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Compile Data Set for Download or QSAR

Found 42 hits with Last Name = 'pineda de las infantas y villatoro' and Initial = 'mj'   
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


(Rattus norvegicus (rat))
BDBM50051232
PNG
(8-(4-Fluoro-benzyl)-2-furan-2-yl-8H-pyrazolo[4,3-e...)
Show SMILES Nc1nc2nn(Cc3ccc(F)cc3)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C17H12FN7O/c18-11-5-3-10(4-6-11)8-24-9-12-14(22-24)21-17(19)25-16(12)20-15(23-25)13-2-1-7-26-13/h1-7,9H,8H2,(H2,19,21,22)
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1.20n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal homogenates.


J Med Chem 39: 1164-71 (1996)


Article DOI: 10.1021/jm950746l
BindingDB Entry DOI: 10.7270/Q2NP23H4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50004566
PNG
(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinaz...)
Show SMILES Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16)
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1.20n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal homogenates.


J Med Chem 39: 1164-71 (1996)


Article DOI: 10.1021/jm950746l
BindingDB Entry DOI: 10.7270/Q2NP23H4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50051234
PNG
(2-(furan-2-yl)-8-phenethyl-8H-pyrazolo[4,3-e][1,2,...)
Show SMILES Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H15N7O/c19-18-21-15-13(11-24(22-15)9-8-12-5-2-1-3-6-12)17-20-16(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,21,22)
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1.40n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal homogenates.


J Med Chem 39: 1164-71 (1996)


Article DOI: 10.1021/jm950746l
BindingDB Entry DOI: 10.7270/Q2NP23H4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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1.5n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CHA binding to Adenosine A1 receptor in rat whole brain homogenates.


J Med Chem 39: 1164-71 (1996)


Article DOI: 10.1021/jm950746l
BindingDB Entry DOI: 10.7270/Q2NP23H4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50094688
PNG
(2-(furan-2-yl)-8-isopentyl-8H-pyrazolo[4,3-e][1,2,...)
Show SMILES CC(C)CCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C15H17N7O/c1-9(2)5-6-21-8-10-12(19-21)18-15(16)22-14(10)17-13(20-22)11-4-3-7-23-11/h3-4,7-9H,5-6H2,1-2H3,(H2,16,18,19)
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1.90n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal homogenates.


J Med Chem 39: 1164-71 (1996)


Article DOI: 10.1021/jm950746l
BindingDB Entry DOI: 10.7270/Q2NP23H4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
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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2.30n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal homogenates.


J Med Chem 39: 1164-71 (1996)


Article DOI: 10.1021/jm950746l
BindingDB Entry DOI: 10.7270/Q2NP23H4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50051242
PNG
(8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]tria...)
Show SMILES CCCCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C14H15N7O/c1-2-3-6-20-8-9-11(18-20)17-14(15)21-13(9)16-12(19-21)10-5-4-7-22-10/h4-5,7-8H,2-3,6H2,1H3,(H2,15,17,18)
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2.40n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal homogenates.


J Med Chem 39: 1164-71 (1996)


Article DOI: 10.1021/jm950746l
BindingDB Entry DOI: 10.7270/Q2NP23H4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
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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2.40n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal homogenates.


J Med Chem 39: 1164-71 (1996)


Article DOI: 10.1021/jm950746l
BindingDB Entry DOI: 10.7270/Q2NP23H4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50051232
PNG
(8-(4-Fluoro-benzyl)-2-furan-2-yl-8H-pyrazolo[4,3-e...)
Show SMILES Nc1nc2nn(Cc3ccc(F)cc3)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C17H12FN7O/c18-11-5-3-10(4-6-11)8-24-9-12-14(22-24)21-17(19)25-16(12)20-15(23-25)13-2-1-7-26-13/h1-7,9H,8H2,(H2,19,21,22)
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3.30n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CHA binding to Adenosine A1 receptor in rat whole brain homogenates.


