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Compile Data Set for Download or QSAR

Found 313 hits with Last Name = 'simoni' and Initial = 'd'   
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 Receptors A2a (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



TBA

Curated by ChEMBL


Assay Description
Dissplacement of [3H]-CGS- from Adenosine A2a receptor of rat striatal homogenate


Bioorg Med Chem Lett 4: 2539-2544 (1994)


Article DOI: 10.1016/S0960-894X(01)80279-1
BindingDB Entry DOI: 10.7270/Q2Q81D1P
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (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



TBA

Curated by ChEMBL


Assay Description
Binding ability of adenosine A2a receptor by using [3H]-CGS- as radioligand in rat striatal homogenate


Bioorg Med Chem Lett 4: 2539-2544 (1994)


Article DOI: 10.1016/S0960-894X(01)80279-1
BindingDB Entry DOI: 10.7270/Q2Q81D1P
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (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



TBA

Curated by ChEMBL


Assay Description
Binding ability of adenosine A2a receptor by using [3H]-CGS- as radioligand in rat striatal homogenate


Bioorg Med Chem Lett 4: 2539-2544 (1994)


Article DOI: 10.1016/S0960-894X(01)80279-1
BindingDB Entry DOI: 10.7270/Q2Q81D1P
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50007848
PNG
(8-Cyclopropyl-1,3-dipropyl-3,7-dihydro-purine-2,6-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CC1
Show InChI InChI=1S/C14H20N4O2/c1-3-7-17-12-10(15-11(16-12)9-5-6-9)13(19)18(8-4-2)14(17)20/h9H,3-8H2,1-2H3,(H,15,16)
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1.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding ability of adenosine A1 receptor by using [3H]-CHA as radioligand in rat whole brain homogenate


Bioorg Med Chem Lett 4: 2539-2544 (1994)


Article DOI: 10.1016/S0960-894X(01)80279-1
BindingDB Entry DOI: 10.7270/Q2Q81D1P
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (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



TBA

Curated by ChEMBL


Assay Description
Binding ability of adenosine A2a receptor by using [3H]-CGS- as radioligand in rat striatal homogenate


Bioorg Med Chem Lett 4: 2539-2544 (1994)


Article DOI: 10.1016/S0960-894X(01)80279-1
BindingDB Entry DOI: 10.7270/Q2Q81D1P
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (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



TBA

Curated by ChEMBL


Assay Description
Binding ability of adenosine A2a receptor by using [3H]-CGS- as radioligand in rat striatal homogenate


Bioorg Med Chem Lett 4: 2539-2544 (1994)


Article DOI: 10.1016/S0960-894X(01)80279-1
BindingDB Entry DOI: 10.7270/Q2Q81D1P
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (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



TBA

Curated by ChEMBL


Assay Description
Binding ability of adenosine A2a receptor by using [3H]-CGS- as radioligand in rat striatal homogenate


Bioorg Med Chem Lett 4: 2539-2544 (1994)


Article DOI: 10.1016/S0960-894X(01)80279-1
BindingDB Entry DOI: 10.7270/Q2Q81D1P
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50283532
PNG
(2-(4-Fluoro-benzyl)-8-furan-2-yl-2H-[1,2,3]triazol...)
Show SMILES Nc1nc2nn(Cc3ccc(F)cc3)nc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H11FN8O/c17-10-5-3-9(4-6-10)8-24-21-12-14(22-24)20-16(18)25-15(12)19-13(23-25)11-2-1-7-26-11/h1-7H,8H2,(H2,18,20,22)
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2.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding ability of adenosine A2a receptor by using [3H]-CGS- as radioligand in rat striatal homogenate


Bioorg Med Chem Lett 4: 2539-2544 (1994)


Article DOI: 10.1016/S0960-894X(01)80279-1
BindingDB Entry DOI: 10.7270/Q2Q81D1P
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



TBA

Curated by ChEMBL


Assay Description
Binding ability of adenosine A1 receptor by using [3H]-CHA as radioligand in rat whole brain homogenate


Bioorg Med Chem Lett 4: 2539-2544 (1994)


