc12
Show InChI InChI=1S/C20H18FN3O5S/c1-11(25)24(10-16(26)29-3)14-8-9-15(28-2)17-18(14)30-20(22-17)23-19(27)12-4-6-13(21)7-5-12/h4-9H,10H2,1-3H3,(H,22,23,27)
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 5n/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))		BDBM50321523
PNG
(CHEMBL1171165 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cnn(Cc4cccc(F)c4)c3)sc12
Show InChI InChI=1S/C23H22FN5O3S/c1-4-29(14(2)30)18-8-9-19(32-3)20-21(18)33-23(26-20)27-22(31)16-11-25-28(13-16)12-15-6-5-7-17(24)10-15/h5-11,13H,4,12H2,1-3H3,(H,26,27,31)
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 6n/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))		BDBM50321522
PNG
(CHEMBL1171164 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cnn(Cc4cccc(c4)C(F)(F)F)c3)sc12
Show InChI InChI=1S/C24H22F3N5O3S/c1-4-32(14(2)33)18-8-9-19(35-3)20-21(18)36-23(29-20)30-22(34)16-11-28-31(13-16)12-15-6-5-7-17(10-15)24(25,26)27/h5-11,13H,4,12H2,1-3H3,(H,29,30,34)
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 6n/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))		BDBM50321549
PNG
(CHEMBL1170134 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)C(=O)N3CCOCC3)sc12
Show InChI InChI=1S/C24H26N4O5S/c1-4-28(15(2)29)18-9-10-19(32-3)20-21(18)34-24(25-20)26-22(30)16-5-7-17(8-6-16)23(31)27-11-13-33-14-12-27/h5-10H,4,11-14H2,1-3H3,(H,25,26,30)
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 7n/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))		BDBM50321518
PNG
(CHEMBL1170367 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccnn3C)sc12
Show InChI InChI=1S/C17H19N5O3S/c1-5-22(10(2)23)11-6-7-13(25-4)14-15(11)26-17(19-14)20-16(24)12-8-9-18-21(12)3/h6-9H,5H2,1-4H3,(H,19,20,24)
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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))		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 A1


(Homo sapiens (Human))		BDBM50321523
PNG
(CHEMBL1171165 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cnn(Cc4cccc(F)c4)c3)sc12
Show InChI InChI=1S/C23H22FN5O3S/c1-4-29(14(2)30)18-8-9-19(32-3)20-21(18)33-23(26-20)27-22(31)16-11-25-28(13-16)12-15-6-5-7-17(24)10-15/h5-11,13H,4,12H2,1-3H3,(H,26,27,31)
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 9n/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))		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))		BDBM50321550
PNG
(CHEMBL1172442 | N1-(7-(N-ethylacetamido)-4-methoxy...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)C(=O)N(C)CCOC)sc12
Show InChI InChI=1S/C24H28N4O5S/c1-6-28(15(2)29)18-11-12-19(33-5)20-21(18)34-24(25-20)26-22(30)16-7-9-17(10-8-16)23(31)27(3)13-14-32-4/h7-12H,6,13-14H2,1-5H3,(H,25,26,30)
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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 A2a


(Homo sapiens (Human))		BDBM50321538
PNG
(CHEMBL1170130 | N-(4-chloro-7-(N-ethylacetamido)be...)
Show SMILES CCN(C(C)=O)c1ccc(Cl)c2nc(NC(=O)c3ccc(F)cc3)sc12
Show InChI InChI=1S/C18H15ClFN3O2S/c1-3-23(10(2)24)14-9-8-13(19)15-16(14)26-18(21-15)22-17(25)11-4-6-12(20)7-5-11/h4-9H,3H2,1-2H3,(H,21,22,25)
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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 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))		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 A2a


