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PubMed code 11754583

Compile data set for download or QSAR
Found 112 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50108043
PNG
(2,2'-(4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3...)
Show SMILES Nc1nc2n(CCc3ccc(cc3)N(CCO)CCO)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C22H24N8O3/c23-22-26-20-17(21-25-19(27-30(21)22)18-2-1-13-33-18)14-24-29(20)8-7-15-3-5-16(6-4-15)28(9-11-31)10-12-32/h1-6,13-14,31-32H,7-12H2,(H2,23,26)
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PubMed
0.120n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-SCH- 58261 binding at human Adenosine A2A receptor expressed in HEK-293 cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50108020
PNG
(7-(3-(4-(aminomethyl)phenyl)propyl)-2-(furan-2-yl)...)
Show SMILES NCc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Show InChI InChI=1S/C20H20N8O/c21-11-14-7-5-13(6-8-14)3-1-9-27-18-15(12-23-27)19-24-17(16-4-2-10-29-16)26-28(19)20(22)25-18/h2,4-8,10,12H,1,3,9,11,21H2,(H2,22,25)
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0.130n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-SCH- 58261 binding at human Adenosine A2A receptor expressed in HEK-293 cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50108019
PNG
((5-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1...)
Show SMILES Nc1nc2n(CCCc3ccc4OC(CO)(CO)Oc4c3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C22H21N7O5/c23-21-26-19-14(20-25-18(27-29(20)21)16-4-2-8-32-16)10-24-28(19)7-1-3-13-5-6-15-17(9-13)34-22(11-30,12-31)33-15/h2,4-6,8-10,30-31H,1,3,7,11-12H2,(H2,23,26)
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0.190n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH- 58261 binding at human Adenosine A2A receptor expressed in HEK-293 cells; ranges from 0.16-0.21


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50108018
PNG
(7-(3-(4-aminophenyl)propyl)-2-(furan-2-yl)-7H-pyra...)
Show SMILES Nc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Show InChI InChI=1S/C19H18N8O/c20-13-7-5-12(6-8-13)3-1-9-26-17-14(11-22-26)18-23-16(15-4-2-10-28-15)25-27(18)19(21)24-17/h2,4-8,10-11H,1,3,9,20H2,(H2,21,24)
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0.220n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-SCH- 58261 binding at human Adenosine A2A receptor expressed in HEK-293 cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50108035
PNG
(CHEMBL22200 | {4-[2-(5-Amino-2-furan-2-yl-pyrazolo...)
Show SMILES CCOC(=O)COc1ccc(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Show InChI InChI=1S/C22H21N7O4/c1-2-31-18(30)13-33-15-7-5-14(6-8-15)9-10-28-20-16(12-24-28)21-25-19(17-4-3-11-32-17)27-29(21)22(23)26-20/h3-8,11-12H,2,9-10,13H2,1H3,(H2,23,26)
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0.430n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-SCH- 58261 binding at human Adenosine A2A receptor expressed in HEK-293 cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50108027
PNG
(4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...)
Show SMILES Nc1nc2n(CCc3ccc(cc3)S(=O)(=O)N(CCCl)CCCl)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C22H22Cl2N8O3S/c23-8-11-30(12-9-24)36(33,34)16-5-3-15(4-6-16)7-10-31-20-17(14-26-31)21-27-19(18-2-1-13-35-18)29-32(21)22(25)28-20/h1-6,13-14H,7-12H2,(H2,25,28)
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0.590n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-SCH- 58261 binding at human Adenosine A2A receptor expressed in HEK-293 cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50108022
PNG
(4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...)
Show SMILES Nc1nc2n(CCc3ccc(cc3)S(=O)(=O)N(CCO)CCO)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C22H24N8O5S/c23-22-26-20-17(21-25-19(27-30(21)22)18-2-1-13-35-18)14-24-29(20)8-7-15-3-5-16(6-4-15)36(33,34)28(9-11-31)10-12-32/h1-6,13-14,31-32H,7-12H2,(H2,23,26)
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0.800n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH- 58261 binding at human Adenosine A2A receptor expressed in HEK-293 cells; ranges from 0.69-0.92


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50108040
PNG
(2-(furan-2-yl)-7-(3-(4-nitrophenyl)propyl)-7H-pyra...)
Show SMILES Nc1nc2n(CCCc3ccc(cc3)[N+]([O-])=O)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C19H16N8O3/c20-19-23-17-14(18-22-16(24-26(18)19)15-4-2-10-30-15)11-21-25(17)9-1-3-12-5-7-13(8-6-12)27(28)29/h2,4-8,10-11H,1,3,9H2,(H2,20,23)
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1n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-SCH- 58261 binding at human Adenosine A2A receptor expressed in HEK-293 cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50108030
PNG
(2,2'-(4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3...)
Show SMILES Nc1nc2n(CCCc3ccc(cc3)N(CCO)CCO)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C23H26N8O3/c24-23-27-21-18(22-26-20(28-31(22)23)19-4-2-14-34-19)15-25-30(21)9-1-3-16-5-7-17(8-6-16)29(10-12-32)11-13-33/h2,4-8,14-15,32-33H,1,3,9-13H2,(H2,24,27)
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1.10n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-SCH- 58261 binding at human Adenosine A2A receptor expressed in HEK-293 cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50048466
PNG
(2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,...)
Show SMILES Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22)
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1.10n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-SCH- 58261 binding at human Adenosine A2A receptor expressed in HEK-293 cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50051241
PNG
(2-(furan-2-yl)-7-(3-phenylpropyl)-7H-pyrazolo[4,3-...)
Show SMILES Nc1nc2n(CCCc3ccccc3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C19H17N7O/c20-19-23-17-14(18-22-16(24-26(18)19)15-9-5-11-27-15)12-21-25(17)10-4-8-13-6-2-1-3-7-13/h1-3,5-7,9,11-12H,4,8,10H2,(H2,20,23)
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1.20n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-SCH- 58261 binding at human Adenosine A2A receptor expressed in HEK-293 cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50108029
PNG
(4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...)
Show SMILES Nc1nc2n(CCc3ccc(cc3)S(N)(=O)=O)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H16N8O3S/c19-18-23-16-13(17-22-15(24-26(17)18)14-2-1-9-29-14)10-21-25(16)8-7-11-3-5-12(6-4-11)30(20,27)28/h1-6,9-10H,7-8H2,(H2,19,23)(H2,20,27,28)
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1.31n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-SCH- 58261 binding at human Adenosine A2A receptor expressed in HEK-293 cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50108038
PNG
(2-(furan-2-yl)-7-(4-(4-methylpiperazin-1-ylsulfony...)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Show InChI InChI=1S/C23H25N9O3S/c1-29-10-12-30(13-11-29)36(33,34)17-6-4-16(5-7-17)8-9-31-21-18(15-25-31)22-26-20(19-3-2-14-35-19)28-32(22)23(24)27-21/h2-7,14-15H,8-13H2,1H3,(H2,24,27)
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3.80n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH- 58261 binding at human Adenosine A2A receptor expressed in HEK-293 cells; ranges from 3.4-4.2


