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PubMed code 9457247

Compile data set for download or QSAR
Found 39 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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM22416
PNG
((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
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n/an/a 0.280n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]paroxetine (0.2 nM) binding to 5-HT transporter


J Med Chem 41: 247-57 (1998)


Article DOI: 10.1021/jm970669p
BindingDB Entry DOI: 10.7270/Q2P55P6D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50062368
PNG
((2S,3S,8R)-2-(Benzo[1,3]dioxol-5-yloxymethyl)-3-(4...)
Show SMILES CN1C2CCC1[C@@H](COc1ccc3OCOc3c1)[C@H](C2)c1ccc(F)cc1
Show InChI InChI=1S/C22H24FNO3/c1-24-16-6-8-20(24)19(18(10-16)14-2-4-15(23)5-3-14)12-25-17-7-9-21-22(11-17)27-13-26-21/h2-5,7,9,11,16,18-20H,6,8,10,12-13H2,1H3/t16?,18-,19+,20?/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428(0.5 nM) from Dopamine transporter


J Med Chem 41: 247-57 (1998)


Article DOI: 10.1021/jm970669p
BindingDB Entry DOI: 10.7270/Q2P55P6D
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50062372
PNG
((2S,3R,8R)-2-(Benzo[1,3]dioxol-5-yloxymethyl)-3-(4...)
Show SMILES Fc1ccc(cc1)[C@@H]1CC2CCC(N2)[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C21H22FNO3/c22-14-3-1-13(2-4-14)17-9-15-5-7-19(23-15)18(17)11-24-16-6-8-20-21(10-16)26-12-25-20/h1-4,6,8,10,15,17-19,23H,5,7,9,11-12H2/t15?,17-,18-,19?/m0/s1
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n/an/a 3.90n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428(0.5 nM) from Dopamine transporter


J Med Chem 41: 247-57 (1998)


Article DOI: 10.1021/jm970669p
BindingDB Entry DOI: 10.7270/Q2P55P6D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50062372
PNG
((2S,3R,8R)-2-(Benzo[1,3]dioxol-5-yloxymethyl)-3-(4...)
Show SMILES Fc1ccc(cc1)[C@@H]1CC2CCC(N2)[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C21H22FNO3/c22-14-3-1-13(2-4-14)17-9-15-5-7-19(23-15)18(17)11-24-16-6-8-20-21(10-16)26-12-25-20/h1-4,6,8,10,15,17-19,23H,5,7,9,11-12H2/t15?,17-,18-,19?/m0/s1
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n/an/a 5.60n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]paroxetine (0.2 nM) binding to 5-HT transporter


J Med Chem 41: 247-57 (1998)


Article DOI: 10.1021/jm970669p
BindingDB Entry DOI: 10.7270/Q2P55P6D
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50062372
PNG
((2S,3R,8R)-2-(Benzo[1,3]dioxol-5-yloxymethyl)-3-(4...)
Show SMILES Fc1ccc(cc1)[C@@H]1CC2CCC(N2)[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C21H22FNO3/c22-14-3-1-13(2-4-14)17-9-15-5-7-19(23-15)18(17)11-24-16-6-8-20-21(10-16)26-12-25-20/h1-4,6,8,10,15,17-19,23H,5,7,9,11-12H2/t15?,17-,18-,19?/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine (0.5 nM) binding to Noradrenaline transporter


J Med Chem 41: 247-57 (1998)


Article DOI: 10.1021/jm970669p
BindingDB Entry DOI: 10.7270/Q2P55P6D
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50062374
PNG
((2R,3R,8R)-2-(Benzo[1,3]dioxol-5-yloxymethyl)-3-(4...)
Show SMILES Fc1ccc(cc1)[C@@H]1CC2CCC(N2)[C@@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C21H22FNO3/c22-14-3-1-13(2-4-14)17-9-15-5-7-19(23-15)18(17)11-24-16-6-8-20-21(10-16)26-12-25-20/h1-4,6,8,10,15,17-19,23H,5,7,9,11-12H2/t15?,17-,18+,19?/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428(0.5 nM) from Dopamine transporter


J Med Chem 41: 247-57 (1998)