(Homo sapiens (Human))		BDBM50321519
PNG
(CHEMBL1170519 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cc[nH]c3)sc12
Show InChI InChI=1S/C17H18N4O3S/c1-4-21(10(2)22)12-5-6-13(24-3)14-15(12)25-17(19-14)20-16(23)11-7-8-18-9-11/h5-9,18H,4H2,1-3H3,(H,19,20,23)
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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 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))		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))		BDBM50321551
PNG
(CHEMBL1170583 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)C(=O)N3CCN(C)CC3)sc12
Show InChI InChI=1S/C25H29N5O4S/c1-5-30(16(2)31)19-10-11-20(34-4)21-22(19)35-25(26-21)27-23(32)17-6-8-18(9-7-17)24(33)29-14-12-28(3)13-15-29/h6-11H,5,12-15H2,1-4H3,(H,26,27,32)
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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))		BDBM50321521
PNG
(CHEMBL1171163 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cnn(C)c3)sc12
Show InChI InChI=1S/C17H19N5O3S/c1-5-22(10(2)23)12-6-7-13(25-4)14-15(12)26-17(19-14)20-16(24)11-8-18-21(3)9-11/h6-9H,5H2,1-4H3,(H,19,20,24)
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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))		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 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 A2a


(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 A1


(Homo sapiens (Human))		BDBM50321533
PNG
(CHEMBL1171525 | methyl 2-(N-(2-(4-fluorobenzamido)...)
Show SMILES COC(=O)CN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc12
Show InChI InChI=1S/C20H18FN3O5S/c1-11(25)24(10-16(26)29-3)14-8-9-15(28-2)17-18(14)30-20(22-17)23-19(27)12-4-6-13(21)7-5-12/h4-9H,10H2,1-3H3,(H,22,23,27)
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 23n/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))		BDBM50321546
PNG
(CHEMBL1171349 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)-n3cnnn3)sc12
Show InChI InChI=1S/C20H19N7O3S/c1-4-26(12(2)28)15-9-10-16(30-3)17-18(15)31-20(22-17)23-19(29)13-5-7-14(8-6-13)27-11-21-24-25-27/h5-11H,4H2,1-3H3,(H,22,23,29)
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 23n/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 A2a


(Homo sapiens (Human))		BDBM50321550
PNG
(CHEMBL1172442 | N1-(7-(N-ethylacetamido)-4-methoxy...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)C(=O)N(C)CCOC)sc12
Show InChI InChI=1S/C24H28N4O5S/c1-6-28(15(2)29)18-11-12-19(33-5)20-21(18)34-24(25-20)26-22(30)16-7-9-17(10-8-16)23(31)27(3)13-14-32-4/h7-12H,6,13-14H2,1-5H3,(H,25,26,30)
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 26n/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 A2a


(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 A2a


(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))		BDBM50321529
PNG
(CHEMBL1172268 | N-(7-(N-(difluoromethyl)acetamido)...)
Show SMILES COc1ccc(N(C(F)F)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
Show InChI InChI=1S/C18H14F3N3O3S/c1-9(25)24(17(20)21)12-7-8-13(27-2)14-15(12)28-18(22-14)23-16(26)10-3-5-11(19)6-4-10/h3-8,17H,1-2H3,(H,22,23,26)
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 30n/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))		BDBM50321538
PNG
(CHEMBL1170130 | N-(4-chloro-7-(N-ethylacetamido)be...)
Show SMILES CCN(C(C)=O)c1ccc(Cl)c2nc(NC(=O)c3ccc(F)cc3)sc12
Show InChI InChI=1S/C18H15ClFN3O2S/c1-3-23(10(2)24)14-9-8-13(19)15-16(14)26-18(21-15)22-17(25)11-4-6-12(20)7-5-11/h4-9H,3H2,1-2H3,(H,21,22,25)
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 30n/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))		BDBM50321519
PNG
(CHEMBL1170519 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cc[nH]c3)sc12
Show InChI InChI=1S/C17H18N4O3S/c1-4-21(10(2)22)12-5-6-13(24-3)14-15(12)25-17(19-14)20-16(23)11-7-8-18-9-11/h5-9,18H,4H2,1-3H3,(H,19,20,23)
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 35n/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 A2a


(Homo sapiens (Human))		BDBM50321528
PNG
(4-fluoro-N-(4-methoxy-7-(N-(2,2,2-trifluoroethyl)a...)
Show SMILES COc1ccc(N(CC(F)(F)F)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
Show InChI InChI=1S/C19H15F4N3O3S/c1-10(27)26(9-19(21,22)23)13-7-8-14(29-2)15-16(13)30-18(24-15)25-17(28)11-3-5-12(20)6-4-11/h3-8H,9H2,1-2H3,(H,24,25,28)
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 35n/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 A2a