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50108041
PNG
(4-[3-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]t...)
Show SMILES CCOC(=O)c1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Show InChI InChI=1S/C22H21N7O3/c1-2-31-21(30)15-9-7-14(8-10-15)5-3-11-28-19-16(13-24-28)20-25-18(17-6-4-12-32-17)27-29(20)22(23)26-19/h4,6-10,12-13H,2-3,5,11H2,1H3,(H2,23,26)
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4n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-SCH- 58261 binding at human Adenosine A2A receptor expressed in HEK-293 cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50108023
PNG
(4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...)
Show SMILES NC(=N)c1ccc(CCCn2ncc3c4nc(nn4c(N)nc23)-c2ccco2)cc1
Show InChI InChI=1S/C20H19N9O/c21-16(22)13-7-5-12(6-8-13)3-1-9-28-18-14(11-24-28)19-25-17(15-4-2-10-30-15)27-29(19)20(23)26-18/h2,4-8,10-11H,1,3,9H2,(H3,21,22)(H2,23,26)
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4.40n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-SCH- 58261 binding at human Adenosine A2A receptor expressed in HEK-293 cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50108021
PNG
(4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...)
Show SMILES Nc1nc2n(CCCc3ccc(cc3)C(O)=O)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H17N7O3/c21-20-24-17-14(18-23-16(25-27(18)20)15-4-2-10-30-15)11-22-26(17)9-1-3-12-5-7-13(8-6-12)19(28)29/h2,4-8,10-11H,1,3,9H2,(H2,21,24)(H,28,29)
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4.63n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-SCH- 58261 binding at human Adenosine A2A receptor expressed in HEK-293 cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50108036
PNG
(CHEMBL22500 | N-(4-(2-(5-amino-2-(furan-2-yl)-7H-p...)
Show SMILES CC(=O)Nc1ccc(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Show InChI InChI=1S/C20H18N8O2/c1-12(29)23-14-6-4-13(5-7-14)8-9-27-18-15(11-22-27)19-24-17(16-3-2-10-30-16)26-28(19)20(21)25-18/h2-7,10-11H,8-9H2,1H3,(H2,21,25)(H,23,29)
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4.80n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-SCH- 58261 binding at human Adenosine A2A receptor expressed in HEK-293 cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50108034
PNG
(5-[3-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]t...)
Show SMILES CCOC(=O)[C@@H]1Oc2ccc(CCCn3ncc4c5nc(nn5c(N)nc34)-c3ccco3)cc2O1
Show InChI InChI=1S/C23H21N7O5/c1-2-32-21(31)22-34-15-8-7-13(11-17(15)35-22)5-3-9-29-19-14(12-25-29)20-26-18(16-6-4-10-33-16)28-30(20)23(24)27-19/h4,6-8,10-12,22H,2-3,5,9H2,1H3,(H2,24,27)/t22-/m1/s1
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5.48n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH- 58261 from human Adenosine A2A receptor expressed in HEK-293 cells; ranges from 4.95-6.08


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50108037
PNG
(4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...)
Show SMILES Nc1nc2n(CCCc3ccc(cc3)C(=N)NO)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H19N9O2/c21-16(27-30)13-7-5-12(6-8-13)3-1-9-28-18-14(11-23-28)19-24-17(15-4-2-10-31-15)26-29(19)20(22)25-18/h2,4-8,10-11,30H,1,3,9H2,(H2,21,27)(H2,22,25)
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6n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-SCH- 58261 binding at human Adenosine A2A receptor expressed in HEK-293 cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50108031
PNG
(2-(4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e]...)
Show SMILES Nc1nc2n(CCc3ccc(cc3)S(=O)(=O)NCC(O)=O)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H18N8O5S/c21-20-25-18-14(19-24-17(26-28(19)20)15-2-1-9-33-15)10-22-27(18)8-7-12-3-5-13(6-4-12)34(31,32)23-11-16(29)30/h1-6,9-10,23H,7-8,11H2,(H2,21,25)(H,29,30)
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50n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH- 58261 binding at human Adenosine A2A receptor expressed in HEK-293 cells; ranges from 48.9-52.4


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50108042
PNG
(7-(4-aminophenethyl)-2-(furan-2-yl)-7H-pyrazolo[4,...)
Show SMILES Nc1ccc(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Show InChI InChI=1S/C18H16N8O/c19-12-5-3-11(4-6-12)7-8-25-16-13(10-21-25)17-22-15(14-2-1-9-27-14)24-26(17)18(20)23-16/h1-6,9-10H,7-8,19H2,(H2,20,23)
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55n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-SCH- 58261 binding at human Adenosine A2A receptor expressed in HEK-293 cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50108026
PNG
(5-[3-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]t...)
Show SMILES Nc1nc2n(CCCc3ccc4O[C@H](Oc4c3)C(O)=O)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C21H17N7O5/c22-21-25-17-12(18-24-16(26-28(18)21)14-4-2-8-31-14)10-23-27(17)7-1-3-11-5-6-13-15(9-11)33-20(32-13)19(29)30/h2,4-6,8-10,20H,1,3,7H2,(H2,22,25)(H,29,30)/t20-/m1/s1
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59n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH- 58261 binding at human Adenosine A2A receptor expressed in HEK-293 cells; ranges from 49-72


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50108037
PNG
(4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...)
Show SMILES Nc1nc2n(CCCc3ccc(cc3)C(=N)NO)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H19N9O2/c21-16(27-30)13-7-5-12(6-8-13)3-1-9-28-18-14(11-23-28)19-24-17(15-4-2-10-31-15)26-29(19)20(22)25-18/h2,4-8,10-11,30H,1,3,9H2,(H2,21,27)(H2,22,25)
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60n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-DPCPX binding at human Adenosine A1 receptor expressed in CHO cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50108042
PNG
(7-(4-aminophenethyl)-2-(furan-2-yl)-7H-pyrazolo[4,...)
Show SMILES Nc1ccc(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Show InChI InChI=1S/C18H16N8O/c19-12-5-3-11(4-6-12)7-8-25-16-13(10-21-25)17-22-15(14-2-1-9-27-14)24-26(17)18(20)23-16/h1-6,9-10H,7-8,19H2,(H2,20,23)
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75n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-DPCPX binding at human Adenosine A1 receptor expressed in CHO cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50108028
PNG
(6-[3-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]t...)
Show SMILES Nc1nc2n(CCCc3cc4OCOc4cc3S(O)(=O)=O)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H17N7O6S/c21-20-24-18-12(19-23-17(25-27(19)20)13-4-2-6-31-13)9-22-26(18)5-1-3-11-7-14-15(33-10-32-14)8-16(11)34(28,29)30/h2,4,6-9H,1,3,5,10H2,(H2,21,24)(H,28,29,30)
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75n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH- 58261 binding at human Adenosine A2A receptor expressed in HEK-293 cells; ranges from 66-85


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50108033
PNG
(4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...)
Show SMILES Nc1nc2n(CCCc3ccc(cc3)C#N)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H16N8O/c21-11-14-7-5-13(6-8-14)3-1-9-27-18-15(12-23-27)19-24-17(16-4-2-10-29-16)26-28(19)20(22)25-18/h2,4-8,10,12H,1,3,9H2,(H2,22,25)
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86n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-SCH- 58261 binding at human Adenosine A2A receptor expressed in HEK-293 cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50108024
PNG
(4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...)
Show SMILES Nc1nc2n(CCc3ccc(cc3)S(O)(=O)=O)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H15N7O4S/c19-18-22-16-13(17-21-15(23-25(17)18)14-2-1-9-29-14)10-20-24(16)8-7-11-3-5-12(6-4-11)30(26,27)28/h1-6,9-10H,7-8H2,(H2,19,22)(H,26,27,28)
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100n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-SCH- 58261 binding at human Adenosine A2A receptor expressed in HEK-293 cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50108032
PNG
(CHEMBL281626 | disodium 5-[3-(5-Amino-2-furan-2-yl...)
Show SMILES Nc1nc2n(CCCc3ccc4OC(Oc4c3)(C([O-])=O)C([O-])=O)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C22H17N7O7/c23-21-26-17-12(18-25-16(27-29(18)21)14-4-2-8-34-14)10-24-28(17)7-1-3-11-5-6-13-15(9-11)36-22(35-13,19(30)31)20(32)33/h2,4-6,8-10H,1,3,7H2,(H2,23,26)(H,30,31)(H,32,33)/p-2
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120n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH- 58261 binding at human Adenosine A2A receptor expressed in HEK-293 cells; ranges from 98-144


