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PubMed code 8411004

Compile data set for download or QSAR
Found 42 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
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50035738
PNG
((R)-3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C
Show InChI InChI=1S/C16H20ClNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3
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n/an/a 1.10n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine transporter by displacement of [3H]WIN-35428 radioligand from rat brain


J Med Chem 36: 2886-90 (1993)


Article DOI: 10.1021/jm00072a007
BindingDB Entry DOI: 10.7270/Q26H4J2P
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50006786
PNG
(3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]o...)
Show SMILES CC(C)OC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(Cl)cc1)N2C
Show InChI InChI=1S/C18H24ClNO2/c1-11(2)22-18(21)17-15(12-4-6-13(19)7-5-12)10-14-8-9-16(17)20(14)3/h4-7,11,14-17H,8-10H2,1-3H3/t14-,15-,16?,17+/m1/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine transporter by displacement of [3H]WIN-35428 radioligand from rat brain


J Med Chem 36: 2886-90 (1993)


Article DOI: 10.1021/jm00072a007
BindingDB Entry DOI: 10.7270/Q26H4J2P
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50033128
PNG
(3-(4-Chloro-phenyl)-8-methyl-2-(3-phenyl-[1,2,4]ox...)
Show SMILES CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)c1nc(no1)-c1ccccc1
Show InChI InChI=1S/C22H22ClN3O/c1-26-17-11-12-19(26)20(18(13-17)14-7-9-16(23)10-8-14)22-24-21(25-27-22)15-5-3-2-4-6-15/h2-10,17-20H,11-13H2,1H3
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n/an/a 1.60n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine transporter by displacement of [3H]WIN-35428 radioligand from rat brain


J Med Chem 36: 2886-90 (1993)


Article DOI: 10.1021/jm00072a007
BindingDB Entry DOI: 10.7270/Q26H4J2P
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50045827
PNG
(3-(4-Chloro-phenyl)-2-[3-(4-methoxy-phenyl)-[1,2,4...)
Show SMILES COc1ccc(cc1)-c1noc(n1)C1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C
Show InChI InChI=1S/C23H24ClN3O2/c1-27-17-9-12-20(27)21(19(13-17)14-3-7-16(24)8-4-14)23-25-22(26-29-23)15-5-10-18(28-2)11-6-15/h3-8,10-11,17,19-21H,9,12-13H2,1-2H3/t17?,19-,20?,21?/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine transporter by displacement of [3H]WIN-35428 radioligand from rat brain


J Med Chem 36: 2886-90 (1993)


Article DOI: 10.1021/jm00072a007
BindingDB Entry DOI: 10.7270/Q26H4J2P
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50033127
PNG
(3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]o...)
Show SMILES CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)Oc1ccccc1
Show InChI InChI=1S/C21H22ClNO2/c1-23-16-11-12-19(23)20(21(24)25-17-5-3-2-4-6-17)18(13-16)14-7-9-15(22)10-8-14/h2-10,16,18-20H,11-13H2,1H3
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine transporter by displacement of [3H]WIN-35428 radioligand from rat brain


J Med Chem 36: 2886-90 (1993)


Article DOI: 10.1021/jm00072a007
BindingDB Entry DOI: 10.7270/Q26H4J2P
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50045826
PNG
(8-Methyl-2-(3-phenyl-[1,2,4]oxadiazol-5-yl)-3-p-to...)
Show SMILES CN1C2CCC1C([C@H](C2)c1ccc(C)cc1)c1nc(no1)-c1ccccc1
Show InChI InChI=1S/C23H25N3O/c1-15-8-10-16(11-9-15)19-14-18-12-13-20(26(18)2)21(19)23-24-22(25-27-23)17-6-4-3-5-7-17/h3-11,18-21H,12-14H2,1-2H3/t18?,19-,20?,21?/m1/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine transporter by displacement of [3H]WIN-35428 radioligand from rat brain


J Med Chem 36: 2886-90 (1993)


Article DOI: 10.1021/jm00072a007
BindingDB Entry DOI: 10.7270/Q26H4J2P
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50006775
PNG
(8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]octane-2-ca...)
Show SMILES CN1[C@@H]2CCC1[C@H]([C@H](C2)c1ccc(C)cc1)C(=O)Oc1ccccc1
Show InChI InChI=1S/C22H25NO2/c1-15-8-10-16(11-9-15)19-14-17-12-13-20(23(17)2)21(19)22(24)25-18-6-4-3-5-7-18/h3-11,17,19-21H,12-14H2,1-2H3/t17-,19-,20?,21+/m1/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine transporter by displacement of [3H]WIN-35428 radioligand from rat brain