(Homo sapiens (Human))		BDBM50321532
PNG
(4-fluoro-N-(4-methoxy-7-(N-(2-methoxyethyl)acetami...)
Show SMILES COCCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc12
Show InChI InChI=1S/C20H20FN3O4S/c1-12(25)24(10-11-27-2)15-8-9-16(28-3)17-18(15)29-20(22-17)23-19(26)13-4-6-14(21)7-5-13/h4-9H,10-11H2,1-3H3,(H,22,23,26)
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 38n/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 A2a


(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 A2a


(Homo sapiens (Human))		BDBM50321521
PNG
(CHEMBL1171163 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cnn(C)c3)sc12
Show InChI InChI=1S/C17H19N5O3S/c1-5-22(10(2)23)12-6-7-13(25-4)14-15(12)26-17(19-14)20-16(24)11-8-18-21(3)9-11/h6-9H,5H2,1-4H3,(H,19,20,24)
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 41n/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))		BDBM50321528
PNG
(4-fluoro-N-(4-methoxy-7-(N-(2,2,2-trifluoroethyl)a...)
Show SMILES COc1ccc(N(CC(F)(F)F)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
Show InChI InChI=1S/C19H15F4N3O3S/c1-10(27)26(9-19(21,22)23)13-7-8-14(29-2)15-16(13)30-18(24-15)25-17(28)11-3-5-12(20)6-4-11/h3-8H,9H2,1-2H3,(H,24,25,28)
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 42n/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 A2a


(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 A2a


(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 A1


(Homo sapiens (Human))		BDBM50321553
PNG
(CHEMBL1171200 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)C(=O)N3CCCC3)sc12
Show InChI InChI=1S/C24H26N4O4S/c1-4-28(15(2)29)18-11-12-19(32-3)20-21(18)33-24(25-20)26-22(30)16-7-9-17(10-8-16)23(31)27-13-5-6-14-27/h7-12H,4-6,13-14H2,1-3H3,(H,25,26,30)
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 50n/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 A2a


(Homo sapiens (Human))		BDBM50321518
PNG
(CHEMBL1170367 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccnn3C)sc12
Show InChI InChI=1S/C17H19N5O3S/c1-5-22(10(2)23)11-6-7-13(25-4)14-15(11)26-17(19-14)20-16(24)12-8-9-18-21(12)3/h6-9H,5H2,1-4H3,(H,19,20,24)
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 51n/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 A2a


(Homo sapiens (Human))		BDBM50321529
PNG
(CHEMBL1172268 | N-(7-(N-(difluoromethyl)acetamido)...)
Show SMILES COc1ccc(N(C(F)F)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
Show InChI InChI=1S/C18H14F3N3O3S/c1-9(25)24(17(20)21)12-7-8-13(27-2)14-15(12)28-18(22-14)23-16(26)10-3-5-11(19)6-4-10/h3-8,17H,1-2H3,(H,22,23,26)
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 61n/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))		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 A2a


(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 A2a


(Homo sapiens (Human))		BDBM50321553
PNG
(CHEMBL1171200 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)C(=O)N3CCCC3)sc12
Show InChI InChI=1S/C24H26N4O4S/c1-4-28(15(2)29)18-11-12-19(32-3)20-21(18)33-24(25-20)26-22(30)16-7-9-17(10-8-16)23(31)27-13-5-6-14-27/h7-12H,4-6,13-14H2,1-3H3,(H,25,26,30)
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 68n/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 A2a


(Homo sapiens (Human))		BDBM50321543
PNG
(CHEMBL1172277 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(CN(C)S(C)(=O)=O)cc3)sc12
Show InChI InChI=1S/C22H26N4O5S2/c1-6-26(14(2)27)17-11-12-18(31-4)19-20(17)32-22(23-19)24-21(28)16-9-7-15(8-10-16)13-25(3)33(5,29)30/h7-12H,6,13H2,1-5H3,(H,23,24,28)
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 71n/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))		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 A2a


(Homo sapiens (Human))		BDBM50321549
PNG
(CHEMBL1170134 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)C(=O)N3CCOCC3)sc12
Show InChI InChI=1S/C24H26N4O5S/c1-4-28(15(2)29)18-9-10-19(32-3)20-21(18)34-24(25-20)26-22(30)16-5-7-17(8-6-16)23(31)27-11-13-33-14-12-27/h5-10H,4,11-14H2,1-3H3,(H,25,26,30)
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 76n/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 A2a


