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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 307.7
BDBM50189060
Wt: 298.6
BDBM50189062
Wt: 305.7
BDBM50189065
Wt: 276.7
BDBM50189090
Wt: 297.3
BDBM50189050
Wt: 299.3
BDBM50189098
Wt: 271.3
BDBM50189100
Wt: 297.1
BDBM50189101
Wt: 290.7
BDBM50189102
Wt: 299.7
BDBM50189176
Wt: 262.7
BDBM50189178
Wt: 292.7
BDBM50189179
Wt: 309.3
BDBM50211083
Wt: 289.3
BDBM50211093
Wt: 275.3
BDBM50211090
Displayed 1 to 15 (of 93 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 60 hits in this display   
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))
BDBM50211093
PNG
(CHEMBL3984266)
Show SMILES CCCCNc1nc(N)c2nc(sc2n1)-c1ccco1
Show InChI InChI=1S/C13H15N5OS/c1-2-3-6-15-13-17-10(14)9-12(18-13)20-11(16-9)8-5-4-7-19-8/h4-5,7H,2-3,6H2,1H3,(H3,14,15,17,18)
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8.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes measured after 60 mins by scintillation counting metho...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50211090
PNG
(CHEMBL3963278)
Show SMILES CCCNc1nc(N)c2nc(sc2n1)-c1ccco1
Show InChI InChI=1S/C12H13N5OS/c1-2-5-14-12-16-9(13)8-11(17-12)19-10(15-8)7-4-3-6-18-7/h3-4,6H,2,5H2,1H3,(H3,13,14,16,17)
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17n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes measured after 60 mins by scintillation counting metho...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptors; A2b & A3


(Homo sapiens (human))
BDBM50211093
PNG
(CHEMBL3984266)
Show SMILES CCCCNc1nc(N)c2nc(sc2n1)-c1ccco1
Show InChI InChI=1S/C13H15N5OS/c1-2-3-6-15-13-17-10(14)9-12(18-13)20-11(16-9)8-5-4-7-19-8/h4-5,7H,2-3,6H2,1H3,(H3,14,15,17,18)
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23n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes measured after 120 mins by scintillation counting meth...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptors; A2b & A3


(Homo sapiens (human))
BDBM50211090
PNG
(CHEMBL3963278)
Show SMILES CCCNc1nc(N)c2nc(sc2n1)-c1ccco1
Show InChI InChI=1S/C12H13N5OS/c1-2-5-14-12-16-9(13)8-11(17-12)19-10(15-8)7-4-3-6-18-7/h3-4,6H,2,5H2,1H3,(H3,13,14,16,17)
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35n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes measured after 120 mins by scintillation counting meth...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50211093
PNG
(CHEMBL3984266)
Show SMILES CCCCNc1nc(N)c2nc(sc2n1)-c1ccco1
Show InChI InChI=1S/C13H15N5OS/c1-2-3-6-15-13-17-10(14)9-12(18-13)20-11(16-9)8-5-4-7-19-8/h4-5,7H,2-3,6H2,1H3,(H3,14,15,17,18)
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41n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50211090
PNG
(CHEMBL3963278)
Show SMILES CCCNc1nc(N)c2nc(sc2n1)-c1ccco1
Show InChI InChI=1S/C12H13N5OS/c1-2-5-14-12-16-9(13)8-11(17-12)19-10(15-8)7-4-3-6-18-7/h3-4,6H,2,5H2,1H3,(H3,13,14,16,17)
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64n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptors; A2b & A3


(Homo sapiens (human))
BDBM50211083
PNG
(CHEMBL3922410)
Show SMILES Nc1nc(Nc2ccccc2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C15H11N5OS/c16-12-11-14(22-13(18-11)10-7-4-8-21-10)20-15(19-12)17-9-5-2-1-3-6-9/h1-8H,(H3,16,17,19,20)
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321n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes measured after 120 mins by scintillation counting meth...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50189050
PNG
(CHEMBL3827207)
Show SMILES C1CCN(C1)c1ncnc2sc(Nc3ccccc3)nc12
Show InChI InChI=1S/C15H15N5S/c1-2-6-11(7-3-1)18-15-19-12-13(20-8-4-5-9-20)16-10-17-14(12)21-15/h1-3,6-7,10H,4-5,8-9H2,(H,18,19)
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351n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A2A receptor expressed in CHO cell membrane after 3 hrs by microbeta scintillation counting...