Article DOI: 10.1016/S0960-894X(01)80279-1
BindingDB Entry DOI: 10.7270/Q2Q81D1P
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50283529
PNG
(3-Benzyl-8-furan-2-yl-3H-[1,2,3]triazolo[4,5-e][1,...)
Show SMILES Nc1nc2n(Cc3ccccc3)nnc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H12N8O/c17-16-19-14-12(20-22-23(14)9-10-5-2-1-3-6-10)15-18-13(21-24(15)16)11-7-4-8-25-11/h1-8H,9H2,(H2,17,19)
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4.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding ability of adenosine A2a receptor by using [3H]-CGS- as radioligand in rat striatal homogenate


Bioorg Med Chem Lett 4: 2539-2544 (1994)


Article DOI: 10.1016/S0960-894X(01)80279-1
BindingDB Entry DOI: 10.7270/Q2Q81D1P
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



TBA

Curated by ChEMBL


Assay Description
Binding ability of adenosine A1 receptor by using [3H]-CHA as radioligand in rat whole brain homogenate


Bioorg Med Chem Lett 4: 2539-2544 (1994)


Article DOI: 10.1016/S0960-894X(01)80279-1
BindingDB Entry DOI: 10.7270/Q2Q81D1P
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50283526
PNG
(3-(3-Fluoro-benzyl)-8-furan-2-yl-3H-[1,2,3]triazol...)
Show SMILES Nc1nc2n(Cc3cccc(F)c3)nnc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H11FN8O/c17-10-4-1-3-9(7-10)8-24-14-12(21-23-24)15-19-13(11-5-2-6-26-11)22-25(15)16(18)20-14/h1-7H,8H2,(H2,18,20)
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4.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding ability of adenosine A2a receptor by using [3H]-CGS- as radioligand in rat striatal homogenate


Bioorg Med Chem Lett 4: 2539-2544 (1994)


Article DOI: 10.1016/S0960-894X(01)80279-1
BindingDB Entry DOI: 10.7270/Q2Q81D1P
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



TBA

Curated by ChEMBL


Assay Description
Binding ability of adenosine A1 receptor by using [3H]-CHA as radioligand in rat whole brain homogenate


Bioorg Med Chem Lett 4: 2539-2544 (1994)


Article DOI: 10.1016/S0960-894X(01)80279-1
BindingDB Entry DOI: 10.7270/Q2Q81D1P
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50283529
PNG
(3-Benzyl-8-furan-2-yl-3H-[1,2,3]triazolo[4,5-e][1,...)
Show SMILES Nc1nc2n(Cc3ccccc3)nnc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H12N8O/c17-16-19-14-12(20-22-23(14)9-10-5-2-1-3-6-10)15-18-13(21-24(15)16)11-7-4-8-25-11/h1-8H,9H2,(H2,17,19)
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6.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding ability of adenosine A1 receptor by using [3H]-CHA as radioligand in rat whole brain homogenate


Bioorg Med Chem Lett 4: 2539-2544 (1994)


Article DOI: 10.1016/S0960-894X(01)80279-1
BindingDB Entry DOI: 10.7270/Q2Q81D1P
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



TBA

Curated by ChEMBL


Assay Description
Binding ability of adenosine A1 receptor by using [3H]-CHA as radioligand in rat whole brain homogenate


Bioorg Med Chem Lett 4: 2539-2544 (1994)


Article DOI: 10.1016/S0960-894X(01)80279-1
BindingDB Entry DOI: 10.7270/Q2Q81D1P
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50283528
PNG
(8-Furan-2-yl-3-phenethyl-3H-[1,2,3]triazolo[4,5-e]...)
Show SMILES Nc1nc2n(CCc3ccccc3)nnc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C17H14N8O/c18-17-20-15-13(16-19-14(22-25(16)17)12-7-4-10-26-12)21-23-24(15)9-8-11-5-2-1-3-6-11/h1-7,10H,8-9H2,(H2,18,20)
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6.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding ability of adenosine A2a receptor by using [3H]-CGS- as radioligand in rat striatal homogenate


Bioorg Med Chem Lett 4: 2539-2544 (1994)


Article DOI: 10.1016/S0960-894X(01)80279-1
BindingDB Entry DOI: 10.7270/Q2Q81D1P
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (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