J Med Chem 39: 1164-71 (1996)


Article DOI: 10.1021/jm950746l
BindingDB Entry DOI: 10.7270/Q2NP23H4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50051234
PNG
(2-(furan-2-yl)-8-phenethyl-8H-pyrazolo[4,3-e][1,2,...)
Show SMILES Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H15N7O/c19-18-21-15-13(11-24(22-15)9-8-12-5-2-1-3-6-12)17-20-16(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,21,22)
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4.70n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CHA binding to Adenosine A1 receptor in rat whole brain homogenates.


J Med Chem 39: 1164-71 (1996)


Article DOI: 10.1021/jm950746l
BindingDB Entry DOI: 10.7270/Q2NP23H4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50094688
PNG
(2-(furan-2-yl)-8-isopentyl-8H-pyrazolo[4,3-e][1,2,...)
Show SMILES CC(C)CCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C15H17N7O/c1-9(2)5-6-21-8-10-12(19-21)18-15(16)22-14(10)17-13(20-22)11-4-3-7-23-11/h3-4,7-9H,5-6H2,1-2H3,(H2,16,18,19)
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5.60n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CHA binding to Adenosine A1 receptor in rat whole brain homogenates.


J Med Chem 39: 1164-71 (1996)


Article DOI: 10.1021/jm950746l
BindingDB Entry DOI: 10.7270/Q2NP23H4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50051228
PNG
(2-Furan-2-yl-7-(2-morpholin-4-yl-ethyl)-7H-pyrazol...)
Show SMILES Nc1nc2n(CCN3CCOCC3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H18N8O2/c17-16-20-14-11(10-18-23(14)4-3-22-5-8-25-9-6-22)15-19-13(21-24(15)16)12-2-1-7-26-12/h1-2,7,10H,3-6,8-9H2,(H2,17,20)
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5.60n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal homogenates.


J Med Chem 39: 1164-71 (1996)


Article DOI: 10.1021/jm950746l
BindingDB Entry DOI: 10.7270/Q2NP23H4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50004566
PNG
(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinaz...)
Show SMILES Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16)
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6.40n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CHA binding to Adenosine A1 receptor in rat whole brain homogenates.


J Med Chem 39: 1164-71 (1996)


Article DOI: 10.1021/jm950746l
BindingDB Entry DOI: 10.7270/Q2NP23H4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50051227
PNG
(7-Butyl-2-furan-2-yl-7H-pyrazolo[4,3-e][1,2,4]tria...)
Show SMILES CCCCn1ncc2c1nc(N)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C14H15N7O/c1-2-3-6-20-12-9(8-16-20)13-17-11(10-5-4-7-22-10)19-21(13)14(15)18-12/h4-5,7-8H,2-3,6H2,1H3,(H2,15,18)
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8.90n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal homogenates.


J Med Chem 39: 1164-71 (1996)


Article DOI: 10.1021/jm950746l
BindingDB Entry DOI: 10.7270/Q2NP23H4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50051226
PNG
(7-(4-Fluoro-benzyl)-2-furan-2-yl-7H-pyrazolo[4,3-e...)
Show SMILES Nc1nc2n(Cc3ccc(F)cc3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C17H12FN7O/c18-11-5-3-10(4-6-11)9-24-15-12(8-20-24)16-21-14(13-2-1-7-26-13)23-25(16)17(19)22-15/h1-8H,9H2,(H2,19,22)
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12n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal homogenates.


J Med Chem 39: 1164-71 (1996)


Article DOI: 10.1021/jm950746l
BindingDB Entry DOI: 10.7270/Q2NP23H4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50051237
PNG
(2-Furan-2-yl-7-(2-methyl-butyl)-7H-pyrazolo[4,3-e]...)
Show SMILES CCC(C)Cn1ncc2c1nc(N)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C15H17N7O/c1-3-9(2)8-21-13-10(7-17-21)14-18-12(11-5-4-6-23-11)20-22(14)15(16)19-13/h4-7,9H,3,8H2,1-2H3,(H2,16,19)
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12n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal homogenates.


