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Compile Data Set for Download or QSAR

Found 54 hits from B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A3


(Homo sapiens (human))
BDBM50064629
PNG
(CHEMBL3403737)
Show SMILES COc1ccc(Nc2nc(c(s2)C(=O)Nc2sc3CCCCc3c2C(N)=O)-c2ccc(C)cc2)cc1
Show InChI InChI=1S/C27H26N4O3S2/c1-15-7-9-16(10-8-15)22-23(36-27(30-22)29-17-11-13-18(34-2)14-12-17)25(33)31-26-21(24(28)32)19-5-3-4-6-20(19)35-26/h7-14H,3-6H2,1-2H3,(H2,28,32)(H,29,30)(H,31,33)
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330n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50064626
PNG
(CHEMBL3403734)
Show SMILES Cc1ccc(cc1)-c1nc(Nc2ccccc2)sc1C(=O)Nc1sc2CCCCc2c1C(N)=O
Show InChI InChI=1S/C26H24N4O2S2/c1-15-11-13-16(14-12-15)21-22(34-26(29-21)28-17-7-3-2-4-8-17)24(32)30-25-20(23(27)31)18-9-5-6-10-19(18)33-25/h2-4,7-8,11-14H,5-6,9-10H2,1H3,(H2,27,31)(H,28,29)(H,30,32)
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334n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50064637
PNG
(CHEMBL3403727)
Show SMILES CCOC(=O)c1c(NC(=O)c2sc(Nc3ccc(OC)cc3)nc2-c2ccc(C)cc2)sc2CCCCc12
Show InChI InChI=1S/C29H29N3O4S2/c1-4-36-28(34)23-21-7-5-6-8-22(21)37-27(23)32-26(33)25-24(18-11-9-17(2)10-12-18)31-29(38-25)30-19-13-15-20(35-3)16-14-19/h9-16H,4-8H2,1-3H3,(H,30,31)(H,32,33)
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520n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50064636
PNG
(CHEMBL3403726)
Show SMILES CCOC(=O)c1c(NC(=O)c2sc(Nc3ccc(C)cc3)nc2-c2ccc(C)cc2)sc2CCCCc12
Show InChI InChI=1S/C29H29N3O3S2/c1-4-35-28(34)23-21-7-5-6-8-22(21)36-27(23)32-26(33)25-24(19-13-9-17(2)10-14-19)31-29(37-25)30-20-15-11-18(3)12-16-20/h9-16H,4-8H2,1-3H3,(H,30,31)(H,32,33)
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2.16E+3n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50064626
PNG
(CHEMBL3403734)
Show SMILES Cc1ccc(cc1)-c1nc(Nc2ccccc2)sc1C(=O)Nc1sc2CCCCc2c1C(N)=O
Show InChI InChI=1S/C26H24N4O2S2/c1-15-11-13-16(14-12-15)21-22(34-26(29-21)28-17-7-3-2-4-8-17)24(32)30-25-20(23(27)31)18-9-5-6-10-19(18)33-25/h2-4,7-8,11-14H,5-6,9-10H2,1H3,(H2,27,31)(H,28,29)(H,30,32)
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2.38E+3n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50064631
PNG
(CHEMBL3403739)
Show SMILES CCOC(=O)c1c(C)c(sc1NC(=O)c1sc(Nc2ccc(OC)cc2)nc1N(C)C)C(=O)OC
Show InChI InChI=1S/C23H26N4O6S2/c1-7-33-21(29)15-12(2)16(22(30)32-6)34-20(15)26-19(28)17-18(27(3)4)25-23(35-17)24-13-8-10-14(31-5)11-9-13/h8-11H,7H2,1-6H3,(H,24,25)(H,26,28)
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2.73E+3n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50064626
PNG
(CHEMBL3403734)
Show SMILES Cc1ccc(cc1)-c1nc(Nc2ccccc2)sc1C(=O)Nc1sc2CCCCc2c1C(N)=O
Show InChI InChI=1S/C26H24N4O2S2/c1-15-11-13-16(14-12-15)21-22(34-26(29-21)28-17-7-3-2-4-8-17)24(32)30-25-20(23(27)31)18-9-5-6-10-19(18)33-25/h2-4,7-8,11-14H,5-6,9-10H2,1H3,(H2,27,31)(H,28,29)(H,30,32)