(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 A3


(Homo sapiens (Human))		BDBM50321518
PNG
(CHEMBL1170367 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccnn3C)sc12
Show InChI InChI=1S/C17H19N5O3S/c1-5-22(10(2)23)11-6-7-13(25-4)14-15(11)26-17(19-14)20-16(24)12-8-9-18-21(12)3/h6-9H,5H2,1-4H3,(H,19,20,24)
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 80n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Binding affinity to adenosine A3 receptor

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 A2a


(Homo sapiens (Human))		BDBM50321546
PNG
(CHEMBL1171349 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)-n3cnnn3)sc12
Show InChI InChI=1S/C20H19N7O3S/c1-4-26(12(2)28)15-9-10-16(30-3)17-18(15)31-20(22-17)23-19(29)13-5-7-14(8-6-13)27-11-21-24-25-27/h5-11H,4H2,1-3H3,(H,22,23,29)
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 80n/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 A2a


(Homo sapiens (Human))		BDBM50321552
PNG
(CHEMBL1170582 | N1-(7-(N-ethylacetamido)-4-methoxy...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)C(=O)NC)sc12
Show InChI InChI=1S/C21H22N4O4S/c1-5-25(12(2)26)15-10-11-16(29-4)17-18(15)30-21(23-17)24-20(28)14-8-6-13(7-9-14)19(27)22-3/h6-11H,5H2,1-4H3,(H,22,27)(H,23,24,28)
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 84n/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 A2a


(Homo sapiens (Human))		BDBM50321551
PNG
(CHEMBL1170583 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)C(=O)N3CCN(C)CC3)sc12
Show InChI InChI=1S/C25H29N5O4S/c1-5-30(16(2)31)19-10-11-20(34-4)21-22(19)35-25(26-21)27-23(32)17-6-8-18(9-7-17)24(33)29-14-12-28(3)13-15-29/h6-11H,5,12-15H2,1-4H3,(H,26,27,32)
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 89n/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 A2a


(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 A2a


(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 A2a


(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))		BDBM50321518
PNG
(CHEMBL1170367 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccnn3C)sc12
Show InChI InChI=1S/C17H19N5O3S/c1-5-22(10(2)23)11-6-7-13(25-4)14-15(11)26-17(19-14)20-16(24)12-8-9-18-21(12)3/h6-9H,5H2,1-4H3,(H,19,20,24)
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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))		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 A1


(Homo sapiens (Human))		BDBM50321532
PNG
(4-fluoro-N-(4-methoxy-7-(N-(2-methoxyethyl)acetami...)
Show SMILES COCCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc12
Show InChI InChI=1S/C20H20FN3O4S/c1-12(25)24(10-11-27-2)15-8-9-16(28-3)17-18(15)29-20(22-17)23-19(26)13-4-6-14(21)7-5-13/h4-9H,10-11H2,1-3H3,(H,22,23,26)
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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 A1


(Homo sapiens (Human))		BDBM50321551
PNG
(CHEMBL1170583 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)C(=O)N3CCN(C)CC3)sc12
Show InChI InChI=1S/C25H29N5O4S/c1-5-30(16(2)31)19-10-11-20(34-4)21-22(19)35-25(26-21)27-23(32)17-6-8-18(9-7-17)24(33)29-14-12-28(3)13-15-29/h6-11H,5,12-15H2,1-4H3,(H,26,27,32)
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 120n/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 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))		BDBM50321546
PNG
(CHEMBL1171349 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)-n3cnnn3)sc12
Show InChI InChI=1S/C20H19N7O3S/c1-4-26(12(2)28)15-9-10-16(30-3)17-18(15)31-20(22-17)23-19(29)13-5-7-14(8-6-13)27-11-21-24-25-27/h5-11H,4H2,1-3H3,(H,22,23,29)
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 130n/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))		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 A2a


(Homo sapiens (Human))		BDBM50321535
PNG
(CHEMBL1170526 | N-(7-(N-(2-amino-2-oxoethyl)acetam...)
Show SMILES COc1ccc(N(CC(N)=O)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
Show InChI InChI=1S/C19H17FN4O4S/c1-10(25)24(9-15(21)26)13-7-8-14(28-2)16-17(13)29-19(22-16)23-18(27)11-3-5-12(20)6-4-11/h3-8H,9H2,1-2H3,(H2,21,26)(H,22,23,27)
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 160n/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))		BDBM50321549
PNG
(CHEMBL1170134 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)C(=O)N3CCOCC3)sc12
Show InChI InChI=1S/C24H26N4O5S/c1-4-28(15(2)29)18-9-10-19(32-3)20-21(18)34-24(25-20)26-22(30)16-5-7-17(8-6-16)23(31)27-11-13-33-14-12-27/h5-10H,4,11-14H2,1-3H3,(H,25,26,30)
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 160n/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 A2a