J Med Chem 59: 5922-8 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00552
BindingDB Entry DOI: 10.7270/Q2P84DV8
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50211083
PNG
(CHEMBL3922410)
Show SMILES Nc1nc(Nc2ccccc2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C15H11N5OS/c16-12-11-14(22-13(18-11)10-7-4-8-21-10)20-15(19-12)17-9-5-2-1-3-6-9/h1-8H,(H3,16,17,19,20)
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645n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50211083
PNG
(CHEMBL3922410)
Show SMILES Nc1nc(Nc2ccccc2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C15H11N5OS/c16-12-11-14(22-13(18-11)10-7-4-8-21-10)20-15(19-12)17-9-5-2-1-3-6-9/h1-8H,(H3,16,17,19,20)
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782n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes measured after 60 mins by scintillation counting metho...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50189100
PNG
(CHEMBL3088342)
Show SMILES CN(C)c1ncnc2sc(Nc3ccccc3)nc12
Show InChI InChI=1S/C13H13N5S/c1-18(2)11-10-12(15-8-14-11)19-13(17-10)16-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,16,17)
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1.27E+3n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A2A receptor expressed in CHO cell membrane after 3 hrs by microbeta scintillation counting...


J Med Chem 59: 5922-8 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00552
BindingDB Entry DOI: 10.7270/Q2P84DV8
More data for this
Ligand-Target Pair
Adenosine receptors; A2b & A3


(Homo sapiens (human))
BDBM50189100
PNG
(CHEMBL3088342)
Show SMILES CN(C)c1ncnc2sc(Nc3ccccc3)nc12
Show InChI InChI=1S/C13H13N5S/c1-18(2)11-10-12(15-8-14-11)19-13(17-10)16-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,16,17)
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1.28E+3n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H]HEMADO from recombinant human adenosine A3 receptor expressed in CHO cell membrane after 3 hrs by microbeta scintillation countin...


J Med Chem 59: 5922-8 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00552
BindingDB Entry DOI: 10.7270/Q2P84DV8
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50189102
PNG
(CHEMBL3088338)
Show SMILES Clc1ncnc2sc(NC(=O)c3ccccc3)nc12
Show InChI InChI=1S/C12H7ClN4OS/c13-9-8-11(15-6-14-9)19-12(16-8)17-10(18)7-4-2-1-3-5-7/h1-6H,(H,16,17,18)
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1.50E+3n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A2A receptor expressed in CHO cell membrane after 3 hrs by microbeta scintillation counting...


J Med Chem 59: 5922-8 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00552
BindingDB Entry DOI: 10.7270/Q2P84DV8
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50189178
PNG
(CHEMBL3088335)
Show SMILES Clc1ncnc2sc(Nc3ccccc3)nc12
Show InChI InChI=1S/C11H7ClN4S/c12-9-8-10(14-6-13-9)17-11(16-8)15-7-4-2-1-3-5-7/h1-6H,(H,15,16)
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1.52E+3n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A2A receptor expressed in CHO cell membrane after 3 hrs by microbeta scintillation counting...


J Med Chem 59: 5922-8 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00552
BindingDB Entry DOI: 10.7270/Q2P84DV8
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50189098
PNG
(CHEMBL3088341)
Show SMILES CCN(CC)c1ncnc2sc(Nc3ccccc3)nc12
Show InChI InChI=1S/C15H17N5S/c1-3-20(4-2)13-12-14(17-10-16-13)21-15(19-12)18-11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3,(H,18,19)
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2.21E+3n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A2A receptor expressed in CHO cell membrane after 3 hrs by microbeta scintillation counting...


J Med Chem 59: 5922-8 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00552
BindingDB Entry DOI: 10.7270/Q2P84DV8
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50189101
PNG
(CHEMBL3088337)
Show SMILES Clc1ccc(Nc2nc3c(Cl)ncnc3s2)cc1
Show InChI InChI=1S/C11H6Cl2N4S/c12-6-1-3-7(4-2-6)16-11-17-8-9(13)14-5-15-10(8)18-11/h1-5H,(H,16,17)
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2.69E+3n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A2A receptor expressed in CHO cell membrane after 3 hrs by microbeta scintillation counting...