J Med Chem 39: 1164-71 (1996)


Article DOI: 10.1021/jm950746l
BindingDB Entry DOI: 10.7270/Q2NP23H4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50051235
PNG
(2-Furan-2-yl-7-(4-phenyl-butyl)-7H-pyrazolo[4,3-e]...)
Show SMILES Nc1nc2n(CCCCc3ccccc3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H19N7O/c21-20-24-18-15(19-23-17(25-27(19)20)16-10-6-12-28-16)13-22-26(18)11-5-4-9-14-7-2-1-3-8-14/h1-3,6-8,10,12-13H,4-5,9,11H2,(H2,21,24)
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21n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal homogenates.


J Med Chem 39: 1164-71 (1996)


Article DOI: 10.1021/jm950746l
BindingDB Entry DOI: 10.7270/Q2NP23H4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50051238
PNG
(2-Furan-2-yl-7-[2-(4-isobutyl-phenyl)-ethyl]-7H-py...)
Show SMILES CC(C)Cc1ccc(CCn2ncc3c4nc(nn4c(N)nc23)-c2ccco2)cc1
Show InChI InChI=1S/C22H23N7O/c1-14(2)12-16-7-5-15(6-8-16)9-10-28-20-17(13-24-28)21-25-19(18-4-3-11-30-18)27-29(21)22(23)26-20/h3-8,11,13-14H,9-10,12H2,1-2H3,(H2,23,26)
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22n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal homogenates.


J Med Chem 39: 1164-71 (1996)


Article DOI: 10.1021/jm950746l
BindingDB Entry DOI: 10.7270/Q2NP23H4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50051230
PNG
(2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1...)
Show SMILES Nc1nc2n[nH]cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C10H7N7O/c11-10-14-7-5(4-12-15-7)9-13-8(16-17(9)10)6-2-1-3-18-6/h1-4H,(H3,11,12,14,15)
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22.6n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal homogenates.


J Med Chem 39: 1164-71 (1996)


Article DOI: 10.1021/jm950746l
BindingDB Entry DOI: 10.7270/Q2NP23H4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50051240
PNG
(2-Furan-2-yl-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]tri...)
Show SMILES Nc1nc2n(ncc2c2nc(nn12)-c1ccco1)-c1ccccc1
Show InChI InChI=1S/C16H11N7O/c17-16-20-15-11(9-18-22(15)10-5-2-1-3-6-10)14-19-13(21-23(14)16)12-7-4-8-24-12/h1-9H,(H2,17,20)
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22.7n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal homogenates.


J Med Chem 39: 1164-71 (1996)


Article DOI: 10.1021/jm950746l
BindingDB Entry DOI: 10.7270/Q2NP23H4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50051242
PNG
(8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]tria...)
Show SMILES CCCCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C14H15N7O/c1-2-3-6-20-8-9-11(18-20)17-14(15)21-13(9)16-12(19-21)10-5-4-7-22-10/h4-5,7-8H,2-3,6H2,1H3,(H2,15,17,18)
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30.4n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CHA binding to Adenosine A1 receptor in rat whole brain homogenates.


J Med Chem 39: 1164-71 (1996)


Article DOI: 10.1021/jm950746l
BindingDB Entry DOI: 10.7270/Q2NP23H4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50051229
PNG
(2-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]tria...)
Show SMILES Nc1nc2n(CCO)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C12H11N7O2/c13-12-16-10-7(6-14-18(10)3-4-20)11-15-9(17-19(11)12)8-2-1-5-21-8/h1-2,5-6,20H,3-4H2,(H2,13,16)
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77.7n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal homogenates.


J Med Chem 39: 1164-71 (1996)


Article DOI: 10.1021/jm950746l
BindingDB Entry DOI: 10.7270/Q2NP23H4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50051243
PNG
(2-Furan-2-yl-7-methyl-7H-pyrazolo[4,3-e][1,2,4]tri...)
Show SMILES Cn1ncc2c1nc(N)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C11H9N7O/c1-17-9-6(5-13-17)10-14-8(7-3-2-4-19-7)16-18(10)11(12)15-9/h2-5H,1H3,(H2,12,15)
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101n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal homogenates.