J Med Chem 36: 2886-90 (1993)


Article DOI: 10.1021/jm00072a007
BindingDB Entry DOI: 10.7270/Q26H4J2P
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50045835
PNG
(2-[3-(4-Bromo-phenyl)-[1,2,4]oxadiazol-5-yl]-3-(4-...)
Show SMILES CN1C2CCC1C([C@H](C2)c1ccc(Cl)cc1)c1nc(no1)-c1ccc(Br)cc1
Show InChI InChI=1S/C22H21BrClN3O/c1-27-17-10-11-19(27)20(18(12-17)13-4-8-16(24)9-5-13)22-25-21(26-28-22)14-2-6-15(23)7-3-14/h2-9,17-20H,10-12H2,1H3/t17?,18-,19?,20?/m1/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine transporter by displacement of [3H]WIN-35428 radioligand from rat brain


J Med Chem 36: 2886-90 (1993)


Article DOI: 10.1021/jm00072a007
BindingDB Entry DOI: 10.7270/Q26H4J2P
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50045825
PNG
(3-(4-Chloro-phenyl)-8-methyl-2-(3-methyl-[1,2,4]ox...)
Show SMILES CN1C2CCC1C([C@H](C2)c1ccc(Cl)cc1)c1nc(C)no1
Show InChI InChI=1S/C17H20ClN3O/c1-10-19-17(22-20-10)16-14(11-3-5-12(18)6-4-11)9-13-7-8-15(16)21(13)2/h3-6,13-16H,7-9H2,1-2H3/t13?,14-,15?,16?/m1/s1
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n/an/a 4.10n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine transporter by displacement of [3H]WIN-35428 radioligand from rat brain


J Med Chem 36: 2886-90 (1993)


Article DOI: 10.1021/jm00072a007
BindingDB Entry DOI: 10.7270/Q26H4J2P
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50045829
PNG
(3-(4-Chloro-phenyl)-2-[3-(4-chloro-phenyl)-[1,2,4]...)
Show SMILES CN1C2CCC1C([C@H](C2)c1ccc(Cl)cc1)c1nc(no1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H21Cl2N3O/c1-27-17-10-11-19(27)20(18(12-17)13-2-6-15(23)7-3-13)22-25-21(26-28-22)14-4-8-16(24)9-5-14/h2-9,17-20H,10-12H2,1H3/t17?,18-,19?,20?/m1/s1
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n/an/a 4.10n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine transporter by displacement of [3H]WIN-35428 radioligand from rat brain


J Med Chem 36: 2886-90 (1993)


Article DOI: 10.1021/jm00072a007
BindingDB Entry DOI: 10.7270/Q26H4J2P
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50045832
PNG
(3-(4-Chloro-phenyl)-2-(3-isopropyl-[1,2,4]oxadiazo...)
Show SMILES CC(C)c1noc(n1)C1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C
Show InChI InChI=1S/C19H24ClN3O/c1-11(2)18-21-19(24-22-18)17-15(12-4-6-13(20)7-5-12)10-14-8-9-16(17)23(14)3/h4-7,11,14-17H,8-10H2,1-3H3/t14?,15-,16?,17?/m1/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine transporter by displacement of [3H]WIN-35428 radioligand from rat brain


J Med Chem 36: 2886-90 (1993)


Article DOI: 10.1021/jm00072a007
BindingDB Entry DOI: 10.7270/Q26H4J2P
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50366564
PNG
(CHEMBL1790051 | CHEMBL83729 | WIN-35065-2)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccccc1)N2C
Show InChI InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13-,14?,15+/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine transporter by displacement of [3H]WIN-35428 radioligand from rat brain


J Med Chem 36: 2886-90 (1993)


Article DOI: 10.1021/jm00072a007
BindingDB Entry DOI: 10.7270/Q26H4J2P
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50035738
PNG
((R)-3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C
Show InChI InChI=1S/C16H20ClNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3
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n/an/a 37n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards norepinephrine transporter by displacement of [3H]nisoxetine radioligand from rat brain