TBA

Curated by ChEMBL


Assay Description
Binding ability of adenosine A2a receptor by using [3H]-CGS- as radioligand in rat striatal homogenate


Bioorg Med Chem Lett 4: 2539-2544 (1994)


Article DOI: 10.1016/S0960-894X(01)80279-1
BindingDB Entry DOI: 10.7270/Q2Q81D1P
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50283527
PNG
(3-(2-Fluoro-benzyl)-8-furan-2-yl-3H-[1,2,3]triazol...)
Show SMILES Nc1nc2n(Cc3ccccc3F)nnc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H11FN8O/c17-10-5-2-1-4-9(10)8-24-14-12(21-23-24)15-19-13(11-6-3-7-26-11)22-25(15)16(18)20-14/h1-7H,8H2,(H2,18,20)
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10.4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding ability of adenosine A2a receptor by using [3H]-CGS- as radioligand in rat striatal homogenate


Bioorg Med Chem Lett 4: 2539-2544 (1994)


Article DOI: 10.1016/S0960-894X(01)80279-1
BindingDB Entry DOI: 10.7270/Q2Q81D1P
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50283530
PNG
(2-Furan-2-yl-7-(3-methyl-butyl)-7H-pyrazolo[4,3-e]...)
Show SMILES CC(C)CCn1ncc2c1nc(N)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C15H17N7O/c1-9(2)5-6-21-13-10(8-17-21)14-18-12(11-4-3-7-23-11)20-22(14)15(16)19-13/h3-4,7-9H,5-6H2,1-2H3,(H2,16,19)
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12n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding ability of adenosine A2a receptor by using [3H]-CGS- as radioligand in rat striatal homogenate


Bioorg Med Chem Lett 4: 2539-2544 (1994)


Article DOI: 10.1016/S0960-894X(01)80279-1
BindingDB Entry DOI: 10.7270/Q2Q81D1P
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50283531
PNG
(3-(4-Fluoro-benzyl)-8-furan-2-yl-3H-[1,2,3]triazol...)
Show SMILES Nc1nc2n(Cc3ccc(F)cc3)nnc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H11FN8O/c17-10-5-3-9(4-6-10)8-24-14-12(21-23-24)15-19-13(11-2-1-7-26-11)22-25(15)16(18)20-14/h1-7H,8H2,(H2,18,20)
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13.7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding ability of adenosine A2a receptor by using [3H]-CGS- as radioligand in rat striatal homogenate


Bioorg Med Chem Lett 4: 2539-2544 (1994)


Article DOI: 10.1016/S0960-894X(01)80279-1
BindingDB Entry DOI: 10.7270/Q2Q81D1P
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50283527
PNG
(3-(2-Fluoro-benzyl)-8-furan-2-yl-3H-[1,2,3]triazol...)
Show SMILES Nc1nc2n(Cc3ccccc3F)nnc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H11FN8O/c17-10-5-2-1-4-9(10)8-24-14-12(21-23-24)15-19-13(11-6-3-7-26-11)22-25(15)16(18)20-14/h1-7H,8H2,(H2,18,20)
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13.7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding ability of adenosine A1 receptor by using [3H]-CHA as radioligand in rat whole brain homogenate


Bioorg Med Chem Lett 4: 2539-2544 (1994)


Article DOI: 10.1016/S0960-894X(01)80279-1
BindingDB Entry DOI: 10.7270/Q2Q81D1P
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50283532
PNG
(2-(4-Fluoro-benzyl)-8-furan-2-yl-2H-[1,2,3]triazol...)
Show SMILES Nc1nc2nn(Cc3ccc(F)cc3)nc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H11FN8O/c17-10-5-3-9(4-6-10)8-24-21-12-14(22-24)20-16(18)25-15(12)19-13(23-25)11-2-1-7-26-11/h1-7H,8H2,(H2,18,20,22)
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18.3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding ability of adenosine A1 receptor by using [3H]-CHA as radioligand in rat whole brain homogenate


Bioorg Med Chem Lett 4: 2539-2544 (1994)


