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Compile Data Set for Download or QSAR

Found 158 hits Enz. Inhib. hit(s) with all data for entry = 50040149   
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 A3


(Homo sapiens (human))
BDBM50117108
PNG
(4-[3-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1cc[nH+]cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C17H13N9O2/c1-25-9-11-13(23-25)21-16(22-17(27)19-10-4-6-18-7-5-10)26-15(11)20-14(24-26)12-3-2-8-28-12/h2-9H,1H3,(H2,18,19,21,22,23,27)/p+1
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0.0100n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter


J Med Chem 55: 5380-90 (2012)


Article DOI: 10.1021/jm300323t
BindingDB Entry DOI: 10.7270/Q2CN7509
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM85618
PNG
(CHEMBL302765 | J1.251.181G | MRE 3008F20)
Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30)
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0.290n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter


J Med Chem 55: 5380-90 (2012)


Article DOI: 10.1021/jm300323t
BindingDB Entry DOI: 10.7270/Q2CN7509
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50389894
PNG
(CHEMBL2071048)
Show SMILES Cc1ccc(CNC(=O)N2CCC(CC2)NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C26H28N10O3/c1-16-5-7-17(8-6-16)14-27-26(38)35-11-9-18(10-12-35)28-25(37)31-24-30-21-19(15-34(2)32-21)23-29-22(33-36(23)24)20-4-3-13-39-20/h3-8,13,15,18H,9-12,14H2,1-2H3,(H,27,38)(H2,28,30,31,32,37)
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3.90n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter


J Med Chem 55: 5380-90 (2012)


Article DOI: 10.1021/jm300323t
BindingDB Entry DOI: 10.7270/Q2CN7509
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50389920
PNG
(CHEMBL2071046)
Show SMILES Cn1cc2c(n1)nc(NC(=O)NC1CCN(CC1)C(=O)NCc1ccc(F)cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C25H25FN10O3/c1-34-14-18-20(32-34)30-23(36-22(18)29-21(33-36)19-3-2-12-39-19)31-24(37)28-17-8-10-35(11-9-17)25(38)27-13-15-4-6-16(26)7-5-15/h2-7,12,14,17H,8-11,13H2,1H3,(H,27,38)(H2,28,30,31,32,37)
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4.90n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter


J Med Chem 55: 5380-90 (2012)


Article DOI: 10.1021/jm300323t
BindingDB Entry DOI: 10.7270/Q2CN7509
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50389918
PNG
(CHEMBL2069325)
Show SMILES Cn1cc2c(n1)nc(NC(=O)NC1CCN(CC1)C(=O)NCCc1ccccc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C26H28N10O3/c1-34-16-19-21(32-34)30-24(36-23(19)29-22(33-36)20-8-5-15-39-20)31-25(37)28-18-10-13-35(14-11-18)26(38)27-12-9-17-6-3-2-4-7-17/h2-8,15-16,18H,9-14H2,1H3,(H,27,38)(H2,28,30,31,32,37)
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6.80n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter


J Med Chem 55: 5380-90 (2012)


Article DOI: 10.1021/jm300323t
BindingDB Entry DOI: 10.7270/Q2CN7509
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50389916
PNG
(CHEMBL2071043)
Show SMILES Cn1cc2c(n1)nc(NC(=O)NC1CCN(CC1)C(=O)NC1CCCCCC1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C25H32N10O3/c1-33-15-18-20(31-33)29-23(35-22(18)28-21(32-35)19-9-6-14-38-19)30-24(36)26-17-10-12-34(13-11-17)25(37)27-16-7-4-2-3-5-8-16/h6,9,14-17H,2-5,7-8,10-13H2,1H3,(H,27,37)(H2,26,29,30,31,36)
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7.70n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter


J Med Chem 55: 5380-90 (2012)


Article DOI: 10.1021/jm300323t
BindingDB Entry DOI: 10.7270/Q2CN7509
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50389917
PNG
(CHEMBL2071044)
Show SMILES Cn1cc2c(n1)nc(NC(=O)NC1CCN(CC1)C(=O)NCc1ccccc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C25H26N10O3/c1-33-15-18-20(31-33)29-23(35-22(18)28-21(32-35)19-8-5-13-38-19)30-24(36)27-17-9-11-34(12-10-17)25(37)26-14-16-6-3-2-4-7-16/h2-8,13,15,17H,9-12,14H2,1H3,(H,26,37)(H2,27,29,30,31,36)
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8.10n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter


J Med Chem 55: 5380-90 (2012)


Article DOI: 10.1021/jm300323t
BindingDB Entry DOI: 10.7270/Q2CN7509
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50389914
PNG
(CHEMBL2071041)
Show SMILES Cn1cc2c(n1)nc(NC(=O)NC1CCN(CC1)C(=O)NC1CCCC1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C23H28N10O3/c1-31-13-16-18(29-31)27-21(33-20(16)26-19(30-33)17-7-4-12-36-17)28-22(34)24-15-8-10-32(11-9-15)23(35)25-14-5-2-3-6-14/h4,7,12-15H,2-3,5-6,8-11H2,1H3,(H,25,35)(H2,24,27,28,29,34)
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9.30n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter


J Med Chem 55: 5380-90 (2012)


Article DOI: 10.1021/jm300323t
BindingDB Entry DOI: 10.7270/Q2CN7509
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50389902
PNG
(CHEMBL2070885)
Show SMILES Cn1cc2c(n1)nc(NC(=O)NC1CCN(CC3CCCCC3)CC1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C24H31N9O2/c1-31-15-18-20(29-31)27-23(33-22(18)26-21(30-33)19-8-5-13-35-19)28-24(34)25-17-9-11-32(12-10-17)14-16-6-3-2-4-7-16/h5,8,13,15-17H,2-4,6-7,9-12,14H2,1H3,(H2,25,27,28,29,34)
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9.70n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter


J Med Chem 55: 5380-90 (2012)


Article DOI: 10.1021/jm300323t
BindingDB Entry DOI: 10.7270/Q2CN7509
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50389913
PNG
(CHEMBL2071040)
Show SMILES CC(C)NC(=O)N1CCC(CC1)NC(=O)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C21H26N10O3/c1-12(2)22-21(33)30-8-6-13(7-9-30)23-20(32)26-19-25-16-14(11-29(3)27-16)18-24-17(28-31(18)19)15-5-4-10-34-15/h4-5,10-13H,6-9H2,1-3H3,(H,22,33)(H2,23,25,26,27,32)
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9.80n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter


J Med Chem 55: 5380-90 (2012)


Article DOI: 10.1021/jm300323t
BindingDB Entry DOI: 10.7270/Q2CN7509
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50389895
PNG
(CHEMBL2071049)
Show SMILES COc1ccc(CNC(=O)N2CCC(CC2)NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C26H28N10O4/c1-34-15-19-21(32-34)30-24(36-23(19)29-22(33-36)20-4-3-13-40-20)31-25(37)28-17-9-11-35(12-10-17)26(38)27-14-16-5-7-18(39-2)8-6-16/h3-8,13,15,17H,9-12,14H2,1-2H3,(H,27,38)(H2,28,30,31,32,37)
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10n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter


J Med Chem 55: 5380-90 (2012)


Article DOI: 10.1021/jm300323t
BindingDB Entry DOI: 10.7270/Q2CN7509
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50389909
PNG
(CHEMBL2070892)
Show SMILES Cn1cc2c(n1)nc(NC(=O)NC1CCN(Cc3ccc(cc3)[N+]([O-])=O)CC1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C24H24N10O4/c1-31-14-18-20(29-31)27-23(33-22(18)26-21(30-33)19-3-2-12-38-19)28-24(35)25-16-8-10-32(11-9-16)13-15-4-6-17(7-5-15)34(36)37/h2-7,12,14,16H,8-11,13H2,1H3,(H2,25,27,28,29,35)
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12n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter


J Med Chem 55: 5380-90 (2012)


Article DOI: 10.1021/jm300323t
BindingDB Entry DOI: 10.7270/Q2CN7509
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50389908
PNG
(CHEMBL2070891)
Show SMILES Cn1cc2c(n1)nc(NC(=O)NC1CCN(Cc3ccc(cc3)C#N)CC1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C25H24N10O2/c1-33-15-19-21(31-33)29-24(35-23(19)28-22(32-35)20-3-2-12-37-20)30-25(36)27-18-8-10-34(11-9-18)14-17-6-4-16(13-26)5-7-17/h2-7,12,15,18H,8-11,14H2,1H3,(H2,27,29,30,31,36)
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12n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter


