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Compile Data Set for Download or QSAR

Found 76 hits Enz. Inhib. hit(s) with all data for entry = 50033193   
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 A1


(Homo sapiens (human))
BDBM50341186
PNG
(CHEMBL1760892 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)C3CCN(CC3)C(=O)c3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C26H27F3N4O4S/c1-4-33(15(2)34)19-8-9-20(37-3)21-22(19)38-25(30-21)31-23(35)16-10-12-32(13-11-16)24(36)17-6-5-7-18(14-17)26(27,28)29/h5-9,14,16H,4,10-13H2,1-3H3,(H,30,31,35)
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2n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


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


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

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 after 1 hr


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

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


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

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50341187
PNG
(CHEMBL1760900 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)N3CCC(CC3)c3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C25H27F3N4O3S/c1-4-32(15(2)33)19-8-9-20(35-3)21-22(19)36-23(29-21)30-24(34)31-12-10-16(11-13-31)17-6-5-7-18(14-17)25(26,27)28/h5-9,14,16H,4,10-13H2,1-3H3,(H,29,30,34)
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5n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50341188
PNG
(CHEMBL1760899 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)N3CCC(O)(CC3)c3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C25H27F3N4O4S/c1-4-32(15(2)33)18-8-9-19(36-3)20-21(18)37-22(29-20)30-23(34)31-12-10-24(35,11-13-31)16-6-5-7-17(14-16)25(26,27)28/h5-9,14,35H,4,10-13H2,1-3H3,(H,29,30,34)
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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 A2B receptor expressed in CHO cells after 1 hr


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

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 after 1 hr


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

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50341189
PNG
(CHEMBL1760896 | trans-N-(7-(N-ethylacetamido)-4-me...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CC[C@@H](CC3)NS(=O)(=O)c3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C26H29F3N4O5S2/c1-4-33(15(2)34)20-12-13-21(38-3)22-23(20)39-25(30-22)31-24(35)16-8-10-18(11-9-16)32-40(36,37)19-7-5-6-17(14-19)26(27,28)29/h5-7,12-14,16,18,32H,4,8-11H2,1-3H3,(H,30,31,35)/t16-,18-
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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 after 1 hr


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

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50341190
PNG
(CHEMBL1760895 | trans-N-(4-(7-(N-ethylacetamido)-4...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CC[C@@H](CC3)NC(=O)c3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C27H29F3N4O4S/c1-4-34(15(2)35)20-12-13-21(38-3)22-23(20)39-26(32-22)33-24(36)16-8-10-19(11-9-16)31-25(37)17-6-5-7-18(14-17)27(28,29)30/h5-7,12-14,16,19H,4,8-11H2,1-3H3,(H,31,37)(H,32,33,36)/t16-,19-
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7n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


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


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

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


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

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50341193
PNG
(CHEMBL1760894 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)C3CCN(Cc4cccc(c4)C(F)(F)F)CC3)sc12
Show InChI InChI=1S/C26H29F3N4O3S/c1-4-33(16(2)34)20-8-9-21(36-3)22-23(20)37-25(30-22)31-24(35)18-10-12-32(13-11-18)15-17-6-5-7-19(14-17)26(27,28)29/h5-9,14,18H,4,10-13,15H2,1-3H3,(H,30,31,35)
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10n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50341194
PNG
((R)-N-(7-(N-ethylacetamido)-4-methoxybenzo[d]thiaz...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CCN(C3)C(=O)c3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C25H25F3N4O4S/c1-4-32(14(2)33)18-8-9-19(36-3)20-21(18)37-24(29-20)30-22(34)16-10-11-31(13-16)23(35)15-6-5-7-17(12-15)25(26,27)28/h5-9,12,16H,4,10-11,13H2,1-3H3,(H,29,30,34)/t16-/m1/s1
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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


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

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50341196
PNG
(CHEMBL1760897 | trans-N-(7-(N-ethylacetamido)-4-me...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CC[C@@H](CC3)NCc3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C27H31F3N4O3S/c1-4-34(16(2)35)21-12-13-22(37-3)23-24(21)38-26(32-23)33-25(36)18-8-10-20(11-9-18)31-15-17-6-5-7-19(14-17)27(28,29)30/h5-7,12-14,18,20,31H,4,8-11,15H2,1-3H3,(H,32,33,36)/t18-,20-
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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