J Med Chem 36: 2886-90 (1993)


Article DOI: 10.1021/jm00072a007
BindingDB Entry DOI: 10.7270/Q26H4J2P
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50035738
PNG
((R)-3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C
Show InChI InChI=1S/C16H20ClNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3
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n/an/a 45n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin transporter by displacement of [3H]- paroxetine radioligand from rat brain


J Med Chem 36: 2886-90 (1993)


Article DOI: 10.1021/jm00072a007
BindingDB Entry DOI: 10.7270/Q26H4J2P
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50045826
PNG
(8-Methyl-2-(3-phenyl-[1,2,4]oxadiazol-5-yl)-3-p-to...)
Show SMILES CN1C2CCC1C([C@H](C2)c1ccc(C)cc1)c1nc(no1)-c1ccccc1
Show InChI InChI=1S/C23H25N3O/c1-15-8-10-16(11-9-15)19-14-18-12-13-20(26(18)2)21(19)23-24-22(25-27-23)17-6-4-3-5-7-17/h3-11,18-21H,12-14H2,1-2H3/t18?,19-,20?,21?/m1/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards norepinephrine transporter by displacement of [3H]nisoxetine radioligand from rat brain


J Med Chem 36: 2886-90 (1993)


Article DOI: 10.1021/jm00072a007
BindingDB Entry DOI: 10.7270/Q26H4J2P
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50045824
PNG
(8-Methyl-2-(3-methyl-[1,2,4]oxadiazol-5-yl)-3-phen...)
Show SMILES CN1C2CCC1C([C@H](C2)c1ccccc1)c1nc(C)no1
Show InChI InChI=1S/C17H21N3O/c1-11-18-17(21-19-11)16-14(12-6-4-3-5-7-12)10-13-8-9-15(16)20(13)2/h3-7,13-16H,8-10H2,1-2H3/t13?,14-,15?,16?/m1/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine transporter by displacement of [3H]WIN-35428 radioligand from rat brain


J Med Chem 36: 2886-90 (1993)


Article DOI: 10.1021/jm00072a007
BindingDB Entry DOI: 10.7270/Q26H4J2P
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50045835
PNG
(2-[3-(4-Bromo-phenyl)-[1,2,4]oxadiazol-5-yl]-3-(4-...)
Show SMILES CN1C2CCC1C([C@H](C2)c1ccc(Cl)cc1)c1nc(no1)-c1ccc(Br)cc1
Show InChI InChI=1S/C22H21BrClN3O/c1-27-17-10-11-19(27)20(18(12-17)13-4-8-16(24)9-5-13)22-25-21(26-28-22)14-2-6-15(23)7-3-14/h2-9,17-20H,10-12H2,1H3/t17?,18-,19?,20?/m1/s1
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n/an/a 106n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin transporter by displacement of [3H]- paroxetine radioligand from rat brain


J Med Chem 36: 2886-90 (1993)


Article DOI: 10.1021/jm00072a007
BindingDB Entry DOI: 10.7270/Q26H4J2P
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50045832
PNG
(3-(4-Chloro-phenyl)-2-(3-isopropyl-[1,2,4]oxadiazo...)
Show SMILES CC(C)c1noc(n1)C1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C
Show InChI InChI=1S/C19H24ClN3O/c1-11(2)18-21-19(24-22-18)17-15(12-4-6-13(20)7-5-12)10-14-8-9-16(17)23(14)3/h4-7,11,14-17H,8-10H2,1-3H3/t14?,15-,16?,17?/m1/s1
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n/an/a 135n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards norepinephrine transporter by displacement of [3H]nisoxetine radioligand from rat brain


J Med Chem 36: 2886-90 (1993)


Article DOI: 10.1021/jm00072a007
BindingDB Entry DOI: 10.7270/Q26H4J2P
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50033128
PNG
(3-(4-Chloro-phenyl)-8-methyl-2-(3-phenyl-[1,2,4]ox...)
Show SMILES CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)c1nc(no1)-c1ccccc1
Show InChI InChI=1S/C22H22ClN3O/c1-26-17-11-12-19(26)20(18(13-17)14-7-9-16(23)10-8-14)22-24-21(25-27-22)15-5-3-2-4-6-15/h2-10,17-20H,11-13H2,1H3
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n/an/a 195n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin transporter by displacement of [3H]- paroxetine radioligand from rat brain