J Med Chem 55: 5380-90 (2012)


Article DOI: 10.1021/jm300323t
BindingDB Entry DOI: 10.7270/Q2CN7509
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50389911
PNG
(CHEMBL2071038)
Show SMILES CCOC(=O)CN1CCC(CC1)NC(=O)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C21H25N9O4/c1-3-33-16(31)12-29-8-6-13(7-9-29)22-21(32)25-20-24-17-14(11-28(2)26-17)19-23-18(27-30(19)20)15-5-4-10-34-15/h4-5,10-11,13H,3,6-9,12H2,1-2H3,(H2,22,24,25,26,32)
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12n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter


J Med Chem 55: 5380-90 (2012)


Article DOI: 10.1021/jm300323t
BindingDB Entry DOI: 10.7270/Q2CN7509
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50389907
PNG
(CHEMBL2070890)
Show SMILES COc1ccc(CN2CCC(CC2)NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C25H27N9O3/c1-32-15-19-21(30-32)28-24(34-23(19)27-22(31-34)20-4-3-13-37-20)29-25(35)26-17-9-11-33(12-10-17)14-16-5-7-18(36-2)8-6-16/h3-8,13,15,17H,9-12,14H2,1-2H3,(H2,26,28,29,30,35)
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13n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter


J Med Chem 55: 5380-90 (2012)


Article DOI: 10.1021/jm300323t
BindingDB Entry DOI: 10.7270/Q2CN7509
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50389906
PNG
(CHEMBL2070889)
Show SMILES Cc1ccc(CN2CCC(CC2)NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C25H27N9O2/c1-16-5-7-17(8-6-16)14-33-11-9-18(10-12-33)26-25(35)29-24-28-21-19(15-32(2)30-21)23-27-22(31-34(23)24)20-4-3-13-36-20/h3-8,13,15,18H,9-12,14H2,1-2H3,(H2,26,28,29,30,35)
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14n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter


J Med Chem 55: 5380-90 (2012)


Article DOI: 10.1021/jm300323t
BindingDB Entry DOI: 10.7270/Q2CN7509
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50389915
PNG
(CHEMBL2071042)
Show SMILES Cn1cc2c(n1)nc(NC(=O)NC1CCN(CC1)C(=O)NC1CCCCC1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C24H30N10O3/c1-32-14-17-19(30-32)28-22(34-21(17)27-20(31-34)18-8-5-13-37-18)29-23(35)25-16-9-11-33(12-10-16)24(36)26-15-6-3-2-4-7-15/h5,8,13-16H,2-4,6-7,9-12H2,1H3,(H,26,36)(H2,25,28,29,30,35)
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14n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter


J Med Chem 55: 5380-90 (2012)


Article DOI: 10.1021/jm300323t
BindingDB Entry DOI: 10.7270/Q2CN7509
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50389919
PNG
(CHEMBL2071045)
Show SMILES Cn1cc2c(n1)nc(NC(=O)NC1CCN(CC1)C(=O)NCCCc1ccccc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C27H30N10O3/c1-35-17-20-22(33-35)31-25(37-24(20)30-23(34-37)21-10-6-16-40-21)32-26(38)29-19-11-14-36(15-12-19)27(39)28-13-5-9-18-7-3-2-4-8-18/h2-4,6-8,10,16-17,19H,5,9,11-15H2,1H3,(H,28,39)(H2,29,31,32,33,38)
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15n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter


J Med Chem 55: 5380-90 (2012)


Article DOI: 10.1021/jm300323t
BindingDB Entry DOI: 10.7270/Q2CN7509
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50389921
PNG
(CHEMBL2071050)
Show SMILES Cn1cc2c(n1)nc(NC(=O)NC1CCN(CC1)C(=O)Nc1ccncc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C23H23N11O3/c1-32-13-16-18(30-32)28-21(34-20(16)27-19(31-34)17-3-2-12-37-17)29-22(35)25-15-6-10-33(11-7-15)23(36)26-14-4-8-24-9-5-14/h2-5,8-9,12-13,15H,6-7,10-11H2,1H3,(H,24,26,36)(H2,25,28,29,30,35)
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21n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter


J Med Chem 55: 5380-90 (2012)


Article DOI: 10.1021/jm300323t
BindingDB Entry DOI: 10.7270/Q2CN7509
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50389904
PNG
(CHEMBL2070887)
Show SMILES Cn1cc2c(n1)nc(NC(=O)NC1CCN(Cc3ccc(F)cc3)CC1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C24H24FN9O2/c1-32-14-18-20(30-32)28-23(34-22(18)27-21(31-34)19-3-2-12-36-19)29-24(35)26-17-8-10-33(11-9-17)13-15-4-6-16(25)7-5-15/h2-7,12,14,17H,8-11,13H2,1H3,(H2,26,28,29,30,35)
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24n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter


J Med Chem 55: 5380-90 (2012)


Article DOI: 10.1021/jm300323t
BindingDB Entry DOI: 10.7270/Q2CN7509
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50389901
PNG
(CHEMBL2070884)
Show SMILES Cn1cc2c(n1)nc(NC(=O)NC1CCN(CC#C)CC1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C20H21N9O2/c1-3-8-28-9-6-13(7-10-28)21-20(30)24-19-23-16-14(12-27(2)25-16)18-22-17(26-29(18)19)15-5-4-11-31-15/h1,4-5,11-13H,6-10H2,2H3,(H2,21,23,24,25,30)
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25n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter


J Med Chem 55: 5380-90 (2012)


Article DOI: 10.1021/jm300323t
BindingDB Entry DOI: 10.7270/Q2CN7509
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50389893
PNG
(CHEMBL2071047)
Show SMILES Cn1cc2c(n1)nc(NC(=O)NC1CCN(CC1)C(=O)NCc1ccc(Cl)cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C25H25ClN10O3/c1-34-14-18-20(32-34)30-23(36-22(18)29-21(33-36)19-3-2-12-39-19)31-24(37)28-17-8-10-35(11-9-17)25(38)27-13-15-4-6-16(26)7-5-15/h2-7,12,14,17H,8-11,13H2,1H3,(H,27,38)(H2,28,30,31,32,37)
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25n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter


J Med Chem 55: 5380-90 (2012)


Article DOI: 10.1021/jm300323t
BindingDB Entry DOI: 10.7270/Q2CN7509
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50389905
PNG
(CHEMBL2070888)
Show SMILES Cn1cc2c(n1)nc(NC(=O)NC1CCN(Cc3ccc(Cl)cc3)CC1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C24H24ClN9O2/c1-32-14-18-20(30-32)28-23(34-22(18)27-21(31-34)19-3-2-12-36-19)29-24(35)26-17-8-10-33(11-9-17)13-15-4-6-16(25)7-5-15/h2-7,12,14,17H,8-11,13H2,1H3,(H2,26,28,29,30,35)
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26n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter


J Med Chem 55: 5380-90 (2012)


Article DOI: 10.1021/jm300323t
BindingDB Entry DOI: 10.7270/Q2CN7509
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50389903
PNG
(CHEMBL2070886)
Show SMILES Cn1cc2c(n1)nc(NC(=O)NC1CCN(Cc3ccccc3)CC1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C24H25N9O2/c1-31-15-18-20(29-31)27-23(33-22(18)26-21(30-33)19-8-5-13-35-19)28-24(34)25-17-9-11-32(12-10-17)14-16-6-3-2-4-7-16/h2-8,13,15,17H,9-12,14H2,1H3,(H2,25,27,28,29,34)
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30n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter


J Med Chem 55: 5380-90 (2012)


Article DOI: 10.1021/jm300323t
BindingDB Entry DOI: 10.7270/Q2CN7509
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50389912
PNG
(CHEMBL2071039)
Show SMILES CCNC(=O)N1CCC(CC1)NC(=O)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H24N10O3/c1-3-21-20(32)29-8-6-12(7-9-29)22-19(31)25-18-24-15-13(11-28(2)26-15)17-23-16(27-30(17)18)14-5-4-10-33-14/h4-5,10-12H,3,6-9H2,1-2H3,(H,21,32)(H2,22,24,25,26,31)
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30n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter