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50108025
PNG
(5-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...)
Show SMILES Nc1nc2n(CCCc3ccc4OC(Oc4c3)(C(O)=O)C(O)=O)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C22H17N7O7/c23-21-26-17-12(18-25-16(27-29(18)21)14-4-2-8-34-14)10-24-28(17)7-1-3-11-5-6-13-15(9-11)36-22(35-13,19(30)31)20(32)33/h2,4-6,8-10H,1,3,7H2,(H2,23,26)(H,30,31)(H,32,33)
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120n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH- 58261 binding at human Adenosine A2A receptor expressed in HEK-293 cells; ranges from 98-144


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50108043
PNG
(2,2'-(4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3...)
Show SMILES Nc1nc2n(CCc3ccc(cc3)N(CCO)CCO)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C22H24N8O3/c23-22-26-20-17(21-25-19(27-30(21)22)18-2-1-13-33-18)14-24-29(20)8-7-15-3-5-16(6-4-15)28(9-11-31)10-12-32/h1-6,13-14,31-32H,7-12H2,(H2,23,26)
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123n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-DPCPX binding at human Adenosine A1 receptor expressed in CHO cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50108039
PNG
(4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...)
Show SMILES Nc1nc2n(CCCc3ccc(cc3)S(O)(=O)=O)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C19H17N7O4S/c20-19-23-17-14(18-22-16(24-26(18)19)15-4-2-10-30-15)11-21-25(17)9-1-3-12-5-7-13(8-6-12)31(27,28)29/h2,4-8,10-11H,1,3,9H2,(H2,20,23)(H,27,28,29)
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139n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human Adenosine A1 receptor expressed in CHO cells; ranges from 107-181


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50108039
PNG
(4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...)
Show SMILES Nc1nc2n(CCCc3ccc(cc3)S(O)(=O)=O)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C19H17N7O4S/c20-19-23-17-14(18-22-16(24-26(18)19)15-4-2-10-30-15)11-21-25(17)9-1-3-12-5-7-13(8-6-12)31(27,28)29/h2,4-8,10-11H,1,3,9H2,(H2,20,23)(H,27,28,29)
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140n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH- 58261 binding at human Adenosine A2A receptor expressed in HEK-293 cells; ranges from 129-152


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50108024
PNG
(4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...)
Show SMILES Nc1nc2n(CCc3ccc(cc3)S(O)(=O)=O)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H15N7O4S/c19-18-22-16-13(17-21-15(23-25(17)18)14-2-1-9-29-14)10-20-24(16)8-7-11-3-5-12(6-4-11)30(26,27)28/h1-6,9-10H,7-8H2,(H2,19,22)(H,26,27,28)
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190n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-DPCPX binding at human Adenosine A1 receptor expressed in CHO cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50051241
PNG
(2-(furan-2-yl)-7-(3-phenylpropyl)-7H-pyrazolo[4,3-...)
Show SMILES Nc1nc2n(CCCc3ccccc3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C19H17N7O/c20-19-23-17-14(18-22-16(24-26(18)19)15-9-5-11-27-15)12-21-25(17)10-4-8-13-6-2-1-3-7-13/h1-3,5-7,9,11-12H,4,8,10H2,(H2,20,23)
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350n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-DPCPX binding at human Adenosine A1 receptor expressed in CHO cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50108038
PNG
(2-(furan-2-yl)-7-(4-(4-methylpiperazin-1-ylsulfony...)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Show InChI InChI=1S/C23H25N9O3S/c1-29-10-12-30(13-11-29)36(33,34)17-6-4-16(5-7-17)8-9-31-21-18(15-25-31)22-26-20(19-3-2-14-35-19)28-32(22)23(24)27-21/h2-7,14-15H,8-13H2,1H3,(H2,24,27)
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369n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human Adenosine A1 receptor expressed in CHO cells; ranges from 324-420


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50108036
PNG
(CHEMBL22500 | N-(4-(2-(5-amino-2-(furan-2-yl)-7H-p...)
Show SMILES CC(=O)Nc1ccc(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Show InChI InChI=1S/C20H18N8O2/c1-12(29)23-14-6-4-13(5-7-14)8-9-27-18-15(11-22-27)19-24-17(16-3-2-10-30-16)26-28(19)20(21)25-18/h2-7,10-11H,8-9H2,1H3,(H2,21,25)(H,23,29)
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419n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-DPCPX binding at human Adenosine A1 receptor expressed in CHO cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50108019
PNG
((5-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1...)
Show SMILES Nc1nc2n(CCCc3ccc4OC(CO)(CO)Oc4c3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C22H21N7O5/c23-21-26-19-14(20-25-18(27-29(20)21)16-4-2-8-32-16)10-24-28(19)7-1-3-13-5-6-15-17(9-13)34-22(11-30,12-31)33-15/h2,4-6,8-10,30-31H,1,3,7,11-12H2,(H2,23,26)
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432n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX binding at human Adenosine A1 receptor expressed in CHO cells; ranges from 363-514


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50048466
PNG
(2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,...)
Show SMILES Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22)
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549n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-DPCPX binding at human Adenosine A1 receptor expressed in CHO cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50108030
PNG
(2,2'-(4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3...)
Show SMILES Nc1nc2n(CCCc3ccc(cc3)N(CCO)CCO)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C23H26N8O3/c24-23-27-21-18(22-26-20(28-31(22)23)19-4-2-14-34-19)15-25-30(21)9-1-3-16-5-7-17(8-6-16)29(10-12-32)11-13-33/h2,4-8,14-15,32-33H,1,3,9-13H2,(H2,24,27)
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558n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-DPCPX binding at human Adenosine A1 receptor expressed in CHO cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50108020
PNG
(7-(3-(4-(aminomethyl)phenyl)propyl)-2-(furan-2-yl)...)
Show SMILES NCc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Show InChI InChI=1S/C20H20N8O/c21-11-14-7-5-13(6-8-14)3-1-9-27-18-15(12-23-27)19-24-17(16-4-2-10-29-16)26-28(19)20(22)25-18/h2,4-8,10,12H,1,3,9,11,21H2,(H2,22,25)
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576n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-DPCPX binding at human Adenosine A1 receptor expressed in CHO cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50108040
PNG
(2-(furan-2-yl)-7-(3-(4-nitrophenyl)propyl)-7H-pyra...)
Show SMILES Nc1nc2n(CCCc3ccc(cc3)[N+]([O-])=O)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C19H16N8O3/c20-19-23-17-14(18-22-16(24-26(18)19)15-4-2-10-30-15)11-21-25(17)9-1-3-12-5-7-13(8-6-12)27(28)29/h2,4-8,10-11H,1,3,9H2,(H2,20,23)
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1.03E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-DPCPX binding at human Adenosine A1 receptor expressed in CHO cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50108034
PNG
(5-[3-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]t...)
Show SMILES CCOC(=O)[C@@H]1Oc2ccc(CCCn3ncc4c5nc(nn5c(N)nc34)-c3ccco3)cc2O1
Show InChI InChI=1S/C23H21N7O5/c1-2-32-21(31)22-34-15-8-7-13(11-17(15)35-22)5-3-9-29-19-14(12-25-29)20-26-18(16-6-4-10-33-16)28-30(20)23(24)27-19/h4,6-8,10-12,22H,2-3,5,9H2,1H3,(H2,24,27)/t22-/m1/s1
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1.79E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human Adenosine A1 receptor expressed in CHO cells; ranges from 1460-2201