J Med Chem 59: 5922-8 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00552
BindingDB Entry DOI: 10.7270/Q2P84DV8
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50189179
PNG
(CHEMBL3088336)
Show SMILES COc1ccc(Nc2nc3c(Cl)ncnc3s2)cc1
Show InChI InChI=1S/C12H9ClN4OS/c1-18-8-4-2-7(3-5-8)16-12-17-9-10(13)14-6-15-11(9)19-12/h2-6H,1H3,(H,16,17)
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3.57E+3n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A2A receptor expressed in CHO cell membrane after 3 hrs by microbeta scintillation counting...


J Med Chem 59: 5922-8 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00552
BindingDB Entry DOI: 10.7270/Q2P84DV8
More data for this
Ligand-Target Pair
Adenosine receptors; A2b & A3


(Homo sapiens (human))
BDBM50189178
PNG
(CHEMBL3088335)
Show SMILES Clc1ncnc2sc(Nc3ccccc3)nc12
Show InChI InChI=1S/C11H7ClN4S/c12-9-8-10(14-6-13-9)17-11(16-8)15-7-4-2-1-3-5-7/h1-6H,(H,15,16)
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3.67E+3n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H]HEMADO from recombinant human adenosine A3 receptor expressed in CHO cell membrane after 3 hrs by microbeta scintillation countin...


J Med Chem 59: 5922-8 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00552
BindingDB Entry DOI: 10.7270/Q2P84DV8
More data for this
Ligand-Target Pair
Adenosine receptors; A2b & A3


(Homo sapiens (human))
BDBM50189090
PNG
(CHEMBL3827748)
Show SMILES Cc1ccc(Nc2nc3c(Cl)ncnc3s2)cc1
Show InChI InChI=1S/C12H9ClN4S/c1-7-2-4-8(5-3-7)16-12-17-9-10(13)14-6-15-11(9)18-12/h2-6H,1H3,(H,16,17)
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4.64E+3n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H]HEMADO from recombinant human adenosine A3 receptor expressed in CHO cell membrane after 3 hrs by microbeta scintillation countin...


J Med Chem 59: 5922-8 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00552
BindingDB Entry DOI: 10.7270/Q2P84DV8
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50189090
PNG
(CHEMBL3827748)
Show SMILES Cc1ccc(Nc2nc3c(Cl)ncnc3s2)cc1
Show InChI InChI=1S/C12H9ClN4S/c1-7-2-4-8(5-3-7)16-12-17-9-10(13)14-6-15-11(9)18-12/h2-6H,1H3,(H,16,17)
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4.93E+3n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A2A receptor expressed in CHO cell membrane after 3 hrs by microbeta scintillation counting...


J Med Chem 59: 5922-8 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00552
BindingDB Entry DOI: 10.7270/Q2P84DV8
More data for this
Ligand-Target Pair
Adenosine receptors; A2b & A3


(Homo sapiens (human))
BDBM50189101
PNG
(CHEMBL3088337)
Show SMILES Clc1ccc(Nc2nc3c(Cl)ncnc3s2)cc1
Show InChI InChI=1S/C11H6Cl2N4S/c12-6-1-3-7(4-2-6)16-11-17-8-9(13)14-5-15-10(8)18-11/h1-5H,(H,16,17)
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4.94E+3n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H]HEMADO from recombinant human adenosine A3 receptor expressed in CHO cell membrane after 3 hrs by microbeta scintillation countin...


J Med Chem 59: 5922-8 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00552
BindingDB Entry DOI: 10.7270/Q2P84DV8
More data for this
Ligand-Target Pair
Adenosine receptors; A2b & A3


(Homo sapiens (human))
BDBM50189179
PNG
(CHEMBL3088336)
Show SMILES COc1ccc(Nc2nc3c(Cl)ncnc3s2)cc1
Show InChI InChI=1S/C12H9ClN4OS/c1-18-8-4-2-7(3-5-8)16-12-17-9-10(13)14-6-15-11(9)19-12/h2-6H,1H3,(H,16,17)
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5.88E+3n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H]HEMADO from recombinant human adenosine A3 receptor expressed in CHO cell membrane after 3 hrs by microbeta scintillation countin...


J Med Chem 59: 5922-8 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00552
BindingDB Entry DOI: 10.7270/Q2P84DV8
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50189102
PNG
(CHEMBL3088338)
Show SMILES Clc1ncnc2sc(NC(=O)c3ccccc3)nc12
Show InChI InChI=1S/C12H7ClN4OS/c13-9-8-11(15-6-14-9)19-12(16-8)17-10(18)7-4-2-1-3-5-7/h1-6H,(H,16,17,18)
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7.24E+3n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cell membrane after 3 hrs by microbeta scintillation counting ...