J Med Chem 55: 5380-90 (2012)


Article DOI: 10.1021/jm300323t
BindingDB Entry DOI: 10.7270/Q2CN7509
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50389896
PNG
(CHEMBL2071051)
Show SMILES CN1CCN(CC1)C(=O)N1CCC(CC1)NC(=O)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C23H29N11O3/c1-30-9-11-33(12-10-30)23(36)32-7-5-15(6-8-32)24-22(35)27-21-26-18-16(14-31(2)28-18)20-25-19(29-34(20)21)17-4-3-13-37-17/h3-4,13-15H,5-12H2,1-2H3,(H2,24,26,27,28,35)
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31n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter


J Med Chem 55: 5380-90 (2012)


Article DOI: 10.1021/jm300323t
BindingDB Entry DOI: 10.7270/Q2CN7509
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50389922
PNG
(CHEMBL2070894)
Show SMILES Cn1cc2c(n1)nc(NC(=O)NC1CCN(Cc3ccncc3)CC1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C23H24N10O2/c1-31-14-17-19(29-31)27-22(33-21(17)26-20(30-33)18-3-2-12-35-18)28-23(34)25-16-6-10-32(11-7-16)13-15-4-8-24-9-5-15/h2-5,8-9,12,14,16H,6-7,10-11,13H2,1H3,(H2,25,27,28,29,34)
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39n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter


J Med Chem 55: 5380-90 (2012)


Article DOI: 10.1021/jm300323t
BindingDB Entry DOI: 10.7270/Q2CN7509
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50389910
PNG
(CHEMBL2070893)
Show SMILES Cn1cc2c(n1)nc(NC(=O)NC1CCN(Cc3cccnc3)CC1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C23H24N10O2/c1-31-14-17-19(29-31)27-22(33-21(17)26-20(30-33)18-5-3-11-35-18)28-23(34)25-16-6-9-32(10-7-16)13-15-4-2-8-24-12-15/h2-5,8,11-12,14,16H,6-7,9-10,13H2,1H3,(H2,25,27,28,29,34)
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44n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter


J Med Chem 55: 5380-90 (2012)


Article DOI: 10.1021/jm300323t
BindingDB Entry DOI: 10.7270/Q2CN7509
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50389900
PNG
(CHEMBL2070883)
Show SMILES Cn1cc2c(n1)nc(NC(=O)NC1CCN(CC=C)CC1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C20H23N9O2/c1-3-8-28-9-6-13(7-10-28)21-20(30)24-19-23-16-14(12-27(2)25-16)18-22-17(26-29(18)19)15-5-4-11-31-15/h3-5,11-13H,1,6-10H2,2H3,(H2,21,23,24,25,30)
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51n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter


J Med Chem 55: 5380-90 (2012)


Article DOI: 10.1021/jm300323t
BindingDB Entry DOI: 10.7270/Q2CN7509
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50389897
PNG
(CHEMBL2070880)
Show SMILES Cn1cc2c(n1)nc(NC(=O)NC1CCNCC1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C17H19N9O2/c1-25-9-11-13(23-25)21-16(22-17(27)19-10-4-6-18-7-5-10)26-15(11)20-14(24-26)12-3-2-8-28-12/h2-3,8-10,18H,4-7H2,1H3,(H2,19,21,22,23,27)
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65n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter


J Med Chem 55: 5380-90 (2012)


Article DOI: 10.1021/jm300323t
BindingDB Entry DOI: 10.7270/Q2CN7509
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50389899
PNG
(CHEMBL2070882)
Show SMILES CCCN1CCC(CC1)NC(=O)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H25N9O2/c1-3-8-28-9-6-13(7-10-28)21-20(30)24-19-23-16-14(12-27(2)25-16)18-22-17(26-29(18)19)15-5-4-11-31-15/h4-5,11-13H,3,6-10H2,1-2H3,(H2,21,23,24,25,30)
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71n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter


J Med Chem 55: 5380-90 (2012)