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3.44E+3n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50064630
PNG
(CHEMBL3403738)
Show SMILES Cc1nc(Nc2ccc(C)cc2)sc1C(=O)Nc1sc2CCCCc2c1C#N
Show InChI InChI=1S/C21H20N4OS2/c1-12-7-9-14(10-8-12)24-21-23-13(2)18(28-21)19(26)25-20-16(11-22)15-5-3-4-6-17(15)27-20/h7-10H,3-6H2,1-2H3,(H,23,24)(H,25,26)
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3.87E+3n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50064633
PNG
(CHEMBL3403741)
Show SMILES CCOC(=O)c1c(C)c(sc1NC(=O)c1sc(Nc2ccc(C)cc2)nc1N(C)C)C(=O)OC
Show InChI InChI=1S/C23H26N4O5S2/c1-7-32-21(29)15-13(3)16(22(30)31-6)33-20(15)26-19(28)17-18(27(4)5)25-23(34-17)24-14-10-8-12(2)9-11-14/h8-11H,7H2,1-6H3,(H,24,25)(H,26,28)
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3.91E+3n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50064620
PNG
(CHEMBL3403728)
Show SMILES CCOC(=O)c1c(NC(=O)c2sc(Nc3ccccc3)nc2-c2ccc(C)cc2)sc2CCCCc12
Show InChI InChI=1S/C28H27N3O3S2/c1-3-34-27(33)22-20-11-7-8-12-21(20)35-26(22)31-25(32)24-23(18-15-13-17(2)14-16-18)30-28(36-24)29-19-9-5-4-6-10-19/h4-6,9-10,13-16H,3,7-8,11-12H2,1-2H3,(H,29,30)(H,31,32)
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4.09E+3n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50064634
PNG
(CHEMBL3403724)
Show SMILES CCOC(=O)c1c(NC(=O)c2sc(Nc3ccccc3)nc2N(C)C)sc2CCCCc12
Show InChI InChI=1S/C23H26N4O3S2/c1-4-30-22(29)17-15-12-8-9-13-16(15)31-21(17)26-20(28)18-19(27(2)3)25-23(32-18)24-14-10-6-5-7-11-14/h5-7,10-11H,4,8-9,12-13H2,1-3H3,(H,24,25)(H,26,28)
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4.12E+3n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50064621
PNG
(CHEMBL3403729)
Show SMILES CCOC(=O)c1c(NC(=O)c2sc(Nc3ccc(C)cc3)nc2N(C)C)sc2CCCCc12
Show InChI InChI=1S/C24H28N4O3S2/c1-5-31-23(30)18-16-8-6-7-9-17(16)32-22(18)27-21(29)19-20(28(3)4)26-24(33-19)25-15-12-10-14(2)11-13-15/h10-13H,5-9H2,1-4H3,(H,25,26)(H,27,29)
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4.71E+3n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50064630
PNG
(CHEMBL3403738)
Show SMILES Cc1nc(Nc2ccc(C)cc2)sc1C(=O)Nc1sc2CCCCc2c1C#N
Show InChI InChI=1S/C21H20N4OS2/c1-12-7-9-14(10-8-12)24-21-23-13(2)18(28-21)19(26)25-20-16(11-22)15-5-3-4-6-17(15)27-20/h7-10H,3-6H2,1-2H3,(H,23,24)(H,25,26)
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5.67E+3n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50064634
PNG
(CHEMBL3403724)
Show SMILES CCOC(=O)c1c(NC(=O)c2sc(Nc3ccccc3)nc2N(C)C)sc2CCCCc12
Show InChI InChI=1S/C23H26N4O3S2/c1-4-30-22(29)17-15-12-8-9-13-16(15)31-21(17)26-20(28)18-19(27(2)3)25-23(32-18)24-14-10-6-5-7-11-14/h5-7,10-11H,4,8-9,12-13H2,1-3H3,(H,24,25)(H,26,28)