J Med Chem 59: 5922-8 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00552
BindingDB Entry DOI: 10.7270/Q2P84DV8
More data for this
Ligand-Target Pair
Adenosine receptors; A2b & A3


(Homo sapiens (human))
BDBM50189102
PNG
(CHEMBL3088338)
Show SMILES Clc1ncnc2sc(NC(=O)c3ccccc3)nc12
Show InChI InChI=1S/C12H7ClN4OS/c13-9-8-11(15-6-14-9)19-12(16-8)17-10(18)7-4-2-1-3-5-7/h1-6H,(H,16,17,18)
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7.33E+3n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H]HEMADO from recombinant human adenosine A3 receptor expressed in CHO cell membrane after 3 hrs by microbeta scintillation countin...


J Med Chem 59: 5922-8 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00552
BindingDB Entry DOI: 10.7270/Q2P84DV8
More data for this
Ligand-Target Pair
Adenosine receptors; A2b & A3


(Homo sapiens (human))
BDBM50189060
PNG
(CHEMBL3828031)
Show SMILES [O-][N+](=O)c1ccc(Nc2nc3c(Cl)ncnc3s2)cc1
Show InChI InChI=1S/C11H6ClN5O2S/c12-9-8-10(14-5-13-9)20-11(16-8)15-6-1-3-7(4-2-6)17(18)19/h1-5H,(H,15,16)
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7.95E+3n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H]HEMADO from recombinant human adenosine A3 receptor expressed in CHO cell membrane after 3 hrs by microbeta scintillation countin...


J Med Chem 59: 5922-8 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00552
BindingDB Entry DOI: 10.7270/Q2P84DV8
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50189062
PNG
(CHEMBL3828648)
Show SMILES Fc1cccc(F)c1Nc1nc2c(Cl)ncnc2s1
Show InChI InChI=1S/C11H5ClF2N4S/c12-9-8-10(16-4-15-9)19-11(18-8)17-7-5(13)2-1-3-6(7)14/h1-4H,(H,17,18)
PDB
MMDB

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8.11E+3n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A2A receptor expressed in CHO cell membrane after 3 hrs by microbeta scintillation counting...


J Med Chem 59: 5922-8 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00552
BindingDB Entry DOI: 10.7270/Q2P84DV8
More data for this
Ligand-Target Pair
Adenosine receptors; A2b & A3


(Homo sapiens (human))
BDBM50189050
PNG
(CHEMBL3827207)
Show SMILES C1CCN(C1)c1ncnc2sc(Nc3ccccc3)nc12
Show InChI InChI=1S/C15H15N5S/c1-2-6-11(7-3-1)18-15-19-12-13(20-8-4-5-9-20)16-10-17-14(12)21-15/h1-3,6-7,10H,4-5,8-9H2,(H,18,19)
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8.63E+3n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H]HEMADO from recombinant human adenosine A3 receptor expressed in CHO cell membrane after 3 hrs by microbeta scintillation countin...


J Med Chem 59: 5922-8 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00552
BindingDB Entry DOI: 10.7270/Q2P84DV8
More data for this
Ligand-Target Pair
Adenosine receptors; A2b & A3


(Homo sapiens (human))
BDBM50189065
PNG
(CHEMBL3088350)
Show SMILES CN(C)c1ncnc2sc(Nc3ccc(Cl)cc3)nc12
Show InChI InChI=1S/C13H12ClN5S/c1-19(2)11-10-12(16-7-15-11)20-13(18-10)17-9-5-3-8(14)4-6-9/h3-7H,1-2H3,(H,17,18)
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>1.00E+4n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H]HEMADO from recombinant human adenosine A3 receptor expressed in CHO cell membrane after 3 hrs by microbeta scintillation countin...


J Med Chem 59: 5922-8 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00552
BindingDB Entry DOI: 10.7270/Q2P84DV8
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50189062
PNG
(CHEMBL3828648)
Show SMILES Fc1cccc(F)c1Nc1nc2c(Cl)ncnc2s1
Show InChI InChI=1S/C11H5ClF2N4S/c12-9-8-10(16-4-15-9)19-11(18-8)17-7-5(13)2-1-3-6(7)14/h1-4H,(H,17,18)
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>1.00E+4n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human adenosine A2B receptor expressed in CHOK1 cell membrane assessed as inhibition of NECA-stimulated adenylyl c...