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

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50341188
PNG
(CHEMBL1760899 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)N3CCC(O)(CC3)c3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C25H27F3N4O4S/c1-4-32(15(2)33)18-8-9-19(36-3)20-21(18)37-22(29-20)30-23(34)31-12-10-24(35,11-13-31)16-6-5-7-17(14-16)25(26,27)28/h5-9,14,35H,4,10-13H2,1-3H3,(H,29,30,34)
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19n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50341199
PNG
(CHEMBL1760898 | cis-N-(4-(7-(N-ethylacetamido)-4-m...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CC[C@@H](CC3)NC(=O)c3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C27H29F3N4O4S/c1-4-34(15(2)35)20-12-13-21(38-3)22-23(20)39-26(32-22)33-24(36)16-8-10-19(11-9-16)31-25(37)17-6-5-7-18(14-17)27(28,29)30/h5-7,12-14,16,19H,4,8-11H2,1-3H3,(H,31,37)(H,32,33,36)/t16-,19+
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20n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50341192
PNG
(CHEMBL1760889 | trans-N-((1R,3R)-3-(7-(N-ethylacet...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CC[C@H](C3)NC(=O)c3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C26H27F3N4O4S/c1-4-33(14(2)34)19-10-11-20(37-3)21-22(19)38-25(31-21)32-24(36)16-8-9-18(13-16)30-23(35)15-6-5-7-17(12-15)26(27,28)29/h5-7,10-12,16,18H,4,8-9,13H2,1-3H3,(H,30,35)(H,31,32,36)/t16-,18-/m1/s1
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31n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50341192
PNG
(CHEMBL1760889 | trans-N-((1R,3R)-3-(7-(N-ethylacet...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CC[C@H](C3)NC(=O)c3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C26H27F3N4O4S/c1-4-33(14(2)34)19-10-11-20(37-3)21-22(19)38-25(31-21)32-24(36)16-8-9-18(13-16)30-23(35)15-6-5-7-17(12-15)26(27,28)29/h5-7,10-12,16,18H,4,8-9,13H2,1-3H3,(H,30,35)(H,31,32,36)/t16-,18-/m1/s1
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31n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50341195
PNG
(CHEMBL1760884 | cis-N-(7-(N-ethylacetamido)-4-meth...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CC[C@@H](CC3)NS(=O)(=O)c3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C26H29F3N4O5S2/c1-4-33(15(2)34)20-12-13-21(38-3)22-23(20)39-25(30-22)31-24(35)16-8-10-18(11-9-16)32-40(36,37)19-7-5-6-17(14-19)26(27,28)29/h5-7,12-14,16,18,32H,4,8-11H2,1-3H3,(H,30,31,35)/t16-,18+
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46n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


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


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

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 after 1 hr


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

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50341199
PNG
(CHEMBL1760898 | cis-N-(4-(7-(N-ethylacetamido)-4-m...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CC[C@@H](CC3)NC(=O)c3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C27H29F3N4O4S/c1-4-34(15(2)35)20-12-13-21(38-3)22-23(20)39-26(32-22)33-24(36)16-8-10-19(11-9-16)31-25(37)17-6-5-7-18(14-17)27(28,29)30/h5-7,12-14,16,19H,4,8-11H2,1-3H3,(H,31,37)(H,32,33,36)/t16-,19+
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52n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50341191
PNG
(CHEMBL1760888 | cis-N-((1S,3R)-3-(7-(N-ethylacetam...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CC[C@@H](C3)NC(=O)c3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C26H27F3N4O4S/c1-4-33(14(2)34)19-10-11-20(37-3)21-22(19)38-25(31-21)32-24(36)16-8-9-18(13-16)30-23(35)15-6-5-7-17(12-15)26(27,28)29/h5-7,10-12,16,18H,4,8-9,13H2,1-3H3,(H,30,35)(H,31,32,36)/t16-,18+/m1/s1
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61n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50341196
PNG
(CHEMBL1760897 | trans-N-(7-(N-ethylacetamido)-4-me...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CC[C@@H](CC3)NCc3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C27H31F3N4O3S/c1-4-34(16(2)35)21-12-13-22(37-3)23-24(21)38-26(32-23)33-25(36)18-8-10-20(11-9-18)31-15-17-6-5-7-19(14-17)27(28,29)30/h5-7,12-14,18,20,31H,4,8-11,15H2,1-3H3,(H,32,33,36)/t18-,20-
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67n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50341202
PNG
(CHEMBL1760893 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)C3CCN(CC3)S(=O)(=O)c3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C25H27F3N4O5S2/c1-4-32(15(2)33)19-8-9-20(37-3)21-22(19)38-24(29-21)30-23(34)16-10-12-31(13-11-16)39(35,36)18-7-5-6-17(14-18)25(26,27)28/h5-9,14,16H,4,10-13H2,1-3H3,(H,29,30,34)
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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 after 1 hr