Article DOI: 10.1021/jm970669p
BindingDB Entry DOI: 10.7270/Q2P55P6D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50062368
PNG
((2S,3S,8R)-2-(Benzo[1,3]dioxol-5-yloxymethyl)-3-(4...)
Show SMILES CN1C2CCC1[C@@H](COc1ccc3OCOc3c1)[C@H](C2)c1ccc(F)cc1
Show InChI InChI=1S/C22H24FNO3/c1-24-16-6-8-20(24)19(18(10-16)14-2-4-15(23)5-3-14)12-25-17-7-9-21-22(11-17)27-13-26-21/h2-5,7,9,11,16,18-20H,6,8,10,12-13H2,1H3/t16?,18-,19+,20?/m1/s1
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n/an/a 53n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]paroxetine (0.2 nM) binding to 5-HT transporter


J Med Chem 41: 247-57 (1998)


Article DOI: 10.1021/jm970669p
BindingDB Entry DOI: 10.7270/Q2P55P6D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50062374
PNG
((2R,3R,8R)-2-(Benzo[1,3]dioxol-5-yloxymethyl)-3-(4...)
Show SMILES Fc1ccc(cc1)[C@@H]1CC2CCC(N2)[C@@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C21H22FNO3/c22-14-3-1-13(2-4-14)17-9-15-5-7-19(23-15)18(17)11-24-16-6-8-20-21(10-16)26-12-25-20/h1-4,6,8,10,15,17-19,23H,5,7,9,11-12H2/t15?,17-,18+,19?/m0/s1
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n/an/a 56n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]paroxetine (0.2 nM) binding to 5-HT transporter


J Med Chem 41: 247-57 (1998)


Article DOI: 10.1021/jm970669p
BindingDB Entry DOI: 10.7270/Q2P55P6D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50062368
PNG
((2S,3S,8R)-2-(Benzo[1,3]dioxol-5-yloxymethyl)-3-(4...)
Show SMILES CN1C2CCC1[C@@H](COc1ccc3OCOc3c1)[C@H](C2)c1ccc(F)cc1
Show InChI InChI=1S/C22H24FNO3/c1-24-16-6-8-20(24)19(18(10-16)14-2-4-15(23)5-3-14)12-25-17-7-9-21-22(11-17)27-13-26-21/h2-5,7,9,11,16,18-20H,6,8,10,12-13H2,1H3/t16?,18-,19+,20?/m1/s1
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n/an/a 88n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]paroxetine (0.2 nM) binding to 5-HT transporter


J Med Chem 41: 247-57 (1998)


Article DOI: 10.1021/jm970669p
BindingDB Entry DOI: 10.7270/Q2P55P6D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50062376
PNG
((2R,3S,8S)-2-(Benzo[1,3]dioxol-5-yloxymethyl)-3-(4...)
Show SMILES Fc1ccc(cc1)[C@H]1CC2CCC(N2)[C@@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C21H22FNO3/c22-14-3-1-13(2-4-14)17-9-15-5-7-19(23-15)18(17)11-24-16-6-8-20-21(10-16)26-12-25-20/h1-4,6,8,10,15,17-19,23H,5,7,9,11-12H2/t15?,17-,18-,19?/m1/s1
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n/an/a 90n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]paroxetine (0.2 nM) binding to 5-HT transporter


J Med Chem 41: 247-57 (1998)


Article DOI: 10.1021/jm970669p
BindingDB Entry DOI: 10.7270/Q2P55P6D
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50062368
PNG
((2S,3S,8R)-2-(Benzo[1,3]dioxol-5-yloxymethyl)-3-(4...)
Show SMILES CN1C2CCC1[C@@H](COc1ccc3OCOc3c1)[C@H](C2)c1ccc(F)cc1
Show InChI InChI=1S/C22H24FNO3/c1-24-16-6-8-20(24)19(18(10-16)14-2-4-15(23)5-3-14)12-25-17-7-9-21-22(11-17)27-13-26-21/h2-5,7,9,11,16,18-20H,6,8,10,12-13H2,1H3/t16?,18-,19+,20?/m1/s1
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n/an/a 123n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine (0.5 nM) binding to Noradrenaline transporter