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6.45E+3n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50064625
PNG
(CHEMBL3403733)
Show SMILES CN(C)c1nc(Nc2ccc(C)cc2)sc1C(=O)Nc1sc2CCCCc2c1C(N)=O
Show InChI InChI=1S/C22H25N5O2S2/c1-12-8-10-13(11-9-12)24-22-25-19(27(2)3)17(31-22)20(29)26-21-16(18(23)28)14-6-4-5-7-15(14)30-21/h8-11H,4-7H2,1-3H3,(H2,23,28)(H,24,25)(H,26,29)
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7.13E+3n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50064620
PNG
(CHEMBL3403728)
Show SMILES CCOC(=O)c1c(NC(=O)c2sc(Nc3ccccc3)nc2-c2ccc(C)cc2)sc2CCCCc12
Show InChI InChI=1S/C28H27N3O3S2/c1-3-34-27(33)22-20-11-7-8-12-21(20)35-26(22)31-25(32)24-23(18-15-13-17(2)14-16-18)30-28(36-24)29-19-9-5-4-6-10-19/h4-6,9-10,13-16H,3,7-8,11-12H2,1-2H3,(H,29,30)(H,31,32)
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7.75E+3n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50064635
PNG
(CHEMBL3403725)
Show SMILES CCOC(=O)c1c(NC(=O)c2sc(Nc3ccc(C)cc3)nc2C)sc2CCCCc12
Show InChI InChI=1S/C23H25N3O3S2/c1-4-29-22(28)18-16-7-5-6-8-17(16)30-21(18)26-20(27)19-14(3)24-23(31-19)25-15-11-9-13(2)10-12-15/h9-12H,4-8H2,1-3H3,(H,24,25)(H,26,27)
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8.22E+3n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50064628
PNG
(CHEMBL3403736)
Show SMILES COc1ccc(Nc2nc(c(s2)C(=O)Nc2sc3CCCCc3c2C#N)-c2ccc(C)cc2)cc1
Show InChI InChI=1S/C27H24N4O2S2/c1-16-7-9-17(10-8-16)23-24(35-27(30-23)29-18-11-13-19(33-2)14-12-18)25(32)31-26-21(15-28)20-5-3-4-6-22(20)34-26/h7-14H,3-6H2,1-2H3,(H,29,30)(H,31,32)
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9.56E+3n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50064631
PNG
(CHEMBL3403739)
Show SMILES CCOC(=O)c1c(C)c(sc1NC(=O)c1sc(Nc2ccc(OC)cc2)nc1N(C)C)C(=O)OC
Show InChI InChI=1S/C23H26N4O6S2/c1-7-33-21(29)15-12(2)16(22(30)32-6)34-20(15)26-19(28)17-18(27(3)4)25-23(35-17)24-13-8-10-14(31-5)11-9-13/h8-11H,7H2,1-6H3,(H,24,25)(H,26,28)
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9.66E+3n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50064637
PNG
(CHEMBL3403727)
Show SMILES CCOC(=O)c1c(NC(=O)c2sc(Nc3ccc(OC)cc3)nc2-c2ccc(C)cc2)sc2CCCCc12
Show InChI InChI=1S/C29H29N3O4S2/c1-4-36-28(34)23-21-7-5-6-8-22(21)37-27(23)32-26(33)25-24(18-11-9-17(2)10-12-18)31-29(38-25)30-19-13-15-20(35-3)16-14-19/h9-16H,4-8H2,1-3H3,(H,30,31)(H,32,33)
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>1.00E+4n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50064629
PNG
(CHEMBL3403737)
Show SMILES COc1ccc(Nc2nc(c(s2)C(=O)Nc2sc3CCCCc3c2C(N)=O)-c2ccc(C)cc2)cc1
Show InChI InChI=1S/C27H26N4O3S2/c1-15-7-9-16(10-8-15)22-23(36-27(30-22)29-17-11-13-18(34-2)14-12-17)25(33)31-26-21(24(28)32)19-5-3-4-6-20(19)35-26/h7-14H,3-6H2,1-2H3,(H2,28,32)(H,29,30)(H,31,33)
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>1.00E+4n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50064627