Article DOI: 10.1021/jm300323t
BindingDB Entry DOI: 10.7270/Q2CN7509
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50117108
PNG
(4-[3-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1cc[nH+]cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C17H13N9O2/c1-25-9-11-13(23-25)21-16(22-17(27)19-10-4-6-18-7-5-10)26-15(11)20-14(24-26)12-3-2-8-28-12/h2-9H,1H3,(H2,18,19,21,22,23,27)/p+1
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100n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by scintillation counter


J Med Chem 55: 5380-90 (2012)


Article DOI: 10.1021/jm300323t
BindingDB Entry DOI: 10.7270/Q2CN7509
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50389919
PNG
(CHEMBL2071045)
Show SMILES Cn1cc2c(n1)nc(NC(=O)NC1CCN(CC1)C(=O)NCCCc1ccccc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C27H30N10O3/c1-35-17-20-22(33-35)31-25(37-24(20)30-23(34-37)21-10-6-16-40-21)32-26(38)29-19-11-14-36(15-12-19)27(39)28-13-5-9-18-7-3-2-4-8-18/h2-4,6-8,10,16-17,19H,5,9,11-15H2,1H3,(H,28,39)(H2,29,31,32,33,38)
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112n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by scintillation counter


J Med Chem 55: 5380-90 (2012)


Article DOI: 10.1021/jm300323t
BindingDB Entry DOI: 10.7270/Q2CN7509
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM85618
PNG
(CHEMBL302765 | J1.251.181G | MRE 3008F20)
Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30)
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141n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by scintillation counter


J Med Chem 55: 5380-90 (2012)


Article DOI: 10.1021/jm300323t
BindingDB Entry DOI: 10.7270/Q2CN7509
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50389908
PNG
(CHEMBL2070891)
Show SMILES Cn1cc2c(n1)nc(NC(=O)NC1CCN(Cc3ccc(cc3)C#N)CC1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C25H24N10O2/c1-33-15-19-21(31-33)29-24(35-23(19)28-22(32-35)20-3-2-12-37-20)30-25(36)27-18-8-10-34(11-9-18)14-17-6-4-16(13-26)5-7-17/h2-7,12,15,18H,8-11,14H2,1H3,(H2,27,29,30,31,36)
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166n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by scintillation counter


J Med Chem 55: 5380-90 (2012)


Article DOI: 10.1021/jm300323t
BindingDB Entry DOI: 10.7270/Q2CN7509
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50389918
PNG
(CHEMBL2069325)
Show SMILES Cn1cc2c(n1)nc(NC(=O)NC1CCN(CC1)C(=O)NCCc1ccccc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C26H28N10O3/c1-34-16-19-21(32-34)30-24(36-23(19)29-22(33-36)20-8-5-15-39-20)31-25(37)28-18-10-13-35(14-11-18)26(38)27-12-9-17-6-3-2-4-7-17/h2-8,15-16,18H,9-14H2,1H3,(H,27,38)(H2,28,30,31,32,37)
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182n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by scintillation counter


J Med Chem 55: 5380-90 (2012)


Article DOI: 10.1021/jm300323t
BindingDB Entry DOI: 10.7270/Q2CN7509
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50117108
PNG
(4-[3-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1cc[nH+]cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C17H13N9O2/c1-25-9-11-13(23-25)21-16(22-17(27)19-10-4-6-18-7-5-10)26-15(11)20-14(24-26)12-3-2-8-28-12/h2-9H,1H3,(H2,18,19,21,22,23,27)/p+1
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250n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


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


J Med Chem 55: 5380-90 (2012)


Article DOI: 10.1021/jm300323t
BindingDB Entry DOI: 10.7270/Q2CN7509
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50389898
PNG
(CHEMBL2070881)
Show SMILES CN1CCC(CC1)NC(=O)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H21N9O2/c1-25-7-5-11(6-8-25)19-18(28)22-17-21-14-12(10-26(2)23-14)16-20-15(24-27(16)17)13-4-3-9-29-13/h3-4,9-11H,5-8H2,1-2H3,(H2,19,21,22,23,28)
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253n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter


J Med Chem 55: 5380-90 (2012)