J Med Chem 36: 2886-90 (1993)


Article DOI: 10.1021/jm00072a007
BindingDB Entry DOI: 10.7270/Q26H4J2P
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50045824
PNG
(8-Methyl-2-(3-methyl-[1,2,4]oxadiazol-5-yl)-3-phen...)
Show SMILES CN1C2CCC1C([C@H](C2)c1ccccc1)c1nc(C)no1
Show InChI InChI=1S/C17H21N3O/c1-11-18-17(21-19-11)16-14(12-6-4-3-5-7-12)10-13-8-9-15(16)20(13)2/h3-7,13-16H,8-10H2,1-2H3/t13?,14-,15?,16?/m1/s1
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n/an/a 204n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine transporter by displacement of [3H]WIN-35428 radioligand from rat brain


J Med Chem 36: 2886-90 (1993)


Article DOI: 10.1021/jm00072a007
BindingDB Entry DOI: 10.7270/Q26H4J2P
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50033128
PNG
(3-(4-Chloro-phenyl)-8-methyl-2-(3-phenyl-[1,2,4]ox...)
Show SMILES CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)c1nc(no1)-c1ccccc1
Show InChI InChI=1S/C22H22ClN3O/c1-26-17-11-12-19(26)20(18(13-17)14-7-9-16(23)10-8-14)22-24-21(25-27-22)15-5-3-2-4-6-15/h2-10,17-20H,11-13H2,1H3
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n/an/a 245n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards norepinephrine transporter by displacement of [3H]nisoxetine radioligand from rat brain


J Med Chem 36: 2886-90 (1993)


Article DOI: 10.1021/jm00072a007
BindingDB Entry DOI: 10.7270/Q26H4J2P
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50045827
PNG
(3-(4-Chloro-phenyl)-2-[3-(4-methoxy-phenyl)-[1,2,4...)
Show SMILES COc1ccc(cc1)-c1noc(n1)C1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C
Show InChI InChI=1S/C23H24ClN3O2/c1-27-17-9-12-20(27)21(19(13-17)14-3-7-16(24)8-4-14)23-25-22(26-29-23)15-5-10-18(28-2)11-6-15/h3-8,10-11,17,19-21H,9,12-13H2,1-2H3/t17?,19-,20?,21?/m1/s1
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n/an/a 337n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin transporter by displacement of [3H]- paroxetine radioligand from rat brain


J Med Chem 36: 2886-90 (1993)


Article DOI: 10.1021/jm00072a007
BindingDB Entry DOI: 10.7270/Q26H4J2P
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50045825
PNG
(3-(4-Chloro-phenyl)-8-methyl-2-(3-methyl-[1,2,4]ox...)
Show SMILES CN1C2CCC1C([C@H](C2)c1ccc(Cl)cc1)c1nc(C)no1
Show InChI InChI=1S/C17H20ClN3O/c1-10-19-17(22-20-10)16-14(11-3-5-12(18)6-4-11)9-13-7-8-15(16)21(13)2/h3-6,13-16H,7-9H2,1-2H3/t13?,14-,15?,16?/m1/s1
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n/an/a 363n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards norepinephrine transporter by displacement of [3H]nisoxetine radioligand from rat brain


J Med Chem 36: 2886-90 (1993)


Article DOI: 10.1021/jm00072a007
BindingDB Entry DOI: 10.7270/Q26H4J2P
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50045829
PNG
(3-(4-Chloro-phenyl)-2-[3-(4-chloro-phenyl)-[1,2,4]...)
Show SMILES CN1C2CCC1C([C@H](C2)c1ccc(Cl)cc1)c1nc(no1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H21Cl2N3O/c1-27-17-10-11-19(27)20(18(12-17)13-2-6-15(23)7-3-13)22-25-21(26-28-22)14-4-8-16(24)9-5-14/h2-9,17-20H,10-12H2,1H3/t17?,18-,19?,20?/m1/s1
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n/an/a 404n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin transporter by displacement of [3H]- paroxetine radioligand from rat brain


J Med Chem 36: 2886-90 (1993)