(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))		BDBM50321550
PNG
(CHEMBL1172442 | N1-(7-(N-ethylacetamido)-4-methoxy...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)C(=O)N(C)CCOC)sc12
Show InChI InChI=1S/C24H28N4O5S/c1-6-28(15(2)29)18-11-12-19(33-5)20-21(18)34-24(25-20)26-22(30)16-7-9-17(10-8-16)23(31)27(3)13-14-32-4/h7-12H,6,13-14H2,1-5H3,(H,25,26,30)
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 180n/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))		BDBM50321552
PNG
(CHEMBL1170582 | N1-(7-(N-ethylacetamido)-4-methoxy...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)C(=O)NC)sc12
Show InChI InChI=1S/C21H22N4O4S/c1-5-25(12(2)26)15-10-11-16(29-4)17-18(15)30-21(23-17)24-20(28)14-8-6-13(7-9-14)19(27)22-3/h6-11H,5H2,1-4H3,(H,22,27)(H,23,24,28)
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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 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 A2a


(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 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 A2a


(Homo sapiens (Human))		BDBM50321536
PNG
(4-fluoro-N-(4-methoxy-7-(N-(2-(methylamino)-2-oxoe...)
Show SMILES CNC(=O)CN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc12
Show InChI InChI=1S/C20H19FN4O4S/c1-11(26)25(10-16(27)22-2)14-8-9-15(29-3)17-18(14)30-20(23-17)24-19(28)12-4-6-13(21)7-5-12/h4-9H,10H2,1-3H3,(H,22,27)(H,23,24,28)
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 330n/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))		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))		BDBM50321543
PNG
(CHEMBL1172277 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(CN(C)S(C)(=O)=O)cc3)sc12
Show InChI InChI=1S/C22H26N4O5S2/c1-6-26(14(2)27)17-11-12-18(31-4)19-20(17)32-22(23-19)24-21(28)16-9-7-15(8-10-16)13-25(3)33(5,29)30/h7-12H,6,13H2,1-5H3,(H,23,24,28)
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 410n/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 A2a


(Homo sapiens (Human))		BDBM50321537
PNG
(CHEMBL1170131 | N-(7-(N-(2-(dimethylamino)-2-oxoet...)
Show SMILES COc1ccc(N(CC(=O)N(C)C)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
Show InChI InChI=1S/C21H21FN4O4S/c1-12(27)26(11-17(28)25(2)3)15-9-10-16(30-4)18-19(15)31-21(23-18)24-20(29)13-5-7-14(22)8-6-13/h5-10H,11H2,1-4H3,(H,23,24,29)
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 480n/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))		BDBM50321535
PNG
(CHEMBL1170526 | N-(7-(N-(2-amino-2-oxoethyl)acetam...)
Show SMILES COc1ccc(N(CC(N)=O)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
Show InChI InChI=1S/C19H17FN4O4S/c1-10(25)24(9-15(21)26)13-7-8-14(28-2)16-17(13)29-19(22-16)23-18(27)11-3-5-12(20)6-4-11/h3-8H,9H2,1-2H3,(H2,21,26)(H,22,23,27)
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 560n/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))		BDBM50321536
PNG
(4-fluoro-N-(4-methoxy-7-(N-(2-(methylamino)-2-oxoe...)
Show SMILES CNC(=O)CN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc12
Show InChI InChI=1S/C20H19FN4O4S/c1-11(26)25(10-16(27)22-2)14-8-9-15(29-3)17-18(14)30-20(23-17)24-19(28)12-4-6-13(21)7-5-12/h4-9H,10H2,1-3H3,(H,22,27)(H,23,24,28)
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 790n/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))		BDBM50321537
PNG
(CHEMBL1170131 | N-(7-(N-(2-(dimethylamino)-2-oxoet...)
Show SMILES COc1ccc(N(CC(=O)N(C)C)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
Show InChI InChI=1S/C21H21FN4O4S/c1-12(27)26(11-17(28)25(2)3)15-9-10-16(30-4)18-19(15)31-21(23-18)24-20(29)13-5-7-14(22)8-6-13/h5-10H,11H2,1-4H3,(H,23,24,29)
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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 A2a