J Med Chem 59: 5922-8 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00552
BindingDB Entry DOI: 10.7270/Q2P84DV8
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50189176
PNG
(CHEMBL3828675)
Show SMILES Clc1ncnc2sc(NCCN3CCOCC3)nc12
Show InChI InChI=1S/C11H14ClN5OS/c12-9-8-10(15-7-14-9)19-11(16-8)13-1-2-17-3-5-18-6-4-17/h7H,1-6H2,(H,13,16)
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>1.00E+4n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human adenosine A2B receptor expressed in CHOK1 cell membrane assessed as inhibition of NECA-stimulated adenylyl c...


J Med Chem 59: 5922-8 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00552
BindingDB Entry DOI: 10.7270/Q2P84DV8
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50189090
PNG
(CHEMBL3827748)
Show SMILES Cc1ccc(Nc2nc3c(Cl)ncnc3s2)cc1
Show InChI InChI=1S/C12H9ClN4S/c1-7-2-4-8(5-3-7)16-12-17-9-10(13)14-6-15-11(9)18-12/h2-6H,1H3,(H,16,17)
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>1.00E+4n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human adenosine A2B receptor expressed in CHOK1 cell membrane assessed as inhibition of NECA-stimulated adenylyl c...


J Med Chem 59: 5922-8 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00552
BindingDB Entry DOI: 10.7270/Q2P84DV8
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50189178
PNG
(CHEMBL3088335)
Show SMILES Clc1ncnc2sc(Nc3ccccc3)nc12
Show InChI InChI=1S/C11H7ClN4S/c12-9-8-10(14-6-13-9)17-11(16-8)15-7-4-2-1-3-5-7/h1-6H,(H,15,16)
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>1.00E+4n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human adenosine A2B receptor expressed in CHOK1 cell membrane assessed as inhibition of NECA-stimulated adenylyl c...


J Med Chem 59: 5922-8 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00552
BindingDB Entry DOI: 10.7270/Q2P84DV8
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50189101
PNG
(CHEMBL3088337)
Show SMILES Clc1ccc(Nc2nc3c(Cl)ncnc3s2)cc1
Show InChI InChI=1S/C11H6Cl2N4S/c12-6-1-3-7(4-2-6)16-11-17-8-9(13)14-5-15-10(8)18-11/h1-5H,(H,16,17)
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>1.00E+4n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human adenosine A2B receptor expressed in CHOK1 cell membrane assessed as inhibition of NECA-stimulated adenylyl c...


J Med Chem 59: 5922-8 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00552
BindingDB Entry DOI: 10.7270/Q2P84DV8
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50189179
PNG
(CHEMBL3088336)
Show SMILES COc1ccc(Nc2nc3c(Cl)ncnc3s2)cc1
Show InChI InChI=1S/C12H9ClN4OS/c1-18-8-4-2-7(3-5-8)16-12-17-9-10(13)14-6-15-11(9)19-12/h2-6H,1H3,(H,16,17)
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>1.00E+4n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human adenosine A2B receptor expressed in CHOK1 cell membrane assessed as inhibition of NECA-stimulated adenylyl c...


J Med Chem 59: 5922-8 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00552
BindingDB Entry DOI: 10.7270/Q2P84DV8
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50189050
PNG
(CHEMBL3827207)
Show SMILES C1CCN(C1)c1ncnc2sc(Nc3ccccc3)nc12
Show InChI InChI=1S/C15H15N5S/c1-2-6-11(7-3-1)18-15-19-12-13(20-8-4-5-9-20)16-10-17-14(12)21-15/h1-3,6-7,10H,4-5,8-9H2,(H,18,19)
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>1.00E+4n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human adenosine A2B receptor expressed in CHOK1 cell membrane assessed as inhibition of NECA-stimulated adenylyl c...


J Med Chem 59: 5922-8 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00552
BindingDB Entry DOI: 10.7270/Q2P84DV8
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50189065
PNG
(CHEMBL3088350)
Show SMILES CN(C)c1ncnc2sc(Nc3ccc(Cl)cc3)nc12
Show InChI InChI=1S/C13H12ClN5S/c1-19(2)11-10-12(16-7-15-11)20-13(18-10)17-9-5-3-8(14)4-6-9/h3-7H,1-2H3,(H,17,18)
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>1.00E+4n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human adenosine A2B receptor expressed in CHOK1 cell membrane assessed as inhibition of NECA-stimulated adenylyl c...