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50108018
PNG
(7-(3-(4-aminophenyl)propyl)-2-(furan-2-yl)-7H-pyra...)
Show SMILES Nc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Show InChI InChI=1S/C19H18N8O/c20-13-7-5-12(6-8-13)3-1-9-26-17-14(11-22-26)18-23-16(15-4-2-10-28-15)25-27(18)19(21)24-17/h2,4-8,10-11H,1,3,9,20H2,(H2,21,24)
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2.16E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-DPCPX binding at human Adenosine A1 receptor expressed in CHO cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50108022
PNG
(4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...)
Show SMILES Nc1nc2n(CCc3ccc(cc3)S(=O)(=O)N(CCO)CCO)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C22H24N8O5S/c23-22-26-20-17(21-25-19(27-30(21)22)18-2-1-13-35-18)14-24-29(20)8-7-15-3-5-16(6-4-15)36(33,34)28(9-11-31)10-12-32/h1-6,13-14,31-32H,7-12H2,(H2,23,26)
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2.50E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human Adenosine A1 receptor expressed in CHO cells; ranges from 2153-2891


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50108029
PNG
(4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...)
Show SMILES Nc1nc2n(CCc3ccc(cc3)S(N)(=O)=O)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H16N8O3S/c19-18-23-16-13(17-22-15(24-26(17)18)14-2-1-9-29-14)10-21-25(16)8-7-11-3-5-12(6-4-11)30(20,27)28/h1-6,9-10H,7-8H2,(H2,19,23)(H2,20,27,28)
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2.63E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-DPCPX binding at human Adenosine A1 receptor expressed in CHO cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50108026
PNG
(5-[3-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]t...)
Show SMILES Nc1nc2n(CCCc3ccc4O[C@H](Oc4c3)C(O)=O)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C21H17N7O5/c22-21-25-17-12(18-24-16(26-28(18)21)14-4-2-8-31-14)10-23-27(17)7-1-3-11-5-6-13-15(9-11)33-20(32-13)19(29)30/h2,4-6,8-10,20H,1,3,7H2,(H2,22,25)(H,29,30)/t20-/m1/s1
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3.60E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human Adenosine A1 receptor expressed in CHO cells; ranges from 3420-3788


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50108035
PNG
(CHEMBL22200 | {4-[2-(5-Amino-2-furan-2-yl-pyrazolo...)
Show SMILES CCOC(=O)COc1ccc(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Show InChI InChI=1S/C22H21N7O4/c1-2-31-18(30)13-33-15-7-5-14(6-8-15)9-10-28-20-16(12-24-28)21-25-19(17-4-3-11-32-17)27-29(21)22(23)26-20/h3-8,11-12H,2,9-10,13H2,1H3,(H2,23,26)
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4.20E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-DPCPX binding at human Adenosine A1 receptor expressed in CHO cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50108041
PNG
(4-[3-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]t...)
Show SMILES CCOC(=O)c1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Show InChI InChI=1S/C22H21N7O3/c1-2-31-21(30)15-9-7-14(8-10-15)5-3-11-28-19-16(13-24-28)20-25-18(17-6-4-12-32-17)27-29(20)22(23)26-19/h4,6-10,12-13H,2-3,5,11H2,1H3,(H2,23,26)
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4.49E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-DPCPX binding at human Adenosine A1 receptor expressed in CHO cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50108021
PNG
(4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...)
Show SMILES Nc1nc2n(CCCc3ccc(cc3)C(O)=O)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H17N7O3/c21-20-24-17-14(18-23-16(25-27(18)20)15-4-2-10-30-15)11-22-26(17)9-1-3-12-5-7-13(8-6-12)19(28)29/h2,4-8,10-11H,1,3,9H2,(H2,21,24)(H,28,29)
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4.93E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-DPCPX binding at human Adenosine A1 receptor expressed in CHO cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50108023
PNG
(4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...)
Show SMILES NC(=N)c1ccc(CCCn2ncc3c4nc(nn4c(N)nc23)-c2ccco2)cc1
Show InChI InChI=1S/C20H19N9O/c21-16(22)13-7-5-12(6-8-13)3-1-9-28-18-14(11-24-28)19-25-17(15-4-2-10-30-15)27-29(19)20(23)26-18/h2,4-8,10-11H,1,3,9H2,(H3,21,22)(H2,23,26)
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4.97E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-DPCPX binding at human Adenosine A1 receptor expressed in CHO cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50108027
PNG
(4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...)
Show SMILES Nc1nc2n(CCc3ccc(cc3)S(=O)(=O)N(CCCl)CCCl)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C22H22Cl2N8O3S/c23-8-11-30(12-9-24)36(33,34)16-5-3-15(4-6-16)7-10-31-20-17(14-26-31)21-27-19(18-2-1-13-35-18)29-32(21)22(25)28-20/h1-6,13-14H,7-12H2,(H2,25,28)
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5.30E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-DPCPX binding at human Adenosine A1 receptor expressed in CHO cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50108028
PNG
(6-[3-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]t...)
Show SMILES Nc1nc2n(CCCc3cc4OCOc4cc3S(O)(=O)=O)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H17N7O6S/c21-20-24-18-12(19-23-17(25-27(19)20)13-4-2-6-31-13)9-22-26(18)5-1-3-11-7-14-15(33-10-32-14)8-16(11)34(28,29)30/h2,4,6-9H,1,3,5,10H2,(H2,21,24)(H,28,29,30)
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6.39E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX binding at human Adenosine A1 receptor expressed in CHO cells; ranges from 5697-7171


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50108033
PNG
(4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...)
Show SMILES Nc1nc2n(CCCc3ccc(cc3)C#N)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H16N8O/c21-11-14-7-5-13(6-8-14)3-1-9-27-18-15(12-23-27)19-24-17(16-4-2-10-29-16)26-28(19)20(22)25-18/h2,4-8,10,12H,1,3,9H2,(H2,22,25)
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6.50E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-DPCPX binding at human Adenosine A1 receptor expressed in CHO cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50108031
PNG
(2-(4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e]...)
Show SMILES Nc1nc2n(CCc3ccc(cc3)S(=O)(=O)NCC(O)=O)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H18N8O5S/c21-20-25-18-14(19-24-17(26-28(19)20)15-2-1-9-33-15)10-22-27(18)8-7-12-3-5-13(6-4-12)34(31,32)23-11-16(29)30/h1-6,9-10,23H,7-8,11H2,(H2,21,25)(H,29,30)
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9.33E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX binding at human Adenosine A1 receptor expressed in CHO cells; ranges from 8783-9911


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50108025
PNG
(5-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...)
Show SMILES Nc1nc2n(CCCc3ccc4OC(Oc4c3)(C(O)=O)C(O)=O)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C22H17N7O7/c23-21-26-17-12(18-25-16(27-29(18)21)14-4-2-8-34-14)10-24-28(17)7-1-3-11-5-6-13-15(9-11)36-22(35-13,19(30)31)20(32)33/h2,4-6,8-10H,1,3,7H2,(H2,23,26)(H,30,31)(H,32,33)
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9.40E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human Adenosine A1 receptor expressed in CHO cells; ranges from 9038-9773


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50108032
PNG
(CHEMBL281626 | disodium 5-[3-(5-Amino-2-furan-2-yl...)
Show SMILES Nc1nc2n(CCCc3ccc4OC(Oc4c3)(C([O-])=O)C([O-])=O)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C22H17N7O7/c23-21-26-17-12(18-25-16(27-29(18)21)14-4-2-8-34-14)10-24-28(17)7-1-3-11-5-6-13-15(9-11)36-22(35-13,19(30)31)20(32)33/h2,4-6,8-10H,1,3,7H2,(H2,23,26)(H,30,31)(H,32,33)/p-2
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9.53E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX binding at human Adenosine A1 receptor expressed in CHO cells; ranges from 9257-9817