J Med Chem 39: 1164-71 (1996)


Article DOI: 10.1021/jm950746l
BindingDB Entry DOI: 10.7270/Q2NP23H4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50051237
PNG
(2-Furan-2-yl-7-(2-methyl-butyl)-7H-pyrazolo[4,3-e]...)
Show SMILES CCC(C)Cn1ncc2c1nc(N)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C15H17N7O/c1-3-9(2)8-21-13-10(7-17-21)14-18-12(11-5-4-6-23-11)20-22(14)15(16)19-13/h4-7,9H,3,8H2,1-2H3,(H2,16,19)
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116n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CHA binding to Adenosine A1 receptor in rat whole brain homogenates.


J Med Chem 39: 1164-71 (1996)


Article DOI: 10.1021/jm950746l
BindingDB Entry DOI: 10.7270/Q2NP23H4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50051240
PNG
(2-Furan-2-yl-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]tri...)
Show SMILES Nc1nc2n(ncc2c2nc(nn12)-c1ccco1)-c1ccccc1
Show InChI InChI=1S/C16H11N7O/c17-16-20-15-11(9-18-22(15)10-5-2-1-3-6-10)14-19-13(21-23(14)16)12-7-4-8-24-12/h1-9H,(H2,17,20)
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119n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CHA binding to Adenosine A1 receptor in rat whole brain homogenates.


J Med Chem 39: 1164-71 (1996)


Article DOI: 10.1021/jm950746l
BindingDB Entry DOI: 10.7270/Q2NP23H4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
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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121n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CHA binding to Adenosine A1 receptor in rat whole brain homogenates.


J Med Chem 39: 1164-71 (1996)


Article DOI: 10.1021/jm950746l
BindingDB Entry DOI: 10.7270/Q2NP23H4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50051231
PNG
(2-(5-Benzylamino-2-furan-2-yl-pyrazolo[4,3-e][1,2,...)
Show SMILES OCCn1ncc2c3nc(nn3c(NCc3ccccc3)nc12)-c1ccco1
Show InChI InChI=1S/C19H17N7O2/c27-9-8-25-17-14(12-21-25)18-22-16(15-7-4-10-28-15)24-26(18)19(23-17)20-11-13-5-2-1-3-6-13/h1-7,10,12,27H,8-9,11H2,(H,20,23)
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166n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal homogenates.


J Med Chem 39: 1164-71 (1996)


Article DOI: 10.1021/jm950746l
BindingDB Entry DOI: 10.7270/Q2NP23H4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50051226
PNG
(7-(4-Fluoro-benzyl)-2-furan-2-yl-7H-pyrazolo[4,3-e...)
Show SMILES Nc1nc2n(Cc3ccc(F)cc3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C17H12FN7O/c18-11-5-3-10(4-6-11)9-24-15-12(8-20-24)16-21-14(13-2-1-7-26-13)23-25(16)17(19)22-15/h1-8H,9H2,(H2,19,22)
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189n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CHA binding to Adenosine A1 receptor in rat whole brain homogenates.


J Med Chem 39: 1164-71 (1996)


Article DOI: 10.1021/jm950746l
BindingDB Entry DOI: 10.7270/Q2NP23H4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50051230
PNG
(2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1...)
Show SMILES Nc1nc2n[nH]cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C10H7N7O/c11-10-14-7-5(4-12-15-7)9-13-8(16-17(9)10)6-2-1-3-18-6/h1-4H,(H3,11,12,14,15)
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210n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CHA binding to Adenosine A1 receptor in rat whole brain homogenates.