PNG
(CHEMBL3403735)
Show SMILES Cc1ccc(Nc2nc(c(s2)C(=O)Nc2sc3CCCCc3c2C#N)-c2ccc(C)cc2)cc1
Show InChI InChI=1S/C27H24N4OS2/c1-16-7-11-18(12-8-16)23-24(34-27(30-23)29-19-13-9-17(2)10-14-19)25(32)31-26-21(15-28)20-5-3-4-6-22(20)33-26/h7-14H,3-6H2,1-2H3,(H,29,30)(H,31,32)
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>1.00E+4n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50064624
PNG
(CHEMBL3403732)
Show SMILES CN(C)c1nc(Nc2ccc(C)cc2)sc1C(=O)Nc1sc2CCCCc2c1C#N
Show InChI InChI=1S/C22H23N5OS2/c1-13-8-10-14(11-9-13)24-22-25-19(27(2)3)18(30-22)20(28)26-21-16(12-23)15-6-4-5-7-17(15)29-21/h8-11H,4-7H2,1-3H3,(H,24,25)(H,26,28)
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>1.00E+4n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50064627
PNG
(CHEMBL3403735)
Show SMILES Cc1ccc(Nc2nc(c(s2)C(=O)Nc2sc3CCCCc3c2C#N)-c2ccc(C)cc2)cc1
Show InChI InChI=1S/C27H24N4OS2/c1-16-7-11-18(12-8-16)23-24(34-27(30-23)29-19-13-9-17(2)10-14-19)25(32)31-26-21(15-28)20-5-3-4-6-22(20)33-26/h7-14H,3-6H2,1-2H3,(H,29,30)(H,31,32)
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>1.00E+4n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50064637
PNG
(CHEMBL3403727)
Show SMILES CCOC(=O)c1c(NC(=O)c2sc(Nc3ccc(OC)cc3)nc2-c2ccc(C)cc2)sc2CCCCc12
Show InChI InChI=1S/C29H29N3O4S2/c1-4-36-28(34)23-21-7-5-6-8-22(21)37-27(23)32-26(33)25-24(18-11-9-17(2)10-12-18)31-29(38-25)30-19-13-15-20(35-3)16-14-19/h9-16H,4-8H2,1-3H3,(H,30,31)(H,32,33)
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>1.00E+4n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50064627
PNG
(CHEMBL3403735)
Show SMILES Cc1ccc(Nc2nc(c(s2)C(=O)Nc2sc3CCCCc3c2C#N)-c2ccc(C)cc2)cc1
Show InChI InChI=1S/C27H24N4OS2/c1-16-7-11-18(12-8-16)23-24(34-27(30-23)29-19-13-9-17(2)10-14-19)25(32)31-26-21(15-28)20-5-3-4-6-22(20)33-26/h7-14H,3-6H2,1-2H3,(H,29,30)(H,31,32)
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>1.00E+4n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50064631
PNG
(CHEMBL3403739)
Show SMILES CCOC(=O)c1c(C)c(sc1NC(=O)c1sc(Nc2ccc(OC)cc2)nc1N(C)C)C(=O)OC
Show InChI InChI=1S/C23H26N4O6S2/c1-7-33-21(29)15-12(2)16(22(30)32-6)34-20(15)26-19(28)17-18(27(3)4)25-23(35-17)24-13-8-10-14(31-5)11-9-13/h8-11H,7H2,1-6H3,(H,24,25)(H,26,28)
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1.40E+4n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50064621
PNG
(CHEMBL3403729)
Show SMILES CCOC(=O)c1c(NC(=O)c2sc(Nc3ccc(C)cc3)nc2N(C)C)sc2CCCCc12
Show InChI InChI=1S/C24H28N4O3S2/c1-5-31-23(30)18-16-8-6-7-9-17(16)32-22(18)27-21(29)19-20(28(3)4)26-24(33-19)25-15-12-10-14(2)11-13-15/h10-13H,5-9H2,1-4H3,(H,25,26)(H,27,29)
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1.80E+4n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50064633
PNG
(CHEMBL3403741)
Show SMILES CCOC(=O)c1c(C)c(sc1NC(=O)c1sc(Nc2ccc(C)cc2)nc1N(C)C)C(=O)OC