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50108039
PNG
(4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...)
Show SMILES Nc1nc2n(CCCc3ccc(cc3)S(O)(=O)=O)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C19H17N7O4S/c20-19-23-17-14(18-22-16(24-26(18)19)15-4-2-10-30-15)11-21-25(17)9-1-3-12-5-7-13(8-6-12)31(27,28)29/h2,4-8,10-11H,1,3,9H2,(H2,20,23)(H,27,28,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-DPCPX binding at human adenosine A2B receptor expressed in HEK-293 cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50108022
PNG
(4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...)
Show SMILES Nc1nc2n(CCc3ccc(cc3)S(=O)(=O)N(CCO)CCO)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C22H24N8O5S/c23-22-26-20-17(21-25-19(27-30(21)22)18-2-1-13-35-18)14-24-29(20)8-7-15-3-5-16(6-4-15)36(33,34)28(9-11-31)10-12-32/h1-6,13-14,31-32H,7-12H2,(H2,23,26)
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>1.00E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-MRE3008-F20 binding at human adenosine A3 receptor expressed in CHO cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50108027
PNG
(4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...)
Show SMILES Nc1nc2n(CCc3ccc(cc3)S(=O)(=O)N(CCCl)CCCl)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C22H22Cl2N8O3S/c23-8-11-30(12-9-24)36(33,34)16-5-3-15(4-6-16)7-10-31-20-17(14-26-31)21-27-19(18-2-1-13-35-18)29-32(21)22(25)28-20/h1-6,13-14H,7-12H2,(H2,25,28)
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>1.00E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-MRE3008-F20 binding at human adenosine A3 receptor expressed in CHO cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50108030
PNG
(2,2'-(4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3...)
Show SMILES Nc1nc2n(CCCc3ccc(cc3)N(CCO)CCO)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C23H26N8O3/c24-23-27-21-18(22-26-20(28-31(22)23)19-4-2-14-34-19)15-25-30(21)9-1-3-16-5-7-17(8-6-16)29(10-12-32)11-13-33/h2,4-8,14-15,32-33H,1,3,9-13H2,(H2,24,27)
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>1.00E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-MRE3008-F20 binding at human adenosine A3 receptor expressed in CHO cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50108028
PNG
(6-[3-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]t...)
Show SMILES Nc1nc2n(CCCc3cc4OCOc4cc3S(O)(=O)=O)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H17N7O6S/c21-20-24-18-12(19-23-17(25-27(19)20)13-4-2-6-31-13)9-22-26(18)5-1-3-11-7-14-15(33-10-32-14)8-16(11)34(28,29)30/h2,4,6-9H,1,3,5,10H2,(H2,21,24)(H,28,29,30)
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>1.00E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-MRE3008-F20 binding at human adenosine A3 receptor expressed in CHO cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50108039
PNG
(4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...)
Show SMILES Nc1nc2n(CCCc3ccc(cc3)S(O)(=O)=O)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C19H17N7O4S/c20-19-23-17-14(18-22-16(24-26(18)19)15-4-2-10-30-15)11-21-25(17)9-1-3-12-5-7-13(8-6-12)31(27,28)29/h2,4-8,10-11H,1,3,9H2,(H2,20,23)(H,27,28,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-MRE3008-F20 binding at human adenosine A3 receptor expressed in CHO cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50108021
PNG
(4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...)
Show SMILES Nc1nc2n(CCCc3ccc(cc3)C(O)=O)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H17N7O3/c21-20-24-17-14(18-23-16(25-27(18)20)15-4-2-10-30-15)11-22-26(17)9-1-3-12-5-7-13(8-6-12)19(28)29/h2,4-8,10-11H,1,3,9H2,(H2,21,24)(H,28,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-DPCPX binding at human adenosine A2B receptor expressed in HEK-293 cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50108031
PNG
(2-(4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e]...)
Show SMILES Nc1nc2n(CCc3ccc(cc3)S(=O)(=O)NCC(O)=O)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H18N8O5S/c21-20-25-18-14(19-24-17(26-28(19)20)15-2-1-9-33-15)10-22-27(18)8-7-12-3-5-13(6-4-12)34(31,32)23-11-16(29)30/h1-6,9-10,23H,7-8,11H2,(H2,21,25)(H,29,30)
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>1.00E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-MRE3008-F20 binding at human adenosine A3 receptor expressed in CHO cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50108040
PNG
(2-(furan-2-yl)-7-(3-(4-nitrophenyl)propyl)-7H-pyra...)
Show SMILES Nc1nc2n(CCCc3ccc(cc3)[N+]([O-])=O)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C19H16N8O3/c20-19-23-17-14(18-22-16(24-26(18)19)15-4-2-10-30-15)11-21-25(17)9-1-3-12-5-7-13(8-6-12)27(28)29/h2,4-8,10-11H,1,3,9H2,(H2,20,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-DPCPX binding at human adenosine A2B receptor expressed in HEK-293 cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50108023
PNG
(4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...)
Show SMILES NC(=N)c1ccc(CCCn2ncc3c4nc(nn4c(N)nc23)-c2ccco2)cc1
Show InChI InChI=1S/C20H19N9O/c21-16(22)13-7-5-12(6-8-13)3-1-9-28-18-14(11-24-28)19-25-17(15-4-2-10-30-15)27-29(19)20(23)26-18/h2,4-8,10-11H,1,3,9H2,(H3,21,22)(H2,23,26)
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Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-DPCPX binding at human adenosine A2B receptor expressed in HEK-293 cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50108038
PNG
(2-(furan-2-yl)-7-(4-(4-methylpiperazin-1-ylsulfony...)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Show InChI InChI=1S/C23H25N9O3S/c1-29-10-12-30(13-11-29)36(33,34)17-6-4-16(5-7-17)8-9-31-21-18(15-25-31)22-26-20(19-3-2-14-35-19)28-32(22)23(24)27-21/h2-7,14-15H,8-13H2,1H3,(H2,24,27)
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>1.00E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-MRE3008-F20 binding at human adenosine A3 receptor expressed in CHO cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50108030
PNG
(2,2'-(4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3...)
Show SMILES Nc1nc2n(CCCc3ccc(cc3)N(CCO)CCO)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C23H26N8O3/c24-23-27-21-18(22-26-20(28-31(22)23)19-4-2-14-34-19)15-25-30(21)9-1-3-16-5-7-17(8-6-16)29(10-12-32)11-13-33/h2,4-8,14-15,32-33H,1,3,9-13H2,(H2,24,27)
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>1.00E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-DPCPX binding at human adenosine A2B receptor expressed in HEK-293 cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50108022
PNG
(4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...)
Show SMILES Nc1nc2n(CCc3ccc(cc3)S(=O)(=O)N(CCO)CCO)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C22H24N8O5S/c23-22-26-20-17(21-25-19(27-30(21)22)18-2-1-13-35-18)14-24-29(20)8-7-15-3-5-16(6-4-15)36(33,34)28(9-11-31)10-12-32/h1-6,13-14,31-32H,7-12H2,(H2,23,26)
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>1.00E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-DPCPX binding at human adenosine A2B receptor expressed in HEK-293 cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50108020
PNG
(7-(3-(4-(aminomethyl)phenyl)propyl)-2-(furan-2-yl)...)
Show SMILES NCc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Show InChI InChI=1S/C20H20N8O/c21-11-14-7-5-13(6-8-14)3-1-9-27-18-15(12-23-27)19-24-17(16-4-2-10-29-16)26-28(19)20(22)25-18/h2,4-8,10,12H,1,3,9,11,21H2,(H2,22,25)
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Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-DPCPX binding at human adenosine A2B receptor expressed in HEK-293 cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50108019