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

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50341191
PNG
(CHEMBL1760888 | cis-N-((1S,3R)-3-(7-(N-ethylacetam...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CC[C@@H](C3)NC(=O)c3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C26H27F3N4O4S/c1-4-33(14(2)34)19-10-11-20(37-3)21-22(19)38-25(31-21)32-24(36)16-8-9-18(13-16)30-23(35)15-6-5-7-17(12-15)26(27,28)29/h5-7,10-12,16,18H,4,8-9,13H2,1-3H3,(H,30,35)(H,31,32,36)/t16-,18+/m1/s1
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81n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


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


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

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 after 1 hr


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

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50341194
PNG
((R)-N-(7-(N-ethylacetamido)-4-methoxybenzo[d]thiaz...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CCN(C3)C(=O)c3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C25H25F3N4O4S/c1-4-32(14(2)33)18-8-9-19(36-3)20-21(18)37-24(29-20)30-22(34)16-10-11-31(13-16)23(35)15-6-5-7-17(12-15)25(26,27)28/h5-9,12,16H,4,10-11,13H2,1-3H3,(H,29,30,34)/t16-/m1/s1
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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 after 1 hr


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

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50341195
PNG
(CHEMBL1760884 | cis-N-(7-(N-ethylacetamido)-4-meth...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CC[C@@H](CC3)NS(=O)(=O)c3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C26H29F3N4O5S2/c1-4-33(15(2)34)20-12-13-21(38-3)22-23(20)39-25(30-22)31-24(35)16-8-10-18(11-9-16)32-40(36,37)19-7-5-6-17(14-19)26(27,28)29/h5-7,12-14,16,18,32H,4,8-11H2,1-3H3,(H,30,31,35)/t16-,18+
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110n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50341200
PNG
((S)-N-(7-(N-ethylacetamido)-4-methoxybenzo[d]thiaz...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CCN(C3)C(=O)c3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C25H25F3N4O4S/c1-4-32(14(2)33)18-8-9-19(36-3)20-21(18)37-24(29-20)30-22(34)16-10-11-31(13-16)23(35)15-6-5-7-17(12-15)25(26,27)28/h5-9,12,16H,4,10-11,13H2,1-3H3,(H,29,30,34)/t16-/m0/s1
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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 after 1 hr