Article DOI: 10.1016/S0960-894X(01)80279-1
BindingDB Entry DOI: 10.7270/Q2Q81D1P
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50283526
PNG
(3-(3-Fluoro-benzyl)-8-furan-2-yl-3H-[1,2,3]triazol...)
Show SMILES Nc1nc2n(Cc3cccc(F)c3)nnc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H11FN8O/c17-10-4-1-3-9(7-10)8-24-14-12(21-23-24)15-19-13(11-5-2-6-26-11)22-25(15)16(18)20-14/h1-7H,8H2,(H2,18,20)
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19n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding ability of adenosine A1 receptor by using [3H]-CHA as radioligand in rat whole brain homogenate


Bioorg Med Chem Lett 4: 2539-2544 (1994)


Article DOI: 10.1016/S0960-894X(01)80279-1
BindingDB Entry DOI: 10.7270/Q2Q81D1P
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



TBA

Curated by ChEMBL


Assay Description
Binding ability of adenosine A1 receptor by using [3H]-CHA as radioligand in rat whole brain homogenate


Bioorg Med Chem Lett 4: 2539-2544 (1994)


Article DOI: 10.1016/S0960-894X(01)80279-1
BindingDB Entry DOI: 10.7270/Q2Q81D1P
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50283528
PNG
(8-Furan-2-yl-3-phenethyl-3H-[1,2,3]triazolo[4,5-e]...)
Show SMILES Nc1nc2n(CCc3ccccc3)nnc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C17H14N8O/c18-17-20-15-13(16-19-14(22-25(16)17)12-7-4-10-26-12)21-23-24(15)9-8-11-5-2-1-3-6-11/h1-7,10H,8-9H2,(H2,18,20)
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42.4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding ability of adenosine A1 receptor by using [3H]-CHA as radioligand in rat whole brain homogenate


Bioorg Med Chem Lett 4: 2539-2544 (1994)


Article DOI: 10.1016/S0960-894X(01)80279-1
BindingDB Entry DOI: 10.7270/Q2Q81D1P
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50283531
PNG
(3-(4-Fluoro-benzyl)-8-furan-2-yl-3H-[1,2,3]triazol...)
Show SMILES Nc1nc2n(Cc3ccc(F)cc3)nnc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H11FN8O/c17-10-5-3-9(4-6-10)8-24-14-12(21-23-24)15-19-13(11-2-1-7-26-11)22-25(15)16(18)20-14/h1-7H,8H2,(H2,18,20)
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61.2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding ability of adenosine A1 receptor by using [3H]-CHA as radioligand in rat whole brain homogenate


Bioorg Med Chem Lett 4: 2539-2544 (1994)


Article DOI: 10.1016/S0960-894X(01)80279-1
BindingDB Entry DOI: 10.7270/Q2Q81D1P
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (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



TBA

Curated by ChEMBL


Assay Description
Binding ability of adenosine A2a receptor by using [3H]-CGS- as radioligand in rat striatal homogenate


Bioorg Med Chem Lett 4: 2539-2544 (1994)


Article DOI: 10.1016/S0960-894X(01)80279-1
BindingDB Entry DOI: 10.7270/Q2Q81D1P
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50283530
PNG
(2-Furan-2-yl-7-(3-methyl-butyl)-7H-pyrazolo[4,3-e]...)
Show SMILES CC(C)CCn1ncc2c1nc(N)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C15H17N7O/c1-9(2)5-6-21-13-10(8-17-21)14-18-12(11-4-3-7-23-11)20-22(14)15(16)19-13/h3-4,7-9H,5-6H2,1-2H3,(H2,16,19)
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116n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding ability of adenosine A1 receptor by using [3H]-CHA as radioligand in rat whole brain homogenate


Bioorg Med Chem Lett 4: 2539-2544 (1994)


Article DOI: 10.1016/S0960-894X(01)80279-1
BindingDB Entry DOI: 10.7270/Q2Q81D1P
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



TBA

Curated by ChEMBL


Assay Description
Binding ability of adenosine A1 receptor by using [3H]-CHA as radioligand in rat whole brain homogenate


Bioorg Med Chem Lett 4: 2539-2544 (1994)


Article DOI: 10.1016/S0960-894X(01)80279-1
BindingDB Entry DOI: 10.7270/Q2Q81D1P
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