Show InChI InChI=1S/C23H26N4O5S2/c1-7-32-21(29)15-13(3)16(22(30)31-6)33-20(15)26-19(28)17-18(27(4)5)25-23(34-17)24-14-10-8-12(2)9-11-14/h8-11H,7H2,1-6H3,(H,24,25)(H,26,28)
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1.90E+4n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50064625
PNG
(CHEMBL3403733)
Show SMILES CN(C)c1nc(Nc2ccc(C)cc2)sc1C(=O)Nc1sc2CCCCc2c1C(N)=O
Show InChI InChI=1S/C22H25N5O2S2/c1-12-8-10-13(11-9-12)24-22-25-19(27(2)3)17(31-22)20(29)26-21-16(18(23)28)14-6-4-5-7-15(14)30-21/h8-11H,4-7H2,1-3H3,(H2,23,28)(H,24,25)(H,26,29)
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2.23E+4n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50064621
PNG
(CHEMBL3403729)
Show SMILES CCOC(=O)c1c(NC(=O)c2sc(Nc3ccc(C)cc3)nc2N(C)C)sc2CCCCc12
Show InChI InChI=1S/C24H28N4O3S2/c1-5-31-23(30)18-16-8-6-7-9-17(16)32-22(18)27-21(29)19-20(28(3)4)26-24(33-19)25-15-12-10-14(2)11-13-15/h10-13H,5-9H2,1-4H3,(H,25,26)(H,27,29)
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2.35E+4n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50064633
PNG
(CHEMBL3403741)
Show SMILES CCOC(=O)c1c(C)c(sc1NC(=O)c1sc(Nc2ccc(C)cc2)nc1N(C)C)C(=O)OC
Show InChI InChI=1S/C23H26N4O5S2/c1-7-32-21(29)15-13(3)16(22(30)31-6)33-20(15)26-19(28)17-18(27(4)5)25-23(34-17)24-14-10-8-12(2)9-11-14/h8-11H,7H2,1-6H3,(H,24,25)(H,26,28)
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2.66E+4n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50064620
PNG
(CHEMBL3403728)
Show SMILES CCOC(=O)c1c(NC(=O)c2sc(Nc3ccccc3)nc2-c2ccc(C)cc2)sc2CCCCc12
Show InChI InChI=1S/C28H27N3O3S2/c1-3-34-27(33)22-20-11-7-8-12-21(20)35-26(22)31-25(32)24-23(18-15-13-17(2)14-16-18)30-28(36-24)29-19-9-5-4-6-10-19/h4-6,9-10,13-16H,3,7-8,11-12H2,1-2H3,(H,29,30)(H,31,32)
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2.84E+4n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50064628
PNG
(CHEMBL3403736)
Show SMILES COc1ccc(Nc2nc(c(s2)C(=O)Nc2sc3CCCCc3c2C#N)-c2ccc(C)cc2)cc1
Show InChI InChI=1S/C27H24N4O2S2/c1-16-7-9-17(10-8-16)23-24(35-27(30-23)29-18-11-13-19(33-2)14-12-18)25(32)31-26-21(15-28)20-5-3-4-6-22(20)34-26/h7-14H,3-6H2,1-2H3,(H,29,30)(H,31,32)
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>3.00E+4n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50064635
PNG
(CHEMBL3403725)
Show SMILES CCOC(=O)c1c(NC(=O)c2sc(Nc3ccc(C)cc3)nc2C)sc2CCCCc12
Show InChI InChI=1S/C23H25N3O3S2/c1-4-29-22(28)18-16-7-5-6-8-17(16)30-21(18)26-20(27)19-14(3)24-23(31-19)25-15-11-9-13(2)10-12-15/h9-12H,4-8H2,1-3H3,(H,24,25)(H,26,27)
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>3.00E+4n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50064636
PNG
(CHEMBL3403726)
Show SMILES CCOC(=O)c1c(NC(=O)c2sc(Nc3ccc(C)cc3)nc2-c2ccc(C)cc2)sc2CCCCc12