(Homo sapiens (Human))		BDBM50321534
PNG
(2-(N-(2-(4-fluorobenzamido)-4-methoxybenzo[d]thiaz...)
Show SMILES COc1ccc(N(CC(O)=O)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
Show InChI InChI=1S/C19H16FN3O5S/c1-10(24)23(9-15(25)26)13-7-8-14(28-2)16-17(13)29-19(21-16)22-18(27)11-3-5-12(20)6-4-11/h3-8H,9H2,1-2H3,(H,25,26)(H,21,22,27)
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 2.20E+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 A1


(Homo sapiens (Human))		BDBM50321534
PNG
(2-(N-(2-(4-fluorobenzamido)-4-methoxybenzo[d]thiaz...)
Show SMILES COc1ccc(N(CC(O)=O)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
Show InChI InChI=1S/C19H16FN3O5S/c1-10(24)23(9-15(25)26)13-7-8-14(28-2)16-17(13)29-19(21-16)22-18(27)11-3-5-12(20)6-4-11/h3-8H,9H2,1-2H3,(H,25,26)(H,21,22,27)
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 2.60E+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 A2b


(Homo sapiens (Human))		BDBM50321522
PNG
(CHEMBL1171164 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cnn(Cc4cccc(c4)C(F)(F)F)c3)sc12
Show InChI InChI=1S/C24H22F3N5O3S/c1-4-32(14(2)33)18-8-9-19(35-3)20-21(18)36-23(29-20)30-22(34)16-11-28-31(13-16)12-15-6-5-7-17(10-15)24(25,26)27/h5-11,13H,4,12H2,1-3H3,(H,29,30,34)
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n/an/a 6n/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))		BDBM50321519
PNG
(CHEMBL1170519 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cc[nH]c3)sc12
Show InChI InChI=1S/C17H18N4O3S/c1-4-21(10(2)22)12-5-6-13(24-3)14-15(12)25-17(19-14)20-16(23)11-7-8-18-9-11/h5-9,18H,4H2,1-3H3,(H,19,20,23)
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n/an/a 7n/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))		BDBM50321533
PNG
(CHEMBL1171525 | methyl 2-(N-(2-(4-fluorobenzamido)...)
Show SMILES COC(=O)CN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc12
Show InChI InChI=1S/C20H18FN3O5S/c1-11(25)24(10-16(26)29-3)14-8-9-15(28-2)17-18(14)30-20(22-17)23-19(27)12-4-6-13(21)7-5-12/h4-9H,10H2,1-3H3,(H,22,23,27)
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n/an/a 8n/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))		BDBM50321523
PNG
(CHEMBL1171165 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cnn(Cc4cccc(F)c4)c3)sc12
Show InChI InChI=1S/C23H22FN5O3S/c1-4-29(14(2)30)18-8-9-19(32-3)20-21(18)33-23(26-20)27-22(31)16-11-25-28(13-16)12-15-6-5-7-17(24)10-15/h5-11,13H,4,12H2,1-3H3,(H,26,27,31)
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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
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
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50321550
PNG
(CHEMBL1172442 | N1-(7-(N-ethylacetamido)-4-methoxy...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)C(=O)N(C)CCOC)sc12
Show InChI InChI=1S/C24H28N4O5S/c1-6-28(15(2)29)18-11-12-19(33-5)20-21(18)34-24(25-20)26-22(30)16-7-9-17(10-8-16)23(31)27(3)13-14-32-4/h7-12H,6,13-14H2,1-5H3,(H,25,26,30)
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n/an/a 13n/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))		BDBM50321553
PNG
(CHEMBL1171200 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)C(=O)N3CCCC3)sc12
Show InChI InChI=1S/C24H26N4O4S/c1-4-28(15(2)29)18-11-12-19(32-3)20-21(18)33-24(25-20)26-22(30)16-7-9-17(10-8-16)23(31)27-13-5-6-14-27/h7-12H,4-6,13-14H2,1-3H3,(H,25,26,30)
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n/an/a 16n/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))		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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n/an/a 16n/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))		BDBM50321554
PNG
(4-fluoro-N-(7-(N-isopropylacetamido)-4-methoxybenz...)
Show SMILES COc1ccc(N(C(C)C)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
Show InChI InChI=1S/C20H20FN3O3S/c1-11(2)24(12(3)25)15-9-10-16(27-4)17-18(15)28-20(22-17)23-19(26)13-5-7-14(21)8-6-13/h5-11H,1-4H3,(H,22,23,26)
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n/an/a 19n/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))		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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n/an/a 19n/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))		BDBM50321543
PNG
(CHEMBL1172277 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(CN(C)S(C)(=O)=O)cc3)sc12