TBA

Curated by ChEMBL


Assay Description
Binding ability of adenosine A1 receptor by using [3H]-CHA as radioligand in rat whole brain homogenate


Bioorg Med Chem Lett 4: 2539-2544 (1994)


Article DOI: 10.1016/S0960-894X(01)80279-1
BindingDB Entry DOI: 10.7270/Q2Q81D1P
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM22418
PNG
(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)N2C |TLB:18:6:22:3.2|
Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1
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280n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL




Bioorg Med Chem Lett 9: 1831-6 (1999)


BindingDB Entry DOI: 10.7270/Q2KS6S3Z
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM22418
PNG
(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)N2C |TLB:18:6:22:3.2|
Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1
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320n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake of [3H]dopamine into striatal nerve endings (synaptosomes)


Bioorg Med Chem Lett 9: 1831-6 (1999)


BindingDB Entry DOI: 10.7270/Q2KS6S3Z
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50366600
PNG
(CHEMBL301281)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)N2 |r,TLB:11:10:20:6.7,THB:2:4:20:6.7|
Show InChI InChI=1S/C16H19NO4/c1-20-16(19)14-12-8-7-11(17-12)9-13(14)21-15(18)10-5-3-2-4-6-10/h2-6,11-14,17H,7-9H2,1H3/t11?,12?,13-,14+/m0/s1
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540n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine transporter using [3H]- mazindol as radioligand in rat striatal membranes


Bioorg Med Chem Lett 9: 1831-6 (1999)


BindingDB Entry DOI: 10.7270/Q2KS6S3Z
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



TBA

Curated by ChEMBL


Assay Description
Binding ability of adenosine A1 receptor by using [3H]-CHA as radioligand in rat whole brain homogenate


Bioorg Med Chem Lett 4: 2539-2544 (1994)


Article DOI: 10.1016/S0960-894X(01)80279-1
BindingDB Entry DOI: 10.7270/Q2Q81D1P
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50007848
PNG
(8-Cyclopropyl-1,3-dipropyl-3,7-dihydro-purine-2,6-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CC1
Show InChI InChI=1S/C14H20N4O2/c1-3-7-17-12-10(15-11(16-12)9-5-6-9)13(19)18(8-4-2)14(17)20/h9H,3-8H2,1-2H3,(H,15,16)
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706n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dissplacement of [3H]-CGS- from Adenosine A2a receptor of rat striatal homogenate


Bioorg Med Chem Lett 4: 2539-2544 (1994)


Article DOI: 10.1016/S0960-894X(01)80279-1
BindingDB Entry DOI: 10.7270/Q2Q81D1P
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50366600
PNG
(CHEMBL301281)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)N2 |r,TLB:11:10:20:6.7,THB:2:4:20:6.7|
Show InChI InChI=1S/C16H19NO4/c1-20-16(19)14-12-8-7-11(17-12)9-13(14)21-15(18)10-5-3-2-4-6-10/h2-6,11-14,17H,7-9H2,1H3/t11?,12?,13-,14+/m0/s1
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2.00E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake of [3H]dopamine into striatal nerve endings (synaptosomes)


Bioorg Med Chem Lett 9: 1831-6 (1999)


BindingDB Entry DOI: 10.7270/Q2KS6S3Z
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50078779
PNG
((2R,3S)-3-Benzoyloxy-8-oxa-bicyclo[3.2.1]octane-2-...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)O2 |THB:11:10:20:6.7,2:4:20:6.7|
Show InChI InChI=1S/C16H18O5/c1-19-16(18)14-12-8-7-11(20-12)9-13(14)21-15(17)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11?,12?,13-,14+/m0/s1
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3.10E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine transporter using [3H]- mazindol as radioligand in rat striatal membranes


Bioorg Med Chem Lett 9: 1831-6 (1999)


BindingDB Entry DOI: 10.7270/Q2KS6S3Z
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50078779
PNG
((2R,3S)-3-Benzoyloxy-8-oxa-bicyclo[3.2.1]octane-2-...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)O2 |THB:11:10:20:6.7,2:4:20:6.7|
Show InChI InChI=1S/C16H18O5/c1-19-16(18)14-12-8-7-11(20-12)9-13(14)21-15(17)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11?,12?,13-,14+/m0/s1
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4.20E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL




Bioorg Med Chem Lett 9: 1831-6 (1999)


BindingDB Entry DOI: 10.7270/Q2KS6S3Z
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50078782
PNG
((2S,3S)-3-Benzoyloxy-8-oxa-bicyclo[3.2.1]octane-2-...)
Show SMILES COC(=O)[C@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)O2 |THB:11:10:20:6.7,2:4:20:6.7|
Show InChI InChI=1S/C16H18O5/c1-19-16(18)14-12-8-7-11(20-12)9-13(14)21-15(17)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11?,12?,13-,14-/m0/s1
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4.70E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL




Bioorg Med Chem Lett 9: 1831-6 (1999)


BindingDB Entry DOI: 10.7270/Q2KS6S3Z
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50078782
PNG
((2S,3S)-3-Benzoyloxy-8-oxa-bicyclo[3.2.1]octane-2-...)
Show SMILES COC(=O)[C@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)O2 |THB:11:10:20:6.7,2:4:20:6.7|
Show InChI InChI=1S/C16H18O5/c1-19-16(18)14-12-8-7-11(20-12)9-13(14)21-15(17)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11?,12?,13-,14-/m0/s1
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6.00E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake of [3H]dopamine into striatal nerve endings (synaptosomes)


Bioorg Med Chem Lett 9: 1831-6 (1999)


BindingDB Entry DOI: 10.7270/Q2KS6S3Z
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50078779
PNG
((2R,3S)-3-Benzoyloxy-8-oxa-bicyclo[3.2.1]octane-2-...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)O2 |THB:11:10:20:6.7,2:4:20:6.7|
Show InChI InChI=1S/C16H18O5/c1-19-16(18)14-12-8-7-11(20-12)9-13(14)21-15(17)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11?,12?,13-,14+/m0/s1
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8.50E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL




Bioorg Med Chem Lett 9: 1831-6 (1999)


BindingDB Entry DOI: 10.7270/Q2KS6S3Z
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50078779
PNG
((2R,3S)-3-Benzoyloxy-8-oxa-bicyclo[3.2.1]octane-2-...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)O2 |THB:11:10:20:6.7,2:4:20:6.7|
Show InChI InChI=1S/C16H18O5/c1-19-16(18)14-12-8-7-11(20-12)9-13(14)21-15(17)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11?,12?,13-,14+/m0/s1
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9.40E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL




Bioorg Med Chem Lett 9: 1831-6 (1999)


BindingDB Entry DOI: 10.7270/Q2KS6S3Z
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50005560
PNG
(3-Benzoyloxy-8-methyl-8-azonia-bicyclo[3.2.1]octan...)
Show SMILES COC(=O)[C@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)N2 |r,TLB:11:10:6.7:20,THB:2:4:6.7:20|
Show InChI InChI=1S/C16H19NO4/c1-20-16(19)14-12-8-7-11(17-12)9-13(14)21-15(18)10-5-3-2-4-6-10/h2-6,11-14,17H,7-9H2,1H3/t11?,12?,13-,14-/m0/s1
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1.04E+4n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine transporter using [3H]- mazindol as radioligand in rat striatal membranes


Bioorg Med Chem Lett 9: 1831-6 (1999)


BindingDB Entry DOI: 10.7270/Q2KS6S3Z
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50005560
PNG
(3-Benzoyloxy-8-methyl-8-azonia-bicyclo[3.2.1]octan...)
Show SMILES COC(=O)[C@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)N2 |r,TLB:11:10:6.7:20,THB:2:4:6.7:20|
Show InChI InChI=1S/C16H19NO4/c1-20-16(19)14-12-8-7-11(17-12)9-13(14)21-15(18)10-5-3-2-4-6-10/h2-6,11-14,17H,7-9H2,1H3/t11?,12?,13-,14-/m0/s1
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1.38E+4n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL




Bioorg Med Chem Lett 9: 1831-6 (1999)