Show InChI InChI=1S/C29H29N3O3S2/c1-4-35-28(34)23-21-7-5-6-8-22(21)36-27(23)32-26(33)25-24(19-13-9-17(2)10-14-19)31-29(37-25)30-20-15-11-18(3)12-16-20/h9-16H,4-8H2,1-3H3,(H,30,31)(H,32,33)
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>3.00E+4n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50064632
PNG
(CHEMBL3403740)
Show SMILES CCOC(=O)c1c(C)c(sc1NC(=O)c1sc(Nc2ccc(C)cc2)nc1C)C(=O)OC
Show InChI InChI=1S/C22H23N3O5S2/c1-6-30-20(27)15-12(3)16(21(28)29-5)31-19(15)25-18(26)17-13(4)23-22(32-17)24-14-9-7-11(2)8-10-14/h7-10H,6H2,1-5H3,(H,23,24)(H,25,26)
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>3.00E+4n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50064632
PNG
(CHEMBL3403740)
Show SMILES CCOC(=O)c1c(C)c(sc1NC(=O)c1sc(Nc2ccc(C)cc2)nc1C)C(=O)OC
Show InChI InChI=1S/C22H23N3O5S2/c1-6-30-20(27)15-12(3)16(21(28)29-5)31-19(15)25-18(26)17-13(4)23-22(32-17)24-14-9-7-11(2)8-10-14/h7-10H,6H2,1-5H3,(H,23,24)(H,25,26)
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>3.00E+4n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50064622
PNG
(CHEMBL3403730)
Show SMILES CCOC(=O)c1c(NC(=O)c2sc(NOC(C)=O)nc2N(C)C)sc2CCCCc12
Show InChI InChI=1S/C19H24N4O5S2/c1-5-27-18(26)13-11-8-6-7-9-12(11)29-17(13)21-16(25)14-15(23(3)4)20-19(30-14)22-28-10(2)24/h5-9H2,1-4H3,(H,20,22)(H,21,25)
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>3.00E+4n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50064636
PNG
(CHEMBL3403726)
Show SMILES CCOC(=O)c1c(NC(=O)c2sc(Nc3ccc(C)cc3)nc2-c2ccc(C)cc2)sc2CCCCc12
Show InChI InChI=1S/C29H29N3O3S2/c1-4-35-28(34)23-21-7-5-6-8-22(21)36-27(23)32-26(33)25-24(19-13-9-17(2)10-14-19)31-29(37-25)30-20-15-11-18(3)12-16-20/h9-16H,4-8H2,1-3H3,(H,30,31)(H,32,33)
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>3.00E+4n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50064635
PNG
(CHEMBL3403725)
Show SMILES CCOC(=O)c1c(NC(=O)c2sc(Nc3ccc(C)cc3)nc2C)sc2CCCCc12
Show InChI InChI=1S/C23H25N3O3S2/c1-4-29-22(28)18-16-7-5-6-8-17(16)30-21(18)26-20(27)19-14(3)24-23(31-19)25-15-11-9-13(2)10-12-15/h9-12H,4-8H2,1-3H3,(H,24,25)(H,26,27)
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>3.00E+4n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50064632
PNG
(CHEMBL3403740)
Show SMILES CCOC(=O)c1c(C)c(sc1NC(=O)c1sc(Nc2ccc(C)cc2)nc1C)C(=O)OC
Show InChI InChI=1S/C22H23N3O5S2/c1-6-30-20(27)15-12(3)16(21(28)29-5)31-19(15)25-18(26)17-13(4)23-22(32-17)24-14-9-7-11(2)8-10-14/h7-10H,6H2,1-5H3,(H,23,24)(H,25,26)
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>3.00E+4n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50064630
PNG
(CHEMBL3403738)
Show SMILES Cc1nc(Nc2ccc(C)cc2)sc1C(=O)Nc1sc2CCCCc2c1C#N
Show InChI InChI=1S/C21H20N4OS2/c1-12-7-9-14(10-8-12)24-21-23-13(2)18(28-21)19(26)25-20-16(11-22)15-5-3-4-6-17(15)27-20/h7-10H,3-6H2,1-2H3,(H,23,24)(H,25,26)
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>3.00E+4n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50064629