Article DOI: 10.1021/jm00072a007
BindingDB Entry DOI: 10.7270/Q26H4J2P
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50006786
PNG
(3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]o...)
Show SMILES CC(C)OC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(Cl)cc1)N2C
Show InChI InChI=1S/C18H24ClNO2/c1-11(2)22-18(21)17-15(12-4-6-13(19)7-5-12)10-14-8-9-16(17)20(14)3/h4-7,11,14-17H,8-10H2,1-3H3/t14-,15-,16?,17+/m1/s1
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n/an/a 778n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards norepinephrine transporter by displacement of [3H]nisoxetine radioligand from rat brain


J Med Chem 36: 2886-90 (1993)


Article DOI: 10.1021/jm00072a007
BindingDB Entry DOI: 10.7270/Q26H4J2P
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50045827
PNG
(3-(4-Chloro-phenyl)-2-[3-(4-methoxy-phenyl)-[1,2,4...)
Show SMILES COc1ccc(cc1)-c1noc(n1)C1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C
Show InChI InChI=1S/C23H24ClN3O2/c1-27-17-9-12-20(27)21(19(13-17)14-3-7-16(24)8-4-14)23-25-22(26-29-23)15-5-10-18(28-2)11-6-15/h3-8,10-11,17,19-21H,9,12-13H2,1-2H3/t17?,19-,20?,21?/m1/s1
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n/an/a 835n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards norepinephrine transporter by displacement of [3H]nisoxetine radioligand from rat brain


J Med Chem 36: 2886-90 (1993)


Article DOI: 10.1021/jm00072a007
BindingDB Entry DOI: 10.7270/Q26H4J2P
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50366564
PNG
(CHEMBL1790051 | CHEMBL83729 | WIN-35065-2)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccccc1)N2C
Show InChI InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13-,14?,15+/m1/s1
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n/an/a 920n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards norepinephrine transporter by displacement of [3H]nisoxetine radioligand from rat brain


J Med Chem 36: 2886-90 (1993)


Article DOI: 10.1021/jm00072a007
BindingDB Entry DOI: 10.7270/Q26H4J2P
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50045826
PNG
(8-Methyl-2-(3-phenyl-[1,2,4]oxadiazol-5-yl)-3-p-to...)
Show SMILES CN1C2CCC1C([C@H](C2)c1ccc(C)cc1)c1nc(no1)-c1ccccc1
Show InChI InChI=1S/C23H25N3O/c1-15-8-10-16(11-9-15)19-14-18-12-13-20(26(18)2)21(19)23-24-22(25-27-23)17-6-4-3-5-7-17/h3-11,18-21H,12-14H2,1-2H3/t18?,19-,20?,21?/m1/s1
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n/an/a 1.07E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin transporter by displacement of [3H]- paroxetine radioligand from rat brain


J Med Chem 36: 2886-90 (1993)


Article DOI: 10.1021/jm00072a007
BindingDB Entry DOI: 10.7270/Q26H4J2P
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50006786
PNG
(3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]o...)
Show SMILES CC(C)OC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(Cl)cc1)N2C
Show InChI InChI=1S/C18H24ClNO2/c1-11(2)22-18(21)17-15(12-4-6-13(19)7-5-12)10-14-8-9-16(17)20(14)3/h4-7,11,14-17H,8-10H2,1-3H3/t14-,15-,16?,17+/m1/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin transporter by displacement of [3H]- paroxetine radioligand from rat brain


J Med Chem 36: 2886-90 (1993)


Article DOI: 10.1021/jm00072a007
BindingDB Entry DOI: 10.7270/Q26H4J2P
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50045835
PNG
(2-[3-(4-Bromo-phenyl)-[1,2,4]oxadiazol-5-yl]-3-(4-...)
Show SMILES CN1C2CCC1C([C@H](C2)c1ccc(Cl)cc1)c1nc(no1)-c1ccc(Br)cc1
Show InChI InChI=1S/C22H21BrClN3O/c1-27-17-10-11-19(27)20(18(12-17)13-4-8-16(24)9-5-13)22-25-21(26-28-22)14-2-6-15(23)7-3-14/h2-9,17-20H,10-12H2,1H3/t17?,18-,19?,20?/m1/s1
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n/an/a 1.83E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards norepinephrine transporter by displacement of [3H]nisoxetine radioligand from rat brain


J Med Chem 36: 2886-90 (1993)


Article DOI: 10.1021/jm00072a007
BindingDB Entry DOI: 10.7270/Q26H4J2P
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50366564
PNG
(CHEMBL1790051 | CHEMBL83729 | WIN-35065-2)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccccc1)N2C
Show InChI InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13-,14?,15+/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin transporter by displacement of [3H]- paroxetine radioligand from rat brain