BindingDB Entry DOI: 10.7270/Q2KS6S3Z
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50078778
PNG
((2R,3R)-3-Benzoyloxy-8-oxa-bicyclo[3.2.1]octane-2-...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@H]1OC(=O)c1ccccc1)O2 |TLB:11:10:20:6.7,THB:2:4:20:6.7|
Show InChI InChI=1S/C16H18O5/c1-19-16(18)14-12-8-7-11(20-12)9-13(14)21-15(17)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11?,12?,13-,14-/m1/s1
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2.30E+4n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake of [3H]dopamine into striatal nerve endings (synaptosomes)


Bioorg Med Chem Lett 9: 1831-6 (1999)


BindingDB Entry DOI: 10.7270/Q2KS6S3Z
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50078782
PNG
((2S,3S)-3-Benzoyloxy-8-oxa-bicyclo[3.2.1]octane-2-...)
Show SMILES COC(=O)[C@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)O2 |THB:11:10:20:6.7,2:4:20:6.7|
Show InChI InChI=1S/C16H18O5/c1-19-16(18)14-12-8-7-11(20-12)9-13(14)21-15(17)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11?,12?,13-,14-/m0/s1
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2.94E+4n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine transporter using [3H]- mazindol as radioligand in rat striatal membranes


Bioorg Med Chem Lett 9: 1831-6 (1999)


BindingDB Entry DOI: 10.7270/Q2KS6S3Z
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50078778
PNG
((2R,3R)-3-Benzoyloxy-8-oxa-bicyclo[3.2.1]octane-2-...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@H]1OC(=O)c1ccccc1)O2 |TLB:11:10:20:6.7,THB:2:4:20:6.7|
Show InChI InChI=1S/C16H18O5/c1-19-16(18)14-12-8-7-11(20-12)9-13(14)21-15(17)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11?,12?,13-,14-/m1/s1
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3.40E+4n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine transporter using [3H]- mazindol as radioligand in rat striatal membranes


Bioorg Med Chem Lett 9: 1831-6 (1999)


BindingDB Entry DOI: 10.7270/Q2KS6S3Z
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50078781
PNG
((2S,3R)-3-Benzoyloxy-8-oxa-bicyclo[3.2.1]octane-2-...)
Show SMILES COC(=O)[C@H]1C2CCC(C[C@H]1OC(=O)c1ccccc1)O2 |TLB:11:10:20:6.7,THB:2:4:20:6.7|
Show InChI InChI=1S/C16H18O5/c1-19-16(18)14-12-8-7-11(20-12)9-13(14)21-15(17)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11?,12?,13-,14+/m1/s1
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3.50E+4n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake of [3H]dopamine into striatal nerve endings (synaptosomes)


Bioorg Med Chem Lett 9: 1831-6 (1999)


BindingDB Entry DOI: 10.7270/Q2KS6S3Z
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50078781
PNG
((2S,3R)-3-Benzoyloxy-8-oxa-bicyclo[3.2.1]octane-2-...)
Show SMILES COC(=O)[C@H]1C2CCC(C[C@H]1OC(=O)c1ccccc1)O2 |TLB:11:10:20:6.7,THB:2:4:20:6.7|
Show InChI InChI=1S/C16H18O5/c1-19-16(18)14-12-8-7-11(20-12)9-13(14)21-15(17)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11?,12?,13-,14+/m1/s1
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3.80E+4n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake of [3H]dopamine into striatal nerve endings (synaptosomes)


Bioorg Med Chem Lett 9: 1831-6 (1999)


BindingDB Entry DOI: 10.7270/Q2KS6S3Z
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50078782
PNG
((2S,3S)-3-Benzoyloxy-8-oxa-bicyclo[3.2.1]octane-2-...)
Show SMILES COC(=O)[C@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)O2 |THB:11:10:20:6.7,2:4:20:6.7|
Show InChI InChI=1S/C16H18O5/c1-19-16(18)14-12-8-7-11(20-12)9-13(14)21-15(17)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11?,12?,13-,14-/m0/s1
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4.77E+4n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine transporter using [3H]- mazindol as radioligand in rat striatal membranes


Bioorg Med Chem Lett 9: 1831-6 (1999)


BindingDB Entry DOI: 10.7270/Q2KS6S3Z
More data for this
Ligand-Target Pair
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