J Med Chem 41: 247-57 (1998)


Article DOI: 10.1021/jm970669p
BindingDB Entry DOI: 10.7270/Q2P55P6D
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50062376
PNG
((2R,3S,8S)-2-(Benzo[1,3]dioxol-5-yloxymethyl)-3-(4...)
Show SMILES Fc1ccc(cc1)[C@H]1CC2CCC(N2)[C@@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C21H22FNO3/c22-14-3-1-13(2-4-14)17-9-15-5-7-19(23-15)18(17)11-24-16-6-8-20-21(10-16)26-12-25-20/h1-4,6,8,10,15,17-19,23H,5,7,9,11-12H2/t15?,17-,18-,19?/m1/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428(0.5 nM) from Dopamine transporter


J Med Chem 41: 247-57 (1998)


Article DOI: 10.1021/jm970669p
BindingDB Entry DOI: 10.7270/Q2P55P6D
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50062368
PNG
((2S,3S,8R)-2-(Benzo[1,3]dioxol-5-yloxymethyl)-3-(4...)
Show SMILES CN1C2CCC1[C@@H](COc1ccc3OCOc3c1)[C@H](C2)c1ccc(F)cc1
Show InChI InChI=1S/C22H24FNO3/c1-24-16-6-8-20(24)19(18(10-16)14-2-4-15(23)5-3-14)12-25-17-7-9-21-22(11-17)27-13-26-21/h2-5,7,9,11,16,18-20H,6,8,10,12-13H2,1H3/t16?,18-,19+,20?/m1/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428(0.5 nM) from Dopamine transporter


J Med Chem 41: 247-57 (1998)


Article DOI: 10.1021/jm970669p
BindingDB Entry DOI: 10.7270/Q2P55P6D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50062368
PNG
((2S,3S,8R)-2-(Benzo[1,3]dioxol-5-yloxymethyl)-3-(4...)
Show SMILES CN1C2CCC1[C@@H](COc1ccc3OCOc3c1)[C@H](C2)c1ccc(F)cc1
Show InChI InChI=1S/C22H24FNO3/c1-24-16-6-8-20(24)19(18(10-16)14-2-4-15(23)5-3-14)12-25-17-7-9-21-22(11-17)27-13-26-21/h2-5,7,9,11,16,18-20H,6,8,10,12-13H2,1H3/t16?,18-,19+,20?/m1/s1
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n/an/a 178n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]paroxetine (0.2 nM) binding to 5-HT transporter


J Med Chem 41: 247-57 (1998)


Article DOI: 10.1021/jm970669p
BindingDB Entry DOI: 10.7270/Q2P55P6D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50062368
PNG
((2S,3S,8R)-2-(Benzo[1,3]dioxol-5-yloxymethyl)-3-(4...)
Show SMILES CN1C2CCC1[C@@H](COc1ccc3OCOc3c1)[C@H](C2)c1ccc(F)cc1
Show InChI InChI=1S/C22H24FNO3/c1-24-16-6-8-20(24)19(18(10-16)14-2-4-15(23)5-3-14)12-25-17-7-9-21-22(11-17)27-13-26-21/h2-5,7,9,11,16,18-20H,6,8,10,12-13H2,1H3/t16?,18-,19+,20?/m1/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]paroxetine (0.2 nM) binding to 5-HT transporter


J Med Chem 41: 247-57 (1998)


Article DOI: 10.1021/jm970669p
BindingDB Entry DOI: 10.7270/Q2P55P6D
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50062368
PNG
((2S,3S,8R)-2-(Benzo[1,3]dioxol-5-yloxymethyl)-3-(4...)
Show SMILES CN1C2CCC1[C@@H](COc1ccc3OCOc3c1)[C@H](C2)c1ccc(F)cc1
Show InChI InChI=1S/C22H24FNO3/c1-24-16-6-8-20(24)19(18(10-16)14-2-4-15(23)5-3-14)12-25-17-7-9-21-22(11-17)27-13-26-21/h2-5,7,9,11,16,18-20H,6,8,10,12-13H2,1H3/t16?,18-,19+,20?/m1/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428(0.5 nM) from Dopamine transporter