J Med Chem 36: 2886-90 (1993)


Article DOI: 10.1021/jm00072a007
BindingDB Entry DOI: 10.7270/Q26H4J2P
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50033127
PNG
(3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]o...)
Show SMILES CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)Oc1ccccc1
Show InChI InChI=1S/C21H22ClNO2/c1-23-16-11-12-19(23)20(21(24)25-17-5-3-2-4-6-17)18(13-16)14-7-9-15(22)10-8-14/h2-10,16,18-20H,11-13H2,1H3
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n/an/a 2.34E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin transporter by displacement of [3H]- paroxetine radioligand from rat brain


J Med Chem 36: 2886-90 (1993)


Article DOI: 10.1021/jm00072a007
BindingDB Entry DOI: 10.7270/Q26H4J2P
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50045825
PNG
(3-(4-Chloro-phenyl)-8-methyl-2-(3-methyl-[1,2,4]ox...)
Show SMILES CN1C2CCC1C([C@H](C2)c1ccc(Cl)cc1)c1nc(C)no1
Show InChI InChI=1S/C17H20ClN3O/c1-10-19-17(22-20-10)16-14(11-3-5-12(18)6-4-11)9-13-7-8-15(16)21(13)2/h3-6,13-16H,7-9H2,1-2H3/t13?,14-,15?,16?/m1/s1
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n/an/a 2.58E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin transporter by displacement of [3H]- paroxetine radioligand from rat brain


J Med Chem 36: 2886-90 (1993)


Article DOI: 10.1021/jm00072a007
BindingDB Entry DOI: 10.7270/Q26H4J2P
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50033127
PNG
(3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]o...)
Show SMILES CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)Oc1ccccc1
Show InChI InChI=1S/C21H22ClNO2/c1-23-16-11-12-19(23)20(21(24)25-17-5-3-2-4-6-17)18(13-16)14-7-9-15(22)10-8-14/h2-10,16,18-20H,11-13H2,1H3
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n/an/a 2.96E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards norepinephrine transporter by displacement of [3H]nisoxetine radioligand from rat brain


J Med Chem 36: 2886-90 (1993)


Article DOI: 10.1021/jm00072a007
BindingDB Entry DOI: 10.7270/Q26H4J2P
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50045832
PNG
(3-(4-Chloro-phenyl)-2-(3-isopropyl-[1,2,4]oxadiazo...)
Show SMILES CC(C)c1noc(n1)C1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C
Show InChI InChI=1S/C19H24ClN3O/c1-11(2)18-21-19(24-22-18)17-15(12-4-6-13(20)7-5-12)10-14-8-9-16(17)23(14)3/h4-7,11,14-17H,8-10H2,1-3H3/t14?,15-,16?,17?/m1/s1
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n/an/a 3.46E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin transporter by displacement of [3H]- paroxetine radioligand from rat brain


J Med Chem 36: 2886-90 (1993)


Article DOI: 10.1021/jm00072a007
BindingDB Entry DOI: 10.7270/Q26H4J2P
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50045829
PNG
(3-(4-Chloro-phenyl)-2-[3-(4-chloro-phenyl)-[1,2,4]...)
Show SMILES CN1C2CCC1C([C@H](C2)c1ccc(Cl)cc1)c1nc(no1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H21Cl2N3O/c1-27-17-10-11-19(27)20(18(12-17)13-2-6-15(23)7-3-13)22-25-21(26-28-22)14-4-8-16(24)9-5-14/h2-9,17-20H,10-12H2,1H3/t17?,18-,19?,20?/m1/s1
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n/an/a 4.07E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards norepinephrine transporter by displacement of [3H]nisoxetine radioligand from rat brain


J Med Chem 36: 2886-90 (1993)


Article DOI: 10.1021/jm00072a007
BindingDB Entry DOI: 10.7270/Q26H4J2P
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50006775
PNG
(8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]octane-2-ca...)
Show SMILES CN1[C@@H]2CCC1[C@H]([C@H](C2)c1ccc(C)cc1)C(=O)Oc1ccccc1
Show InChI InChI=1S/C22H25NO2/c1-15-8-10-16(11-9-15)19-14-17-12-13-20(23(17)2)21(19)22(24)25-18-6-4-3-5-7-18/h3-11,17,19-21H,12-14H2,1-2H3/t17-,19-,20?,21+/m1/s1
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n/an/a 5.83E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards norepinephrine transporter by displacement of [3H]nisoxetine radioligand from rat brain