PNG
(CHEMBL3403737)
Show SMILES COc1ccc(Nc2nc(c(s2)C(=O)Nc2sc3CCCCc3c2C(N)=O)-c2ccc(C)cc2)cc1
Show InChI InChI=1S/C27H26N4O3S2/c1-15-7-9-16(10-8-15)22-23(36-27(30-22)29-17-11-13-18(34-2)14-12-17)25(33)31-26-21(24(28)32)19-5-3-4-6-20(19)35-26/h7-14H,3-6H2,1-2H3,(H2,28,32)(H,29,30)(H,31,33)
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>3.00E+4n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50064628
PNG
(CHEMBL3403736)
Show SMILES COc1ccc(Nc2nc(c(s2)C(=O)Nc2sc3CCCCc3c2C#N)-c2ccc(C)cc2)cc1
Show InChI InChI=1S/C27H24N4O2S2/c1-16-7-9-17(10-8-16)23-24(35-27(30-23)29-18-11-13-19(33-2)14-12-18)25(32)31-26-21(15-28)20-5-3-4-6-22(20)34-26/h7-14H,3-6H2,1-2H3,(H,29,30)(H,31,32)
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>3.00E+4n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50064623
PNG
(CHEMBL3403731)
Show SMILES CN(C)c1nc(Nc2ccccc2)sc1C(=O)Nc1sc2CCCCc2c1C#N
Show InChI InChI=1S/C21H21N5OS2/c1-26(2)18-17(29-21(24-18)23-13-8-4-3-5-9-13)19(27)25-20-15(12-22)14-10-6-7-11-16(14)28-20/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,23,24)(H,25,27)
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>3.00E+4n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50064623
PNG
(CHEMBL3403731)
Show SMILES CN(C)c1nc(Nc2ccccc2)sc1C(=O)Nc1sc2CCCCc2c1C#N
Show InChI InChI=1S/C21H21N5OS2/c1-26(2)18-17(29-21(24-18)23-13-8-4-3-5-9-13)19(27)25-20-15(12-22)14-10-6-7-11-16(14)28-20/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,23,24)(H,25,27)
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B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50064625
PNG
(CHEMBL3403733)
Show SMILES CN(C)c1nc(Nc2ccc(C)cc2)sc1C(=O)Nc1sc2CCCCc2c1C(N)=O
Show InChI InChI=1S/C22H25N5O2S2/c1-12-8-10-13(11-9-12)24-22-25-19(27(2)3)17(31-22)20(29)26-21-16(18(23)28)14-6-4-5-7-15(14)30-21/h8-11H,4-7H2,1-3H3,(H2,23,28)(H,24,25)(H,26,29)
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3.24E+4n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50064624
PNG
(CHEMBL3403732)
Show SMILES CN(C)c1nc(Nc2ccc(C)cc2)sc1C(=O)Nc1sc2CCCCc2c1C#N
Show InChI InChI=1S/C22H23N5OS2/c1-13-8-10-14(11-9-13)24-22-25-19(27(2)3)18(30-22)20(28)26-21-16(12-23)15-6-4-5-7-17(15)29-21/h8-11H,4-7H2,1-3H3,(H,24,25)(H,26,28)
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3.40E+4n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50064623
PNG
(CHEMBL3403731)
Show SMILES CN(C)c1nc(Nc2ccccc2)sc1C(=O)Nc1sc2CCCCc2c1C#N
Show InChI InChI=1S/C21H21N5OS2/c1-26(2)18-17(29-21(24-18)23-13-8-4-3-5-9-13)19(27)25-20-15(12-22)14-10-6-7-11-16(14)28-20/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,23,24)(H,25,27)
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3.56E+4n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
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