PNG
((5-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1...)
Show SMILES Nc1nc2n(CCCc3ccc4OC(CO)(CO)Oc4c3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C22H21N7O5/c23-21-26-19-14(20-25-18(27-29(20)21)16-4-2-8-32-16)10-24-28(19)7-1-3-13-5-6-15-17(9-13)34-22(11-30,12-31)33-15/h2,4-6,8-10,30-31H,1,3,7,11-12H2,(H2,23,26)
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Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-DPCPX binding at human adenosine A2B receptor expressed in HEK-293 cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50108036
PNG
(CHEMBL22500 | N-(4-(2-(5-amino-2-(furan-2-yl)-7H-p...)
Show SMILES CC(=O)Nc1ccc(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Show InChI InChI=1S/C20H18N8O2/c1-12(29)23-14-6-4-13(5-7-14)8-9-27-18-15(11-22-27)19-24-17(16-3-2-10-30-16)26-28(19)20(21)25-18/h2-7,10-11H,8-9H2,1H3,(H2,21,25)(H,23,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-DPCPX binding at human adenosine A2B receptor expressed in HEK-293 cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50108034
PNG
(5-[3-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]t...)
Show SMILES CCOC(=O)[C@@H]1Oc2ccc(CCCn3ncc4c5nc(nn5c(N)nc34)-c3ccco3)cc2O1
Show InChI InChI=1S/C23H21N7O5/c1-2-32-21(31)22-34-15-8-7-13(11-17(15)35-22)5-3-9-29-19-14(12-25-29)20-26-18(16-6-4-10-33-16)28-30(20)23(24)27-19/h4,6-8,10-12,22H,2-3,5,9H2,1H3,(H2,24,27)/t22-/m1/s1
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Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-DPCPX binding at human adenosine A2B receptor expressed in HEK-293 cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50048466
PNG
(2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,...)
Show SMILES Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22)
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>1.00E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-DPCPX binding at human adenosine A2B receptor expressed in HEK-293 cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50108035
PNG
(CHEMBL22200 | {4-[2-(5-Amino-2-furan-2-yl-pyrazolo...)
Show SMILES CCOC(=O)COc1ccc(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Show InChI InChI=1S/C22H21N7O4/c1-2-31-18(30)13-33-15-7-5-14(6-8-15)9-10-28-20-16(12-24-28)21-25-19(17-4-3-11-32-17)27-29(21)22(23)26-20/h3-8,11-12H,2,9-10,13H2,1H3,(H2,23,26)
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>1.00E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-MRE3008-F20 binding at human adenosine A3 receptor expressed in CHO cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50108038
PNG
(2-(furan-2-yl)-7-(4-(4-methylpiperazin-1-ylsulfony...)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Show InChI InChI=1S/C23H25N9O3S/c1-29-10-12-30(13-11-29)36(33,34)17-6-4-16(5-7-17)8-9-31-21-18(15-25-31)22-26-20(19-3-2-14-35-19)28-32(22)23(24)27-21/h2-7,14-15H,8-13H2,1H3,(H2,24,27)
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>1.00E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-DPCPX binding at human adenosine A2B receptor expressed in HEK-293 cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50108037
PNG
(4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...)
Show SMILES Nc1nc2n(CCCc3ccc(cc3)C(=N)NO)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H19N9O2/c21-16(27-30)13-7-5-12(6-8-13)3-1-9-28-18-14(11-23-28)19-24-17(15-4-2-10-31-15)26-29(19)20(22)25-18/h2,4-8,10-11,30H,1,3,9H2,(H2,21,27)(H2,22,25)
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Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-DPCPX binding at human adenosine A2B receptor expressed in HEK-293 cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50108025
PNG
(5-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...)
Show SMILES Nc1nc2n(CCCc3ccc4OC(Oc4c3)(C(O)=O)C(O)=O)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C22H17N7O7/c23-21-26-17-12(18-25-16(27-29(18)21)14-4-2-8-34-14)10-24-28(17)7-1-3-11-5-6-13-15(9-11)36-22(35-13,19(30)31)20(32)33/h2,4-6,8-10H,1,3,7H2,(H2,23,26)(H,30,31)(H,32,33)
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>1.00E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-MRE3008-F20 binding at human adenosine A3 receptor expressed in CHO cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50108024
PNG
(4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...)
Show SMILES Nc1nc2n(CCc3ccc(cc3)S(O)(=O)=O)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H15N7O4S/c19-18-22-16-13(17-21-15(23-25(17)18)14-2-1-9-29-14)10-20-24(16)8-7-11-3-5-12(6-4-11)30(26,27)28/h1-6,9-10H,7-8H2,(H2,19,22)(H,26,27,28)
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>1.00E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-MRE3008-F20 binding at human adenosine A3 receptor expressed in CHO cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50108019
PNG
((5-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1...)
Show SMILES Nc1nc2n(CCCc3ccc4OC(CO)(CO)Oc4c3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C22H21N7O5/c23-21-26-19-14(20-25-18(27-29(20)21)16-4-2-8-32-16)10-24-28(19)7-1-3-13-5-6-15-17(9-13)34-22(11-30,12-31)33-15/h2,4-6,8-10,30-31H,1,3,7,11-12H2,(H2,23,26)
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Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-MRE3008-F20 binding at human adenosine A3 receptor expressed in CHO cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50108018
PNG
(7-(3-(4-aminophenyl)propyl)-2-(furan-2-yl)-7H-pyra...)
Show SMILES Nc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Show InChI InChI=1S/C19H18N8O/c20-13-7-5-12(6-8-13)3-1-9-26-17-14(11-22-26)18-23-16(15-4-2-10-28-15)25-27(18)19(21)24-17/h2,4-8,10-11H,1,3,9,20H2,(H2,21,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-MRE3008-F20 binding at human adenosine A3 receptor expressed in CHO cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50108042
PNG
(7-(4-aminophenethyl)-2-(furan-2-yl)-7H-pyrazolo[4,...)
Show SMILES Nc1ccc(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Show InChI InChI=1S/C18H16N8O/c19-12-5-3-11(4-6-12)7-8-25-16-13(10-21-25)17-22-15(14-2-1-9-27-14)24-26(17)18(20)23-16/h1-6,9-10H,7-8,19H2,(H2,20,23)
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Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-MRE3008-F20 binding at human adenosine A3 receptor expressed in CHO cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50108043
PNG
(2,2'-(4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3...)
Show SMILES Nc1nc2n(CCc3ccc(cc3)N(CCO)CCO)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C22H24N8O3/c23-22-26-20-17(21-25-19(27-30(21)22)18-2-1-13-33-18)14-24-29(20)8-7-15-3-5-16(6-4-15)28(9-11-31)10-12-32/h1-6,13-14,31-32H,7-12H2,(H2,23,26)
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Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-MRE3008-F20 binding at human adenosine A3 receptor expressed in CHO cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50108023
PNG
(4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...)
Show SMILES NC(=N)c1ccc(CCCn2ncc3c4nc(nn4c(N)nc23)-c2ccco2)cc1
Show InChI InChI=1S/C20H19N9O/c21-16(22)13-7-5-12(6-8-13)3-1-9-28-18-14(11-24-28)19-25-17(15-4-2-10-30-15)27-29(19)20(23)26-18/h2,4-8,10-11H,1,3,9H2,(H3,21,22)(H2,23,26)
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Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-MRE3008-F20 binding at human adenosine A3 receptor expressed in CHO cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50108026
PNG
(5-[3-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]t...)