Show InChI InChI=1S/C22H26N4O5S2/c1-6-26(14(2)27)17-11-12-18(31-4)19-20(17)32-22(23-19)24-21(28)16-9-7-15(8-10-16)13-25(3)33(5,29)30/h7-12H,6,13H2,1-5H3,(H,23,24,28)
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n/an/a 19n/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))		BDBM50321549
PNG
(CHEMBL1170134 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)C(=O)N3CCOCC3)sc12
Show InChI InChI=1S/C24H26N4O5S/c1-4-28(15(2)29)18-9-10-19(32-3)20-21(18)34-24(25-20)26-22(30)16-5-7-17(8-6-16)23(31)27-11-13-33-14-12-27/h5-10H,4,11-14H2,1-3H3,(H,25,26,30)
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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))		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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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))		BDBM50321518
PNG
(CHEMBL1170367 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccnn3C)sc12
Show InChI InChI=1S/C17H19N5O3S/c1-5-22(10(2)23)11-6-7-13(25-4)14-15(11)26-17(19-14)20-16(24)12-8-9-18-21(12)3/h6-9H,5H2,1-4H3,(H,19,20,24)
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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))		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))		BDBM50321552
PNG
(CHEMBL1170582 | N1-(7-(N-ethylacetamido)-4-methoxy...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)C(=O)NC)sc12
Show InChI InChI=1S/C21H22N4O4S/c1-5-25(12(2)26)15-10-11-16(29-4)17-18(15)30-21(23-17)24-20(28)14-8-6-13(7-9-14)19(27)22-3/h6-11H,5H2,1-4H3,(H,22,27)(H,23,24,28)
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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))		BDBM50321538
PNG
(CHEMBL1170130 | N-(4-chloro-7-(N-ethylacetamido)be...)
Show SMILES CCN(C(C)=O)c1ccc(Cl)c2nc(NC(=O)c3ccc(F)cc3)sc12
Show InChI InChI=1S/C18H15ClFN3O2S/c1-3-23(10(2)24)14-9-8-13(19)15-16(14)26-18(21-15)22-17(25)11-4-6-12(20)7-5-11/h4-9H,3H2,1-2H3,(H,21,22,25)
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n/an/a 23n/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))		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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n/an/a 23n/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))		BDBM50321546
PNG
(CHEMBL1171349 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)-n3cnnn3)sc12
Show InChI InChI=1S/C20H19N7O3S/c1-4-26(12(2)28)15-9-10-16(30-3)17-18(15)31-20(22-17)23-19(29)13-5-7-14(8-6-13)27-11-21-24-25-27/h5-11H,4H2,1-3H3,(H,22,23,29)
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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))		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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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))		BDBM50321521
PNG
(CHEMBL1171163 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cnn(C)c3)sc12
Show InChI InChI=1S/C17H19N5O3S/c1-5-22(10(2)23)12-6-7-13(25-4)14-15(12)26-17(19-14)20-16(24)11-8-18-21(3)9-11/h6-9H,5H2,1-4H3,(H,19,20,24)
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n/an/a 29n/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))		BDBM50321532
PNG
(4-fluoro-N-(4-methoxy-7-(N-(2-methoxyethyl)acetami...)
Show SMILES COCCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc12
Show InChI InChI=1S/C20H20FN3O4S/c1-12(25)24(10-11-27-2)15-8-9-16(28-3)17-18(15)29-20(22-17)23-19(26)13-4-6-14(21)7-5-13/h4-9H,10-11H2,1-3H3,(H,22,23,26)
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n/an/a 33n/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))		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))		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))		BDBM50321551
PNG
(CHEMBL1170583 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)C(=O)N3CCN(C)CC3)sc12
Show InChI InChI=1S/C25H29N5O4S/c1-5-30(16(2)31)19-10-11-20(34-4)21-22(19)35-25(26-21)27-23(32)17-6-8-18(9-7-17)24(33)29-14-12-28(3)13-15-29/h6-11H,5,12-15H2,1-4H3,(H,26,27,32)
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n/an/a 38n/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))		BDBM50321528
PNG
(4-fluoro-N-(4-methoxy-7-(N-(2,2,2-trifluoroethyl)a...)
Show SMILES COc1ccc(N(CC(F)(F)F)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
Show InChI InChI=1S/C19H15F4N3O3S/c1-10(27)26(9-19(21,22)23)13-7-8-14(29-2)15-16(13)30-18(24-15)25-17(28)11-3-5-12(20)6-4-11/h3-8H,9H2,1-2H3,(H,24,25,28)