Article DOI: 10.1021/jm300323t
BindingDB Entry DOI: 10.7270/Q2CN7509
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50389911
PNG
(CHEMBL2071038)
Show SMILES CCOC(=O)CN1CCC(CC1)NC(=O)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C21H25N9O4/c1-3-33-16(31)12-29-8-6-13(7-9-29)22-21(32)25-20-24-17-14(11-28(2)26-17)19-23-18(27-30(19)20)15-5-4-10-34-15/h4-5,10-11,13H,3,6-9,12H2,1-2H3,(H2,22,24,25,26,32)
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348n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by scintillation counter


J Med Chem 55: 5380-90 (2012)


Article DOI: 10.1021/jm300323t
BindingDB Entry DOI: 10.7270/Q2CN7509
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50117108
PNG
(4-[3-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1cc[nH+]cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C17H13N9O2/c1-25-9-11-13(23-25)21-16(22-17(27)19-10-4-6-18-7-5-10)26-15(11)20-14(24-26)12-3-2-8-28-12/h2-9H,1H3,(H2,18,19,21,22,23,27)/p+1
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350n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by scintillation counter


J Med Chem 55: 5380-90 (2012)


Article DOI: 10.1021/jm300323t
BindingDB Entry DOI: 10.7270/Q2CN7509
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50389909
PNG
(CHEMBL2070892)
Show SMILES Cn1cc2c(n1)nc(NC(=O)NC1CCN(Cc3ccc(cc3)[N+]([O-])=O)CC1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C24H24N10O4/c1-31-14-18-20(29-31)27-23(33-22(18)26-21(30-33)19-3-2-12-38-19)28-24(35)25-16-8-10-32(11-9-16)13-15-4-6-17(7-5-15)34(36)37/h2-7,12,14,16H,8-11,13H2,1H3,(H2,25,27,28,29,35)
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371n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by scintillation counter


J Med Chem 55: 5380-90 (2012)


Article DOI: 10.1021/jm300323t
BindingDB Entry DOI: 10.7270/Q2CN7509
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50389894
PNG
(CHEMBL2071048)
Show SMILES Cc1ccc(CNC(=O)N2CCC(CC2)NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C26H28N10O3/c1-16-5-7-17(8-6-16)14-27-26(38)35-11-9-18(10-12-35)28-25(37)31-24-30-21-19(15-34(2)32-21)23-29-22(33-36(23)24)20-4-3-13-39-20/h3-8,13,15,18H,9-12,14H2,1-2H3,(H,27,38)(H2,28,30,31,32,37)
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396n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by scintillation counter


J Med Chem 55: 5380-90 (2012)


Article DOI: 10.1021/jm300323t
BindingDB Entry DOI: 10.7270/Q2CN7509
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50389920
PNG
(CHEMBL2071046)
Show SMILES Cn1cc2c(n1)nc(NC(=O)NC1CCN(CC1)C(=O)NCc1ccc(F)cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C25H25FN10O3/c1-34-14-18-20(32-34)30-23(36-22(18)29-21(33-36)19-3-2-12-39-19)31-24(37)28-17-8-10-35(11-9-17)25(38)27-13-15-4-6-16(26)7-5-15/h2-7,12,14,17H,8-11,13H2,1H3,(H,27,38)(H2,28,30,31,32,37)
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408n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by scintillation counter


J Med Chem 55: 5380-90 (2012)


Article DOI: 10.1021/jm300323t
BindingDB Entry DOI: 10.7270/Q2CN7509
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50389917
PNG
(CHEMBL2071044)
Show SMILES Cn1cc2c(n1)nc(NC(=O)NC1CCN(CC1)C(=O)NCc1ccccc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C25H26N10O3/c1-33-15-18-20(31-33)29-23(35-22(18)28-21(32-35)19-8-5-13-38-19)30-24(36)27-17-9-11-34(12-10-17)25(37)26-14-16-6-3-2-4-7-16/h2-8,13,15,17H,9-12,14H2,1H3,(H,26,37)(H2,27,29,30,31,36)
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525n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by scintillation counter


J Med Chem 55: 5380-90 (2012)