J Med Chem 59: 5922-8 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00552
BindingDB Entry DOI: 10.7270/Q2P84DV8
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50189060
PNG
(CHEMBL3828031)
Show SMILES [O-][N+](=O)c1ccc(Nc2nc3c(Cl)ncnc3s2)cc1
Show InChI InChI=1S/C11H6ClN5O2S/c12-9-8-10(14-5-13-9)20-11(16-8)15-6-1-3-7(4-2-6)17(18)19/h1-5H,(H,15,16)
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>1.00E+4n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human adenosine A2B receptor expressed in CHOK1 cell membrane assessed as inhibition of NECA-stimulated adenylyl c...


J Med Chem 59: 5922-8 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00552
BindingDB Entry DOI: 10.7270/Q2P84DV8
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50189100
PNG
(CHEMBL3088342)
Show SMILES CN(C)c1ncnc2sc(Nc3ccccc3)nc12
Show InChI InChI=1S/C13H13N5S/c1-18(2)11-10-12(15-8-14-11)19-13(17-10)16-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,16,17)
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>1.00E+4n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human adenosine A2B receptor expressed in CHOK1 cell membrane assessed as inhibition of NECA-stimulated adenylyl c...


J Med Chem 59: 5922-8 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00552
BindingDB Entry DOI: 10.7270/Q2P84DV8
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50189098
PNG
(CHEMBL3088341)
Show SMILES CCN(CC)c1ncnc2sc(Nc3ccccc3)nc12
Show InChI InChI=1S/C15H17N5S/c1-3-20(4-2)13-12-14(17-10-16-13)21-15(19-12)18-11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3,(H,18,19)
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>1.00E+4n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human adenosine A2B receptor expressed in CHOK1 cell membrane assessed as inhibition of NECA-stimulated adenylyl c...


J Med Chem 59: 5922-8 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00552
BindingDB Entry DOI: 10.7270/Q2P84DV8
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50189102
PNG
(CHEMBL3088338)
Show SMILES Clc1ncnc2sc(NC(=O)c3ccccc3)nc12
Show InChI InChI=1S/C12H7ClN4OS/c13-9-8-11(15-6-14-9)19-12(16-8)17-10(18)7-4-2-1-3-5-7/h1-6H,(H,16,17,18)
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>1.00E+4n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human adenosine A2B receptor expressed in CHOK1 cell membrane assessed as inhibition of NECA-stimulated adenylyl c...


J Med Chem 59: 5922-8 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00552
BindingDB Entry DOI: 10.7270/Q2P84DV8
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50189179
PNG
(CHEMBL3088336)
Show SMILES COc1ccc(Nc2nc3c(Cl)ncnc3s2)cc1
Show InChI InChI=1S/C12H9ClN4OS/c1-18-8-4-2-7(3-5-8)16-12-17-9-10(13)14-6-15-11(9)19-12/h2-6H,1H3,(H,16,17)
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1.15E+4n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cell membrane after 3 hrs by microbeta scintillation counting ...


J Med Chem 59: 5922-8 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00552
BindingDB Entry DOI: 10.7270/Q2P84DV8
More data for this
Ligand-Target Pair
Adenosine receptors; A2b & A3


(Homo sapiens (human))
BDBM50189062
PNG
(CHEMBL3828648)
Show SMILES Fc1cccc(F)c1Nc1nc2c(Cl)ncnc2s1
Show InChI InChI=1S/C11H5ClF2N4S/c12-9-8-10(16-4-15-9)19-11(18-8)17-7-5(13)2-1-3-6(7)14/h1-4H,(H,17,18)
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1.72E+4n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H]HEMADO from recombinant human adenosine A3 receptor expressed in CHO cell membrane after 3 hrs by microbeta scintillation countin...


J Med Chem 59: 5922-8 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00552
BindingDB Entry DOI: 10.7270/Q2P84DV8
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50189062
PNG
(CHEMBL3828648)
Show SMILES Fc1cccc(F)c1Nc1nc2c(Cl)ncnc2s1
Show InChI InChI=1S/C11H5ClF2N4S/c12-9-8-10(16-4-15-9)19-11(18-8)17-7-5(13)2-1-3-6(7)14/h1-4H,(H,17,18)
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1.78E+4n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cell membrane after 3 hrs by microbeta scintillation counting ...