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n/an/a 40n/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))		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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n/an/a 42n/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))		BDBM50321535
PNG
(CHEMBL1170526 | N-(7-(N-(2-amino-2-oxoethyl)acetam...)
Show SMILES COc1ccc(N(CC(N)=O)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
Show InChI InChI=1S/C19H17FN4O4S/c1-10(25)24(9-15(21)26)13-7-8-14(28-2)16-17(13)29-19(22-16)23-18(27)11-3-5-12(20)6-4-11/h3-8H,9H2,1-2H3,(H2,21,26)(H,22,23,27)
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n/an/a 60n/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))		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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n/an/a 77n/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))		BDBM50321529
PNG
(CHEMBL1172268 | N-(7-(N-(difluoromethyl)acetamido)...)
Show SMILES COc1ccc(N(C(F)F)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
Show InChI InChI=1S/C18H14F3N3O3S/c1-9(25)24(17(20)21)12-7-8-13(27-2)14-15(12)28-18(22-14)23-16(26)10-3-5-11(19)6-4-10/h3-8,17H,1-2H3,(H,22,23,26)
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n/an/a 230n/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))		BDBM50321536
PNG
(4-fluoro-N-(4-methoxy-7-(N-(2-(methylamino)-2-oxoe...)
Show SMILES CNC(=O)CN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc12
Show InChI InChI=1S/C20H19FN4O4S/c1-11(26)25(10-16(27)22-2)14-8-9-15(29-3)17-18(14)30-20(23-17)24-19(28)12-4-6-13(21)7-5-12/h4-9H,10H2,1-3H3,(H,22,27)(H,23,24,28)
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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))		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))		BDBM50321537
PNG
(CHEMBL1170131 | N-(7-(N-(2-(dimethylamino)-2-oxoet...)
Show SMILES COc1ccc(N(CC(=O)N(C)C)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
Show InChI InChI=1S/C21H21FN4O4S/c1-12(27)26(11-17(28)25(2)3)15-9-10-16(30-4)18-19(15)31-21(23-18)24-20(29)13-5-7-14(22)8-6-13/h5-10H,11H2,1-4H3,(H,23,24,29)
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n/an/a 600n/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))		BDBM50321534
PNG
(2-(N-(2-(4-fluorobenzamido)-4-methoxybenzo[d]thiaz...)
Show SMILES COc1ccc(N(CC(O)=O)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
Show InChI InChI=1S/C19H16FN3O5S/c1-10(24)23(9-15(25)26)13-7-8-14(28-2)16-17(13)29-19(21-16)22-18(27)11-3-5-12(20)6-4-11/h3-8H,9H2,1-2H3,(H,25,26)(H,21,22,27)
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n/an/a 6.00E+3n/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 A1


(Homo sapiens (Human))		BDBM14487
PNG
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
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n/an/an/an/a 310n/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A1 receptor expressed in CHO cells assessed as increase of intracellular calcium level

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		3D
3D Structure (crystal)
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM14487
PNG
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
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n/an/an/an/a 2.40E+4n/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as increase of intracellular calcium level

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		3D
3D Structure (crystal)
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM14487
PNG
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
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n/an/an/an/a 700n/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A2A receptor expressed in CHO cells assessed as increase of intracellular calcium level

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		3D
3D Structure (crystal)
Adenosine receptor A3


(Homo sapiens (Human))		BDBM14487
PNG
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
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n/an/an/an/a 290n/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A3 receptor expressed in CHO cells assessed as increase of intracellular calcium level

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
* indicates data uncertainty>20%