Show SMILES Nc1nc2n(CCCc3ccc4O[C@H](Oc4c3)C(O)=O)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C21H17N7O5/c22-21-25-17-12(18-24-16(26-28(18)21)14-4-2-8-31-14)10-23-27(17)7-1-3-11-5-6-13-15(9-11)33-20(32-13)19(29)30/h2,4-6,8-10,20H,1,3,7H2,(H2,22,25)(H,29,30)/t20-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-DPCPX binding at human adenosine A2B receptor expressed in HEK-293 cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50108034
PNG
(5-[3-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]t...)
Show SMILES CCOC(=O)[C@@H]1Oc2ccc(CCCn3ncc4c5nc(nn5c(N)nc34)-c3ccco3)cc2O1
Show InChI InChI=1S/C23H21N7O5/c1-2-32-21(31)22-34-15-8-7-13(11-17(15)35-22)5-3-9-29-19-14(12-25-29)20-26-18(16-6-4-10-33-16)28-30(20)23(24)27-19/h4,6-8,10-12,22H,2-3,5,9H2,1H3,(H2,24,27)/t22-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-MRE3008-F20 binding at human adenosine A3 receptor expressed in CHO cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50051241
PNG
(2-(furan-2-yl)-7-(3-phenylpropyl)-7H-pyrazolo[4,3-...)
Show SMILES Nc1nc2n(CCCc3ccccc3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C19H17N7O/c20-19-23-17-14(18-22-16(24-26(18)19)15-9-5-11-27-15)12-21-25(17)10-4-8-13-6-2-1-3-7-13/h1-3,5-7,9,11-12H,4,8,10H2,(H2,20,23)
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Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-DPCPX binding at human adenosine A2B receptor expressed in HEK-293 cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50108018
PNG
(7-(3-(4-aminophenyl)propyl)-2-(furan-2-yl)-7H-pyra...)
Show SMILES Nc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Show InChI InChI=1S/C19H18N8O/c20-13-7-5-12(6-8-13)3-1-9-26-17-14(11-22-26)18-23-16(15-4-2-10-28-15)25-27(18)19(21)24-17/h2,4-8,10-11H,1,3,9,20H2,(H2,21,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-DPCPX binding at human adenosine A2B receptor expressed in HEK-293 cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50108029
PNG
(4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...)
Show SMILES Nc1nc2n(CCc3ccc(cc3)S(N)(=O)=O)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H16N8O3S/c19-18-23-16-13(17-22-15(24-26(17)18)14-2-1-9-29-14)10-21-25(16)8-7-11-3-5-12(6-4-11)30(20,27)28/h1-6,9-10H,7-8H2,(H2,19,23)(H2,20,27,28)
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Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-DPCPX binding at human adenosine A2B receptor expressed in HEK-293 cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50108042
PNG
(7-(4-aminophenethyl)-2-(furan-2-yl)-7H-pyrazolo[4,...)
Show SMILES Nc1ccc(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Show InChI InChI=1S/C18H16N8O/c19-12-5-3-11(4-6-12)7-8-25-16-13(10-21-25)17-22-15(14-2-1-9-27-14)24-26(17)18(20)23-16/h1-6,9-10H,7-8,19H2,(H2,20,23)
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Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-DPCPX binding at human adenosine A2B receptor expressed in HEK-293 cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50108036
PNG
(CHEMBL22500 | N-(4-(2-(5-amino-2-(furan-2-yl)-7H-p...)
Show SMILES CC(=O)Nc1ccc(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Show InChI InChI=1S/C20H18N8O2/c1-12(29)23-14-6-4-13(5-7-14)8-9-27-18-15(11-22-27)19-24-17(16-3-2-10-30-16)26-28(19)20(21)25-18/h2-7,10-11H,8-9H2,1H3,(H2,21,25)(H,23,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-MRE3008-F20 binding at human adenosine A3 receptor expressed in CHO cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50108033
PNG
(4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...)
Show SMILES Nc1nc2n(CCCc3ccc(cc3)C#N)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H16N8O/c21-11-14-7-5-13(6-8-14)3-1-9-27-18-15(12-23-27)19-24-17(16-4-2-10-29-16)26-28(19)20(22)25-18/h2,4-8,10,12H,1,3,9H2,(H2,22,25)
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Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-MRE3008-F20 binding at human adenosine A3 receptor expressed in CHO cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50108032
PNG
(CHEMBL281626 | disodium 5-[3-(5-Amino-2-furan-2-yl...)
Show SMILES Nc1nc2n(CCCc3ccc4OC(Oc4c3)(C([O-])=O)C([O-])=O)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C22H17N7O7/c23-21-26-17-12(18-25-16(27-29(18)21)14-4-2-8-34-14)10-24-28(17)7-1-3-11-5-6-13-15(9-11)36-22(35-13,19(30)31)20(32)33/h2,4-6,8-10H,1,3,7H2,(H2,23,26)(H,30,31)(H,32,33)/p-2
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>1.00E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-MRE3008-F20 binding at human adenosine A3 receptor expressed in CHO cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50108035
PNG
(CHEMBL22200 | {4-[2-(5-Amino-2-furan-2-yl-pyrazolo...)
Show SMILES CCOC(=O)COc1ccc(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Show InChI InChI=1S/C22H21N7O4/c1-2-31-18(30)13-33-15-7-5-14(6-8-15)9-10-28-20-16(12-24-28)21-25-19(17-4-3-11-32-17)27-29(21)22(23)26-20/h3-8,11-12H,2,9-10,13H2,1H3,(H2,23,26)
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Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-DPCPX binding at human adenosine A2B receptor expressed in HEK-293 cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50108040
PNG
(2-(furan-2-yl)-7-(3-(4-nitrophenyl)propyl)-7H-pyra...)
Show SMILES Nc1nc2n(CCCc3ccc(cc3)[N+]([O-])=O)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C19H16N8O3/c20-19-23-17-14(18-22-16(24-26(18)19)15-4-2-10-30-15)11-21-25(17)9-1-3-12-5-7-13(8-6-12)27(28)29/h2,4-8,10-11H,1,3,9H2,(H2,20,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-MRE3008-F20 binding at human adenosine A3 receptor expressed in CHO cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50108020
PNG
(7-(3-(4-(aminomethyl)phenyl)propyl)-2-(furan-2-yl)...)
Show SMILES NCc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Show InChI InChI=1S/C20H20N8O/c21-11-14-7-5-13(6-8-14)3-1-9-27-18-15(12-23-27)19-24-17(16-4-2-10-29-16)26-28(19)20(22)25-18/h2,4-8,10,12H,1,3,9,11,21H2,(H2,22,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-MRE3008-F20 binding at human adenosine A3 receptor expressed in CHO cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50048466
PNG
(2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,...)
Show SMILES Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22)
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>1.00E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-MRE3008-F20 binding at human adenosine A3 receptor expressed in CHO cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50108025
PNG
(5-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...)
Show SMILES Nc1nc2n(CCCc3ccc4OC(Oc4c3)(C(O)=O)C(O)=O)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C22H17N7O7/c23-21-26-17-12(18-25-16(27-29(18)21)14-4-2-8-34-14)10-24-28(17)7-1-3-11-5-6-13-15(9-11)36-22(35-13,19(30)31)20(32)33/h2,4-6,8-10H,1,3,7H2,(H2,23,26)(H,30,31)(H,32,33)
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Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-DPCPX binding at human adenosine A2B receptor expressed in HEK-293 cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50108029
PNG
(4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...)
Show SMILES Nc1nc2n(CCc3ccc(cc3)S(N)(=O)=O)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H16N8O3S/c19-18-23-16-13(17-22-15(24-26(17)18)14-2-1-9-29-14)10-21-25(16)8-7-11-3-5-12(6-4-11)30(20,27)28/h1-6,9-10H,7-8H2,(H2,19,23)(H2,20,27,28)
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>1.00E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-MRE3008-F20 binding at human adenosine A3 receptor expressed in CHO cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50051241