J Med Chem 41: 247-57 (1998)


Article DOI: 10.1021/jm970669p
BindingDB Entry DOI: 10.7270/Q2P55P6D
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50062368
PNG
((2S,3S,8R)-2-(Benzo[1,3]dioxol-5-yloxymethyl)-3-(4...)
Show SMILES CN1C2CCC1[C@@H](COc1ccc3OCOc3c1)[C@H](C2)c1ccc(F)cc1
Show InChI InChI=1S/C22H24FNO3/c1-24-16-6-8-20(24)19(18(10-16)14-2-4-15(23)5-3-14)12-25-17-7-9-21-22(11-17)27-13-26-21/h2-5,7,9,11,16,18-20H,6,8,10,12-13H2,1H3/t16?,18-,19+,20?/m1/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428(0.5 nM) from Dopamine transporter


J Med Chem 41: 247-57 (1998)


Article DOI: 10.1021/jm970669p
BindingDB Entry DOI: 10.7270/Q2P55P6D
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50062375
PNG
((2S,3S,8R)-2-(Benzo[1,3]dioxol-5-yloxymethyl)-3-(4...)
Show SMILES Fc1ccc(cc1)[C@H]1CC2CCC(N2)[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C21H22FNO3/c22-14-3-1-13(2-4-14)17-9-15-5-7-19(23-15)18(17)11-24-16-6-8-20-21(10-16)26-12-25-20/h1-4,6,8,10,15,17-19,23H,5,7,9,11-12H2/t15?,17-,18+,19?/m1/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428(0.5 nM) from Dopamine transporter


J Med Chem 41: 247-57 (1998)


Article DOI: 10.1021/jm970669p
BindingDB Entry DOI: 10.7270/Q2P55P6D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50062368
PNG
((2S,3S,8R)-2-(Benzo[1,3]dioxol-5-yloxymethyl)-3-(4...)
Show SMILES CN1C2CCC1[C@@H](COc1ccc3OCOc3c1)[C@H](C2)c1ccc(F)cc1
Show InChI InChI=1S/C22H24FNO3/c1-24-16-6-8-20(24)19(18(10-16)14-2-4-15(23)5-3-14)12-25-17-7-9-21-22(11-17)27-13-26-21/h2-5,7,9,11,16,18-20H,6,8,10,12-13H2,1H3/t16?,18-,19+,20?/m1/s1
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n/an/a 422n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]paroxetine (0.2 nM) binding to 5-HT transporter


J Med Chem 41: 247-57 (1998)


Article DOI: 10.1021/jm970669p
BindingDB Entry DOI: 10.7270/Q2P55P6D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50062372
PNG
((2S,3R,8R)-2-(Benzo[1,3]dioxol-5-yloxymethyl)-3-(4...)
Show SMILES Fc1ccc(cc1)[C@@H]1CC2CCC(N2)[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C21H22FNO3/c22-14-3-1-13(2-4-14)17-9-15-5-7-19(23-15)18(17)11-24-16-6-8-20-21(10-16)26-12-25-20/h1-4,6,8,10,15,17-19,23H,5,7,9,11-12H2/t15?,17-,18-,19?/m0/s1
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n/an/a 424n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]paroxetine (0.2 nM) binding to 5-HT transporter


J Med Chem 41: 247-57 (1998)


Article DOI: 10.1021/jm970669p
BindingDB Entry DOI: 10.7270/Q2P55P6D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50062368
PNG
((2S,3S,8R)-2-(Benzo[1,3]dioxol-5-yloxymethyl)-3-(4...)
Show SMILES CN1C2CCC1[C@@H](COc1ccc3OCOc3c1)[C@H](C2)c1ccc(F)cc1
Show InChI InChI=1S/C22H24FNO3/c1-24-16-6-8-20(24)19(18(10-16)14-2-4-15(23)5-3-14)12-25-17-7-9-21-22(11-17)27-13-26-21/h2-5,7,9,11,16,18-20H,6,8,10,12-13H2,1H3/t16?,18-,19+,20?/m1/s1
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n/an/a 447n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]paroxetine (0.2 nM) binding to 5-HT transporter