J Med Chem 59: 5922-8 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00552
BindingDB Entry DOI: 10.7270/Q2P84DV8
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50189101
PNG
(CHEMBL3088337)
Show SMILES Clc1ccc(Nc2nc3c(Cl)ncnc3s2)cc1
Show InChI InChI=1S/C11H6Cl2N4S/c12-6-1-3-7(4-2-6)16-11-17-8-9(13)14-5-15-10(8)18-11/h1-5H,(H,16,17)
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2.50E+4n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cell membrane after 3 hrs by microbeta scintillation counting ...


J Med Chem 59: 5922-8 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00552
BindingDB Entry DOI: 10.7270/Q2P84DV8
More data for this
Ligand-Target Pair
Adenosine receptors; A2b & A3


(Homo sapiens (human))
BDBM50189098
PNG
(CHEMBL3088341)
Show SMILES CCN(CC)c1ncnc2sc(Nc3ccccc3)nc12
Show InChI InChI=1S/C15H17N5S/c1-3-20(4-2)13-12-14(17-10-16-13)21-15(19-12)18-11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3,(H,18,19)
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>3.00E+4n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H]HEMADO from recombinant human adenosine A3 receptor expressed in CHO cell membrane after 3 hrs by microbeta scintillation countin...


J Med Chem 59: 5922-8 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00552
BindingDB Entry DOI: 10.7270/Q2P84DV8
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50189060
PNG
(CHEMBL3828031)
Show SMILES [O-][N+](=O)c1ccc(Nc2nc3c(Cl)ncnc3s2)cc1
Show InChI InChI=1S/C11H6ClN5O2S/c12-9-8-10(14-5-13-9)20-11(16-8)15-6-1-3-7(4-2-6)17(18)19/h1-5H,(H,15,16)
PDB
MMDB

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>3.00E+4n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A2A receptor expressed in CHO cell membrane after 3 hrs by microbeta scintillation counting...


J Med Chem 59: 5922-8 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00552
BindingDB Entry DOI: 10.7270/Q2P84DV8
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50189050
PNG
(CHEMBL3827207)
Show SMILES C1CCN(C1)c1ncnc2sc(Nc3ccccc3)nc12
Show InChI InChI=1S/C15H15N5S/c1-2-6-11(7-3-1)18-15-19-12-13(20-8-4-5-9-20)16-10-17-14(12)21-15/h1-3,6-7,10H,4-5,8-9H2,(H,18,19)
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>3.00E+4n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cell membrane after 3 hrs by microbeta scintillation counting ...


J Med Chem 59: 5922-8 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00552
BindingDB Entry DOI: 10.7270/Q2P84DV8
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50189060
PNG
(CHEMBL3828031)
Show SMILES [O-][N+](=O)c1ccc(Nc2nc3c(Cl)ncnc3s2)cc1
Show InChI InChI=1S/C11H6ClN5O2S/c12-9-8-10(14-5-13-9)20-11(16-8)15-6-1-3-7(4-2-6)17(18)19/h1-5H,(H,15,16)
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>3.00E+4n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cell membrane after 3 hrs by microbeta scintillation counting ...


J Med Chem 59: 5922-8 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00552
BindingDB Entry DOI: 10.7270/Q2P84DV8
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50189098
PNG
(CHEMBL3088341)
Show SMILES CCN(CC)c1ncnc2sc(Nc3ccccc3)nc12
Show InChI InChI=1S/C15H17N5S/c1-3-20(4-2)13-12-14(17-10-16-13)21-15(19-12)18-11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3,(H,18,19)
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>1.00E+5n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cell membrane after 3 hrs by microbeta scintillation counting ...


J Med Chem 59: 5922-8 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00552
BindingDB Entry DOI: 10.7270/Q2P84DV8
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50189065
PNG
(CHEMBL3088350)
Show SMILES CN(C)c1ncnc2sc(Nc3ccc(Cl)cc3)nc12
Show InChI InChI=1S/C13H12ClN5S/c1-19(2)11-10-12(16-7-15-11)20-13(18-10)17-9-5-3-8(14)4-6-9/h3-7H,1-2H3,(H,17,18)
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>1.00E+5n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cell membrane after 3 hrs by microbeta scintillation counting ...


J Med Chem 59: 5922-8 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00552
BindingDB Entry DOI: 10.7270/Q2P84DV8
More data for this
Ligand-Target Pair
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