J Med Chem 39: 1164-71 (1996)


Article DOI: 10.1021/jm950746l
BindingDB Entry DOI: 10.7270/Q2NP23H4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50051227
PNG
(7-Butyl-2-furan-2-yl-7H-pyrazolo[4,3-e][1,2,4]tria...)
Show SMILES CCCCn1ncc2c1nc(N)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C14H15N7O/c1-2-3-6-20-12-9(8-16-20)13-17-11(10-5-4-7-22-10)19-21(13)14(15)18-12/h4-5,7-8H,2-3,6H2,1H3,(H2,15,18)
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236n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CHA binding to Adenosine A1 receptor in rat whole brain homogenates.


J Med Chem 39: 1164-71 (1996)


Article DOI: 10.1021/jm950746l
BindingDB Entry DOI: 10.7270/Q2NP23H4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50051233
PNG
(7-tert-Butyl-2-furan-2-yl-7H-pyrazolo[4,3-e][1,2,4...)
Show SMILES CC(C)(C)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C14H15N7O/c1-14(2,3)21-12-8(7-16-21)11-17-10(9-5-4-6-22-9)19-20(11)13(15)18-12/h4-7H,1-3H3,(H2,15,18)
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260n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal homogenates.


J Med Chem 39: 1164-71 (1996)


Article DOI: 10.1021/jm950746l
BindingDB Entry DOI: 10.7270/Q2NP23H4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50051231
PNG
(2-(5-Benzylamino-2-furan-2-yl-pyrazolo[4,3-e][1,2,...)
Show SMILES OCCn1ncc2c3nc(nn3c(NCc3ccccc3)nc12)-c1ccco1
Show InChI InChI=1S/C19H17N7O2/c27-9-8-25-17-14(12-21-25)18-22-16(15-7-4-10-28-15)24-26(18)19(23-17)20-11-13-5-2-1-3-6-13/h1-7,10,12,27H,8-9,11H2,(H,20,23)
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330n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CHA binding to Adenosine A1 receptor in rat whole brain homogenates.


J Med Chem 39: 1164-71 (1996)


Article DOI: 10.1021/jm950746l
BindingDB Entry DOI: 10.7270/Q2NP23H4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50051233
PNG
(7-tert-Butyl-2-furan-2-yl-7H-pyrazolo[4,3-e][1,2,4...)
Show SMILES CC(C)(C)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C14H15N7O/c1-14(2,3)21-12-8(7-16-21)11-17-10(9-5-4-6-22-9)19-20(11)13(15)18-12/h4-7H,1-3H3,(H2,15,18)
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430n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CHA binding to Adenosine A1 receptor in rat whole brain homogenates.


J Med Chem 39: 1164-71 (1996)


Article DOI: 10.1021/jm950746l
BindingDB Entry DOI: 10.7270/Q2NP23H4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50051228
PNG
(2-Furan-2-yl-7-(2-morpholin-4-yl-ethyl)-7H-pyrazol...)
Show SMILES Nc1nc2n(CCN3CCOCC3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H18N8O2/c17-16-20-14-11(10-18-23(14)4-3-22-5-8-25-9-6-22)15-19-13(21-24(15)16)12-2-1-7-26-12/h1-2,7,10H,3-6,8-9H2,(H2,17,20)
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471n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CHA binding to Adenosine A1 receptor in rat whole brain homogenates.


J Med Chem 39: 1164-71 (1996)


Article DOI: 10.1021/jm950746l
BindingDB Entry DOI: 10.7270/Q2NP23H4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
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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504n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CHA binding to Adenosine A1 receptor in rat whole brain homogenates.


J Med Chem 39: 1164-71 (1996)


Article DOI: 10.1021/jm950746l
BindingDB Entry DOI: 10.7270/Q2NP23H4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50051243
PNG
(2-Furan-2-yl-7-methyl-7H-pyrazolo[4,3-e][1,2,4]tri...)
Show SMILES Cn1ncc2c1nc(N)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C11H9N7O/c1-17-9-6(5-13-17)10-14-8(7-3-2-4-19-7)16-18(10)11(12)15-9/h2-5H,1H3,(H2,12,15)
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651n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CHA binding to Adenosine A1 receptor in rat whole brain homogenates.