J Med Chem 41: 247-57 (1998)


Article DOI: 10.1021/jm970669p
BindingDB Entry DOI: 10.7270/Q2P55P6D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50062375
PNG
((2S,3S,8R)-2-(Benzo[1,3]dioxol-5-yloxymethyl)-3-(4...)
Show SMILES Fc1ccc(cc1)[C@H]1CC2CCC(N2)[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C21H22FNO3/c22-14-3-1-13(2-4-14)17-9-15-5-7-19(23-15)18(17)11-24-16-6-8-20-21(10-16)26-12-25-20/h1-4,6,8,10,15,17-19,23H,5,7,9,11-12H2/t15?,17-,18+,19?/m1/s1
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n/an/a 480n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]paroxetine (0.2 nM) binding to 5-HT transporter


J Med Chem 41: 247-57 (1998)


Article DOI: 10.1021/jm970669p
BindingDB Entry DOI: 10.7270/Q2P55P6D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50062375
PNG
((2S,3S,8R)-2-(Benzo[1,3]dioxol-5-yloxymethyl)-3-(4...)
Show SMILES Fc1ccc(cc1)[C@H]1CC2CCC(N2)[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C21H22FNO3/c22-14-3-1-13(2-4-14)17-9-15-5-7-19(23-15)18(17)11-24-16-6-8-20-21(10-16)26-12-25-20/h1-4,6,8,10,15,17-19,23H,5,7,9,11-12H2/t15?,17-,18+,19?/m1/s1
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n/an/a 480n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]paroxetine (0.2 nM) binding to 5-HT transporter


J Med Chem 41: 247-57 (1998)


Article DOI: 10.1021/jm970669p
BindingDB Entry DOI: 10.7270/Q2P55P6D
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM22416
PNG
((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
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n/an/a 535n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine (0.5 nM) binding to Noradrenaline transporter


J Med Chem 41: 247-57 (1998)


Article DOI: 10.1021/jm970669p
BindingDB Entry DOI: 10.7270/Q2P55P6D
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22416
PNG
((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
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n/an/a 623n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428(0.5 nM) from Dopamine transporter


J Med Chem 41: 247-57 (1998)


Article DOI: 10.1021/jm970669p
BindingDB Entry DOI: 10.7270/Q2P55P6D
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50062375
PNG
((2S,3S,8R)-2-(Benzo[1,3]dioxol-5-yloxymethyl)-3-(4...)
Show SMILES Fc1ccc(cc1)[C@H]1CC2CCC(N2)[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C21H22FNO3/c22-14-3-1-13(2-4-14)17-9-15-5-7-19(23-15)18(17)11-24-16-6-8-20-21(10-16)26-12-25-20/h1-4,6,8,10,15,17-19,23H,5,7,9,11-12H2/t15?,17-,18+,19?/m1/s1
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n/an/a 835n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428(0.5 nM) from Dopamine transporter


J Med Chem 41: 247-57 (1998)


Article DOI: 10.1021/jm970669p
BindingDB Entry DOI: 10.7270/Q2P55P6D
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50062368
PNG
((2S,3S,8R)-2-(Benzo[1,3]dioxol-5-yloxymethyl)-3-(4...)
Show SMILES CN1C2CCC1[C@@H](COc1ccc3OCOc3c1)[C@H](C2)c1ccc(F)cc1
Show InChI InChI=1S/C22H24FNO3/c1-24-16-6-8-20(24)19(18(10-16)14-2-4-15(23)5-3-14)12-25-17-7-9-21-22(11-17)27-13-26-21/h2-5,7,9,11,16,18-20H,6,8,10,12-13H2,1H3/t16?,18-,19+,20?/m1/s1
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n/an/a 1.05E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428(0.5 nM) from Dopamine transporter


J Med Chem 41: 247-57 (1998)