Article DOI: 10.1021/jm300323t
BindingDB Entry DOI: 10.7270/Q2CN7509
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50389903
PNG
(CHEMBL2070886)
Show SMILES Cn1cc2c(n1)nc(NC(=O)NC1CCN(Cc3ccccc3)CC1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C24H25N9O2/c1-31-15-18-20(29-31)27-23(33-22(18)26-21(30-33)19-8-5-13-35-19)28-24(34)25-17-9-11-32(12-10-17)14-16-6-3-2-4-7-16/h2-8,13,15,17H,9-12,14H2,1H3,(H2,25,27,28,29,34)
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526n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by scintillation counter


J Med Chem 55: 5380-90 (2012)


Article DOI: 10.1021/jm300323t
BindingDB Entry DOI: 10.7270/Q2CN7509
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50389893
PNG
(CHEMBL2071047)
Show SMILES Cn1cc2c(n1)nc(NC(=O)NC1CCN(CC1)C(=O)NCc1ccc(Cl)cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C25H25ClN10O3/c1-34-14-18-20(32-34)30-23(36-22(18)29-21(33-36)19-3-2-12-39-19)31-24(37)28-17-8-10-35(11-9-17)25(38)27-13-15-4-6-16(26)7-5-15/h2-7,12,14,17H,8-11,13H2,1H3,(H,27,38)(H2,28,30,31,32,37)
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614n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by scintillation counter


J Med Chem 55: 5380-90 (2012)


Article DOI: 10.1021/jm300323t
BindingDB Entry DOI: 10.7270/Q2CN7509
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50389895
PNG
(CHEMBL2071049)
Show SMILES COc1ccc(CNC(=O)N2CCC(CC2)NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C26H28N10O4/c1-34-15-19-21(32-34)30-24(36-23(19)29-22(33-36)20-4-3-13-40-20)31-25(37)28-17-9-11-35(12-10-17)26(38)27-14-16-5-7-18(39-2)8-6-16/h3-8,13,15,17H,9-12,14H2,1-2H3,(H,27,38)(H2,28,30,31,32,37)
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635n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by scintillation counter


J Med Chem 55: 5380-90 (2012)


Article DOI: 10.1021/jm300323t
BindingDB Entry DOI: 10.7270/Q2CN7509
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50389903
PNG
(CHEMBL2070886)
Show SMILES Cn1cc2c(n1)nc(NC(=O)NC1CCN(Cc3ccccc3)CC1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C24H25N9O2/c1-31-15-18-20(29-31)27-23(33-22(18)26-21(30-33)19-8-5-13-35-19)28-24(34)25-17-9-11-32(12-10-17)14-16-6-3-2-4-7-16/h2-8,13,15,17H,9-12,14H2,1H3,(H2,25,27,28,29,34)
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703n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by scintillation counter


J Med Chem 55: 5380-90 (2012)


Article DOI: 10.1021/jm300323t
BindingDB Entry DOI: 10.7270/Q2CN7509
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50389905
PNG
(CHEMBL2070888)
Show SMILES Cn1cc2c(n1)nc(NC(=O)NC1CCN(Cc3ccc(Cl)cc3)CC1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C24H24ClN9O2/c1-32-14-18-20(30-32)28-23(34-22(18)27-21(31-34)19-3-2-12-36-19)29-24(35)26-17-8-10-33(11-9-17)13-15-4-6-16(25)7-5-15/h2-7,12,14,17H,8-11,13H2,1H3,(H2,26,28,29,30,35)
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724n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by scintillation counter


J Med Chem 55: 5380-90 (2012)


Article DOI: 10.1021/jm300323t
BindingDB Entry DOI: 10.7270/Q2CN7509
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50389914
PNG
(CHEMBL2071041)
Show SMILES Cn1cc2c(n1)nc(NC(=O)NC1CCN(CC1)C(=O)NC1CCCC1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C23H28N10O3/c1-31-13-16-18(29-31)27-21(33-20(16)26-19(30-33)17-7-4-12-36-17)28-22(34)24-15-8-10-32(11-9-15)23(35)25-14-5-2-3-6-14/h4,7,12-15H,2-3,5-6,8-11H2,1H3,(H,25,35)(H2,24,27,28,29,34)
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744n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by scintillation counter


J Med Chem 55: 5380-90 (2012)


Article DOI: 10.1021/jm300323t
BindingDB Entry DOI: 10.7270/Q2CN7509
More data for this
Ligand-Target Pair
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