PNG
(2-(furan-2-yl)-7-(3-phenylpropyl)-7H-pyrazolo[4,3-...)
Show SMILES Nc1nc2n(CCCc3ccccc3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C19H17N7O/c20-19-23-17-14(18-22-16(24-26(18)19)15-9-5-11-27-15)12-21-25(17)10-4-8-13-6-2-1-3-7-13/h1-3,5-7,9,11-12H,4,8,10H2,(H2,20,23)
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Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-MRE3008-F20 binding at human adenosine A3 receptor expressed in CHO cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50108026
PNG
(5-[3-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]t...)
Show SMILES Nc1nc2n(CCCc3ccc4O[C@H](Oc4c3)C(O)=O)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C21H17N7O5/c22-21-25-17-12(18-24-16(26-28(18)21)14-4-2-8-31-14)10-23-27(17)7-1-3-11-5-6-13-15(9-11)33-20(32-13)19(29)30/h2,4-6,8-10,20H,1,3,7H2,(H2,22,25)(H,29,30)/t20-/m1/s1
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Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-MRE3008-F20 binding at human adenosine A3 receptor expressed in CHO cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50108037
PNG
(4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...)
Show SMILES Nc1nc2n(CCCc3ccc(cc3)C(=N)NO)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H19N9O2/c21-16(27-30)13-7-5-12(6-8-13)3-1-9-28-18-14(11-23-28)19-24-17(15-4-2-10-31-15)26-29(19)20(22)25-18/h2,4-8,10-11,30H,1,3,9H2,(H2,21,27)(H2,22,25)
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Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-MRE3008-F20 binding at human adenosine A3 receptor expressed in CHO cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50108024
PNG
(4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...)
Show SMILES Nc1nc2n(CCc3ccc(cc3)S(O)(=O)=O)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H15N7O4S/c19-18-22-16-13(17-21-15(23-25(17)18)14-2-1-9-29-14)10-20-24(16)8-7-11-3-5-12(6-4-11)30(26,27)28/h1-6,9-10H,7-8H2,(H2,19,22)(H,26,27,28)
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Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-DPCPX binding at human adenosine A2B receptor expressed in HEK-293 cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50108027
PNG
(4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...)
Show SMILES Nc1nc2n(CCc3ccc(cc3)S(=O)(=O)N(CCCl)CCCl)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C22H22Cl2N8O3S/c23-8-11-30(12-9-24)36(33,34)16-5-3-15(4-6-16)7-10-31-20-17(14-26-31)21-27-19(18-2-1-13-35-18)29-32(21)22(25)28-20/h1-6,13-14H,7-12H2,(H2,25,28)
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Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-DPCPX binding at human adenosine A2B receptor expressed in HEK-293 cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50108041
PNG
(4-[3-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]t...)
Show SMILES CCOC(=O)c1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Show InChI InChI=1S/C22H21N7O3/c1-2-31-21(30)15-9-7-14(8-10-15)5-3-11-28-19-16(13-24-28)20-25-18(17-6-4-12-32-17)27-29(20)22(23)26-19/h4,6-10,12-13H,2-3,5,11H2,1H3,(H2,23,26)
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Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-MRE3008-F20 binding at human adenosine A3 receptor expressed in CHO cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50108021
PNG
(4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...)
Show SMILES Nc1nc2n(CCCc3ccc(cc3)C(O)=O)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H17N7O3/c21-20-24-17-14(18-23-16(25-27(18)20)15-4-2-10-30-15)11-22-26(17)9-1-3-12-5-7-13(8-6-12)19(28)29/h2,4-8,10-11H,1,3,9H2,(H2,21,24)(H,28,29)
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Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-MRE3008-F20 binding at human adenosine A3 receptor expressed in CHO cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50108031
PNG
(2-(4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e]...)
Show SMILES Nc1nc2n(CCc3ccc(cc3)S(=O)(=O)NCC(O)=O)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H18N8O5S/c21-20-25-18-14(19-24-17(26-28(19)20)15-2-1-9-33-15)10-22-27(18)8-7-12-3-5-13(6-4-12)34(31,32)23-11-16(29)30/h1-6,9-10,23H,7-8,11H2,(H2,21,25)(H,29,30)
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Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-DPCPX binding at human adenosine A2B receptor expressed in HEK-293 cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50108032
PNG
(CHEMBL281626 | disodium 5-[3-(5-Amino-2-furan-2-yl...)
Show SMILES Nc1nc2n(CCCc3ccc4OC(Oc4c3)(C([O-])=O)C([O-])=O)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C22H17N7O7/c23-21-26-17-12(18-25-16(27-29(18)21)14-4-2-8-34-14)10-24-28(17)7-1-3-11-5-6-13-15(9-11)36-22(35-13,19(30)31)20(32)33/h2,4-6,8-10H,1,3,7H2,(H2,23,26)(H,30,31)(H,32,33)/p-2
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Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-DPCPX binding at human adenosine A2B receptor expressed in HEK-293 cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50108033
PNG
(4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...)
Show SMILES Nc1nc2n(CCCc3ccc(cc3)C#N)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H16N8O/c21-11-14-7-5-13(6-8-14)3-1-9-27-18-15(12-23-27)19-24-17(16-4-2-10-29-16)26-28(19)20(22)25-18/h2,4-8,10,12H,1,3,9H2,(H2,22,25)
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Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-DPCPX binding at human adenosine A2B receptor expressed in HEK-293 cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50108028
PNG
(6-[3-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]t...)
Show SMILES Nc1nc2n(CCCc3cc4OCOc4cc3S(O)(=O)=O)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H17N7O6S/c21-20-24-18-12(19-23-17(25-27(19)20)13-4-2-6-31-13)9-22-26(18)5-1-3-11-7-14-15(33-10-32-14)8-16(11)34(28,29)30/h2,4,6-9H,1,3,5,10H2,(H2,21,24)(H,28,29,30)
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Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-DPCPX binding at human adenosine A2B receptor expressed in HEK-293 cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50108041
PNG
(4-[3-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]t...)
Show SMILES CCOC(=O)c1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Show InChI InChI=1S/C22H21N7O3/c1-2-31-21(30)15-9-7-14(8-10-15)5-3-11-28-19-16(13-24-28)20-25-18(17-6-4-12-32-17)27-29(20)22(23)26-19/h4,6-10,12-13H,2-3,5,11H2,1H3,(H2,23,26)
PDB

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KEGG

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UniChem

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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-DPCPX binding at human adenosine A2B receptor expressed in HEK-293 cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50108043
PNG
(2,2'-(4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3...)
Show SMILES Nc1nc2n(CCc3ccc(cc3)N(CCO)CCO)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C22H24N8O3/c23-22-26-20-17(21-25-19(27-30(21)22)18-2-1-13-33-18)14-24-29(20)8-7-15-3-5-16(6-4-15)28(9-11-31)10-12-32/h1-6,13-14,31-32H,7-12H2,(H2,23,26)
PDB

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KEGG

UniProtKB/SwissProt

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UniChem

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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-DPCPX binding at human adenosine A2B receptor expressed in HEK-293 cells.


J Med Chem 45: 115-26 (2001)


BindingDB Entry DOI: 10.7270/Q29Z946T
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%