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

More data for this
Ligand-Target Pair
Adenosine receptor A2b


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



Roche Research Center

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50341197
PNG
(CHEMBL1760891 | cis-N-(7-(N-ethylacetamido)-4-meth...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CC[C@@H](C3)NCc3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C26H29F3N4O3S/c1-4-33(15(2)34)20-10-11-21(36-3)22-23(20)37-25(31-22)32-24(35)17-8-9-19(13-17)30-14-16-6-5-7-18(12-16)26(27,28)29/h5-7,10-12,17,19,30H,4,8-9,13-14H2,1-3H3,(H,31,32,35)/t17-,19+/m1/s1
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180n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50341189
PNG
(CHEMBL1760896 | trans-N-(7-(N-ethylacetamido)-4-me...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CC[C@@H](CC3)NS(=O)(=O)c3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C26H29F3N4O5S2/c1-4-33(15(2)34)20-12-13-21(38-3)22-23(20)39-25(30-22)31-24(35)16-8-10-18(11-9-16)32-40(36,37)19-7-5-6-17(14-19)26(27,28)29/h5-7,12-14,16,18,32H,4,8-11H2,1-3H3,(H,30,31,35)/t16-,18-
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200n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50341188
PNG
(CHEMBL1760899 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)N3CCC(O)(CC3)c3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C25H27F3N4O4S/c1-4-32(15(2)33)18-8-9-19(36-3)20-21(18)37-22(29-20)30-23(34)31-12-10-24(35,11-13-31)16-6-5-7-17(14-16)25(26,27)28/h5-9,14,35H,4,10-13H2,1-3H3,(H,29,30,34)
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210n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50341197
PNG
(CHEMBL1760891 | cis-N-(7-(N-ethylacetamido)-4-meth...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CC[C@@H](C3)NCc3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C26H29F3N4O3S/c1-4-33(15(2)34)20-10-11-21(36-3)22-23(20)37-25(31-22)32-24(35)17-8-9-19(13-17)30-14-16-6-5-7-18(12-16)26(27,28)29/h5-7,10-12,17,19,30H,4,8-9,13-14H2,1-3H3,(H,31,32,35)/t17-,19+/m1/s1
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220n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50341201
PNG
((R)-N-(7-(N-ethylacetamido)-4-methoxybenzo[d]thiaz...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CCN(C3)S(=O)(=O)c3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C24H25F3N4O5S2/c1-4-31(14(2)32)18-8-9-19(36-3)20-21(18)37-23(28-20)29-22(33)15-10-11-30(13-15)38(34,35)17-7-5-6-16(12-17)24(25,26)27/h5-9,12,15H,4,10-11,13H2,1-3H3,(H,28,29,33)/t15-/m1/s1
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220n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50341186
PNG
(CHEMBL1760892 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)C3CCN(CC3)C(=O)c3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C26H27F3N4O4S/c1-4-33(15(2)34)19-8-9-20(37-3)21-22(19)38-25(30-21)31-23(35)16-10-12-32(13-11-16)24(36)17-6-5-7-18(14-17)26(27,28)29/h5-9,14,16H,4,10-13H2,1-3H3,(H,30,31,35)
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230n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50341187
PNG
(CHEMBL1760900 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)N3CCC(CC3)c3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C25H27F3N4O3S/c1-4-32(15(2)33)19-8-9-20(35-3)21-22(19)36-23(29-21)30-24(34)31-12-10-16(11-13-31)17-6-5-7-18(14-17)25(26,27)28/h5-9,14,16H,4,10-13H2,1-3H3,(H,29,30,34)
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240n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


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


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

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 after 1 hr


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

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50341196
PNG
(CHEMBL1760897 | trans-N-(7-(N-ethylacetamido)-4-me...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CC[C@@H](CC3)NCc3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C27H31F3N4O3S/c1-4-34(16(2)35)21-12-13-22(37-3)23-24(21)38-26(32-23)33-25(36)18-8-10-20(11-9-18)31-15-17-6-5-7-19(14-17)27(28,29)30/h5-7,12-14,18,20,31H,4,8-11,15H2,1-3H3,(H,32,33,36)/t18-,20-
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280n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50341190
PNG
(CHEMBL1760895 | trans-N-(4-(7-(N-ethylacetamido)-4...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CC[C@@H](CC3)NC(=O)c3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C27H29F3N4O4S/c1-4-34(15(2)35)20-12-13-21(38-3)22-23(20)39-26(32-22)33-24(36)16-8-10-19(11-9-16)31-25(37)17-6-5-7-18(14-17)27(28,29)30/h5-7,12-14,16,19H,4,8-11H2,1-3H3,(H,31,37)(H,32,33,36)/t16-,19-
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470n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50341198
PNG
(CHEMBL1760901 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)N3CCC(CC3)S(=O)(=O)c3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C25H27F3N4O5S2/c1-4-32(15(2)33)19-8-9-20(37-3)21-22(19)38-23(29-21)30-24(34)31-12-10-17(11-13-31)39(35,36)18-7-5-6-16(14-18)25(26,27)28/h5-9,14,17H,4,10-13H2,1-3H3,(H,29,30,34)
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530n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50341201
PNG
((R)-N-(7-(N-ethylacetamido)-4-methoxybenzo[d]thiaz...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CCN(C3)S(=O)(=O)c3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C24H25F3N4O5S2/c1-4-31(14(2)32)18-8-9-19(36-3)20-21(18)37-23(28-20)29-22(33)15-10-11-30(13-15)38(34,35)17-7-5-6-16(12-17)24(25,26)27/h5-9,12,15H,4,10-11,13H2,1-3H3,(H,28,29,33)/t15-/m1/s1
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600n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50341198
PNG
(CHEMBL1760901 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)N3CCC(CC3)S(=O)(=O)c3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C25H27F3N4O5S2/c1-4-32(15(2)33)19-8-9-20(37-3)21-22(19)38-23(29-21)30-24(34)31-12-10-17(11-13-31)39(35,36)18-7-5-6-16(14-18)25(26,27)28/h5-9,14,17H,4,10-13H2,1-3H3,(H,29,30,34)
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690n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50341200
PNG
((S)-N-(7-(N-ethylacetamido)-4-methoxybenzo[d]thiaz...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CCN(C3)C(=O)c3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C25H25F3N4O4S/c1-4-32(14(2)33)18-8-9-19(36-3)20-21(18)37-24(29-20)30-22(34)16-10-11-31(13-16)23(35)15-6-5-7-17(12-15)25(26,27)28/h5-9,12,16H,4,10-11,13H2,1-3H3,(H,29,30,34)/t16-/m0/s1
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710n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50341193
PNG
(CHEMBL1760894 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)C3CCN(Cc4cccc(c4)C(F)(F)F)CC3)sc12
Show InChI InChI=1S/C26H29F3N4O3S/c1-4-33(16(2)34)20-8-9-21(36-3)22-23(20)37-25(30-22)31-24(35)18-10-12-32(13-11-18)15-17-6-5-7-19(14-17)26(27,28)29/h5-9,14,18H,4,10-13,15H2,1-3H3,(H,30,31,35)
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1.00E+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 after 1 hr