J Med Chem 36: 2886-90 (1993)


Article DOI: 10.1021/jm00072a007
BindingDB Entry DOI: 10.7270/Q26H4J2P
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50045824
PNG
(8-Methyl-2-(3-methyl-[1,2,4]oxadiazol-5-yl)-3-phen...)
Show SMILES CN1C2CCC1C([C@H](C2)c1ccccc1)c1nc(C)no1
Show InChI InChI=1S/C17H21N3O/c1-11-18-17(21-19-11)16-14(12-6-4-3-5-7-12)10-13-8-9-15(16)20(13)2/h3-7,13-16H,8-10H2,1-2H3/t13?,14-,15?,16?/m1/s1
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n/an/a 6.99E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards norepinephrine transporter by displacement of [3H]nisoxetine radioligand from rat brain


J Med Chem 36: 2886-90 (1993)


Article DOI: 10.1021/jm00072a007
BindingDB Entry DOI: 10.7270/Q26H4J2P
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50045824
PNG
(8-Methyl-2-(3-methyl-[1,2,4]oxadiazol-5-yl)-3-phen...)
Show SMILES CN1C2CCC1C([C@H](C2)c1ccccc1)c1nc(C)no1
Show InChI InChI=1S/C17H21N3O/c1-11-18-17(21-19-11)16-14(12-6-4-3-5-7-12)10-13-8-9-15(16)20(13)2/h3-7,13-16H,8-10H2,1-2H3/t13?,14-,15?,16?/m1/s1
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n/an/a 6.99E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards norepinephrine transporter by displacement of [3H]nisoxetine radioligand from rat brain


J Med Chem 36: 2886-90 (1993)


Article DOI: 10.1021/jm00072a007
BindingDB Entry DOI: 10.7270/Q26H4J2P
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50006775
PNG
(8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]octane-2-ca...)
Show SMILES CN1[C@@H]2CCC1[C@H]([C@H](C2)c1ccc(C)cc1)C(=O)Oc1ccccc1
Show InChI InChI=1S/C22H25NO2/c1-15-8-10-16(11-9-15)19-14-17-12-13-20(23(17)2)21(19)22(24)25-18-6-4-3-5-7-18/h3-11,17,19-21H,12-14H2,1-2H3/t17-,19-,20?,21+/m1/s1
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n/an/a 2.45E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin transporter by displacement of [3H]- paroxetine radioligand from rat brain


J Med Chem 36: 2886-90 (1993)


Article DOI: 10.1021/jm00072a007
BindingDB Entry DOI: 10.7270/Q26H4J2P
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50045824
PNG
(8-Methyl-2-(3-methyl-[1,2,4]oxadiazol-5-yl)-3-phen...)
Show SMILES CN1C2CCC1C([C@H](C2)c1ccccc1)c1nc(C)no1
Show InChI InChI=1S/C17H21N3O/c1-11-18-17(21-19-11)16-14(12-6-4-3-5-7-12)10-13-8-9-15(16)20(13)2/h3-7,13-16H,8-10H2,1-2H3/t13?,14-,15?,16?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 4.06E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin transporter by displacement of [3H]- paroxetine radioligand from rat brain


J Med Chem 36: 2886-90 (1993)


Article DOI: 10.1021/jm00072a007
BindingDB Entry DOI: 10.7270/Q26H4J2P
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50045824
PNG
(8-Methyl-2-(3-methyl-[1,2,4]oxadiazol-5-yl)-3-phen...)
Show SMILES CN1C2CCC1C([C@H](C2)c1ccccc1)c1nc(C)no1
Show InChI InChI=1S/C17H21N3O/c1-11-18-17(21-19-11)16-14(12-6-4-3-5-7-12)10-13-8-9-15(16)20(13)2/h3-7,13-16H,8-10H2,1-2H3/t13?,14-,15?,16?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.06E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin transporter by displacement of [3H]- paroxetine radioligand from rat brain


J Med Chem 36: 2886-90 (1993)


Article DOI: 10.1021/jm00072a007
BindingDB Entry DOI: 10.7270/Q26H4J2P
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%