J Med Chem 39: 1164-71 (1996)


Article DOI: 10.1021/jm950746l
BindingDB Entry DOI: 10.7270/Q2NP23H4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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706n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal homogenates.


J Med Chem 39: 1164-71 (1996)


Article DOI: 10.1021/jm950746l
BindingDB Entry DOI: 10.7270/Q2NP23H4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50051229
PNG
(2-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]tria...)
Show SMILES Nc1nc2n(CCO)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C12H11N7O2/c13-12-16-10-7(6-14-18(10)3-4-20)11-15-9(17-19(11)12)8-2-1-5-21-8/h1-2,5-6,20H,3-4H2,(H2,13,16)
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978n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CHA binding to Adenosine A1 receptor in rat whole brain homogenates.


J Med Chem 39: 1164-71 (1996)


Article DOI: 10.1021/jm950746l
BindingDB Entry DOI: 10.7270/Q2NP23H4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50051236
PNG
(7-(2-Benzyloxy-ethyl)-2-furan-2-yl-7H-pyrazolo[4,3...)
Show SMILES Nc1nc2n(CCOCc3ccccc3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C19H17N7O2/c20-19-23-17-14(18-22-16(24-26(18)19)15-7-4-9-28-15)11-21-25(17)8-10-27-12-13-5-2-1-3-6-13/h1-7,9,11H,8,10,12H2,(H2,20,23)
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>1.00E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal homogenates.


J Med Chem 39: 1164-71 (1996)


Article DOI: 10.1021/jm950746l
BindingDB Entry DOI: 10.7270/Q2NP23H4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50051236
PNG
(7-(2-Benzyloxy-ethyl)-2-furan-2-yl-7H-pyrazolo[4,3...)
Show SMILES Nc1nc2n(CCOCc3ccccc3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C19H17N7O2/c20-19-23-17-14(18-22-16(24-26(18)19)15-7-4-9-28-15)11-21-25(17)8-10-27-12-13-5-2-1-3-6-13/h1-7,9,11H,8,10,12H2,(H2,20,23)
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>1.00E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CHA binding to Adenosine A1 receptor in rat whole brain homogenates.


J Med Chem 39: 1164-71 (1996)


Article DOI: 10.1021/jm950746l
BindingDB Entry DOI: 10.7270/Q2NP23H4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50051235
PNG
(2-Furan-2-yl-7-(4-phenyl-butyl)-7H-pyrazolo[4,3-e]...)
Show SMILES Nc1nc2n(CCCCc3ccccc3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H19N7O/c21-20-24-18-15(19-23-17(25-27(19)20)16-10-6-12-28-16)13-22-26(18)11-5-4-9-14-7-2-1-3-8-14/h1-3,6-8,10,12-13H,4-5,9,11H2,(H2,21,24)
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2.71E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CHA binding to Adenosine A1 receptor in rat whole brain homogenates.


J Med Chem 39: 1164-71 (1996)


Article DOI: 10.1021/jm950746l
BindingDB Entry DOI: 10.7270/Q2NP23H4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50051238
PNG
(2-Furan-2-yl-7-[2-(4-isobutyl-phenyl)-ethyl]-7H-py...)
Show SMILES CC(C)Cc1ccc(CCn2ncc3c4nc(nn4c(N)nc23)-c2ccco2)cc1
Show InChI InChI=1S/C22H23N7O/c1-14(2)12-16-7-5-15(6-8-16)9-10-28-20-17(13-24-28)21-25-19(18-4-3-11-30-18)27-29(21)22(23)26-20/h3-8,11,13-14H,9-10,12H2,1-2H3,(H2,23,26)
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>3.00E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CHA binding to Adenosine A1 receptor in rat whole brain homogenates.


J Med Chem 39: 1164-71 (1996)


Article DOI: 10.1021/jm950746l
BindingDB Entry DOI: 10.7270/Q2NP23H4
More data for this
Ligand-Target Pair