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

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50341202
PNG
(CHEMBL1760893 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)C3CCN(CC3)S(=O)(=O)c3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C25H27F3N4O5S2/c1-4-32(15(2)33)19-8-9-20(37-3)21-22(19)38-24(29-21)30-23(34)16-10-12-31(13-11-16)39(35,36)18-7-5-6-17(14-18)25(26,27)28/h5-9,14,16H,4,10-13H2,1-3H3,(H,29,30,34)
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1.04E+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 after 1 hr


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

More data for this
Ligand-Target Pair
Adenosine receptor A1


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



Roche Research Center

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50341194
PNG
((R)-N-(7-(N-ethylacetamido)-4-methoxybenzo[d]thiaz...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CCN(C3)C(=O)c3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C25H25F3N4O4S/c1-4-32(14(2)33)18-8-9-19(36-3)20-21(18)37-24(29-20)30-22(34)16-10-11-31(13-16)23(35)15-6-5-7-17(12-15)25(26,27)28/h5-9,12,16H,4,10-11,13H2,1-3H3,(H,29,30,34)/t16-/m1/s1
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2.04E+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 after 1 hr


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

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
Inhibition of human adenosine A2B receptor expressed in CHO cells assessed as decrease in cellular cAMP level after 20 to 25 mins


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

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50341188
PNG
(CHEMBL1760899 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)N3CCC(O)(CC3)c3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C25H27F3N4O4S/c1-4-32(15(2)33)18-8-9-19(36-3)20-21(18)37-22(29-20)30-23(34)31-12-10-24(35,11-13-31)16-6-5-7-17(14-16)25(26,27)28/h5-9,14,35H,4,10-13H2,1-3H3,(H,29,30,34)
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n/an/a 8n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human adenosine A2B receptor expressed in CHO cells assessed as decrease in cellular cAMP level after 20 to 25 mins


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

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50341192
PNG
(CHEMBL1760889 | trans-N-((1R,3R)-3-(7-(N-ethylacet...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CC[C@H](C3)NC(=O)c3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C26H27F3N4O4S/c1-4-33(14(2)34)19-10-11-20(37-3)21-22(19)38-25(31-21)32-24(36)16-8-9-18(13-16)30-23(35)15-6-5-7-17(12-15)26(27,28)29/h5-7,10-12,16,18H,4,8-9,13H2,1-3H3,(H,30,35)(H,31,32,36)/t16-,18-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human adenosine A2B receptor expressed in CHO cells assessed as decrease in cellular cAMP level after 20 to 25 mins


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

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50341191
PNG
(CHEMBL1760888 | cis-N-((1S,3R)-3-(7-(N-ethylacetam...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CC[C@@H](C3)NC(=O)c3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C26H27F3N4O4S/c1-4-33(14(2)34)19-10-11-20(37-3)21-22(19)38-25(31-21)32-24(36)16-8-9-18(13-16)30-23(35)15-6-5-7-17(12-15)26(27,28)29/h5-7,10-12,16,18H,4,8-9,13H2,1-3H3,(H,30,35)(H,31,32,36)/t16-,18+/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human adenosine A2B receptor expressed in CHO cells assessed as decrease in cellular cAMP level after 20 to 25 mins


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

More data for this
Ligand-Target Pair
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