Article DOI: 10.1021/jm970669p
BindingDB Entry DOI: 10.7270/Q2P55P6D
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50062372
PNG
((2S,3R,8R)-2-(Benzo[1,3]dioxol-5-yloxymethyl)-3-(4...)
Show SMILES Fc1ccc(cc1)[C@@H]1CC2CCC(N2)[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C21H22FNO3/c22-14-3-1-13(2-4-14)17-9-15-5-7-19(23-15)18(17)11-24-16-6-8-20-21(10-16)26-12-25-20/h1-4,6,8,10,15,17-19,23H,5,7,9,11-12H2/t15?,17-,18-,19?/m0/s1
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n/an/a 1.21E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428(0.5 nM) from Dopamine transporter


J Med Chem 41: 247-57 (1998)


Article DOI: 10.1021/jm970669p
BindingDB Entry DOI: 10.7270/Q2P55P6D
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50062368
PNG
((2S,3S,8R)-2-(Benzo[1,3]dioxol-5-yloxymethyl)-3-(4...)
Show SMILES CN1C2CCC1[C@@H](COc1ccc3OCOc3c1)[C@H](C2)c1ccc(F)cc1
Show InChI InChI=1S/C22H24FNO3/c1-24-16-6-8-20(24)19(18(10-16)14-2-4-15(23)5-3-14)12-25-17-7-9-21-22(11-17)27-13-26-21/h2-5,7,9,11,16,18-20H,6,8,10,12-13H2,1H3/t16?,18-,19+,20?/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428(0.5 nM) from Dopamine transporter


J Med Chem 41: 247-57 (1998)


Article DOI: 10.1021/jm970669p
BindingDB Entry DOI: 10.7270/Q2P55P6D
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50062374
PNG
((2R,3R,8R)-2-(Benzo[1,3]dioxol-5-yloxymethyl)-3-(4...)
Show SMILES Fc1ccc(cc1)[C@@H]1CC2CCC(N2)[C@@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C21H22FNO3/c22-14-3-1-13(2-4-14)17-9-15-5-7-19(23-15)18(17)11-24-16-6-8-20-21(10-16)26-12-25-20/h1-4,6,8,10,15,17-19,23H,5,7,9,11-12H2/t15?,17-,18+,19?/m0/s1
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n/an/a 1.69E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine (0.5 nM) binding to Noradrenaline transporter


J Med Chem 41: 247-57 (1998)


Article DOI: 10.1021/jm970669p
BindingDB Entry DOI: 10.7270/Q2P55P6D
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50062375
PNG
((2S,3S,8R)-2-(Benzo[1,3]dioxol-5-yloxymethyl)-3-(4...)
Show SMILES Fc1ccc(cc1)[C@H]1CC2CCC(N2)[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C21H22FNO3/c22-14-3-1-13(2-4-14)17-9-15-5-7-19(23-15)18(17)11-24-16-6-8-20-21(10-16)26-12-25-20/h1-4,6,8,10,15,17-19,23H,5,7,9,11-12H2/t15?,17-,18+,19?/m1/s1
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n/an/a 1.99E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine (0.5 nM) binding to Noradrenaline transporter


J Med Chem 41: 247-57 (1998)


Article DOI: 10.1021/jm970669p
BindingDB Entry DOI: 10.7270/Q2P55P6D
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50062376
PNG
((2R,3S,8S)-2-(Benzo[1,3]dioxol-5-yloxymethyl)-3-(4...)
Show SMILES Fc1ccc(cc1)[C@H]1CC2CCC(N2)[C@@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C21H22FNO3/c22-14-3-1-13(2-4-14)17-9-15-5-7-19(23-15)18(17)11-24-16-6-8-20-21(10-16)26-12-25-20/h1-4,6,8,10,15,17-19,23H,5,7,9,11-12H2/t15?,17-,18-,19?/m1/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine (0.5 nM) binding to Noradrenaline transporter


J Med Chem 41: 247-57 (1998)


Article DOI: 10.1021/jm970669p
BindingDB Entry DOI: 10.7270/Q2P55P6D
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50062368
PNG
((2S,3S,8R)-2-(Benzo[1,3]dioxol-5-yloxymethyl)-3-(4...)
Show SMILES CN1C2CCC1[C@@H](COc1ccc3OCOc3c1)[C@H](C2)c1ccc(F)cc1
Show InChI InChI=1S/C22H24FNO3/c1-24-16-6-8-20(24)19(18(10-16)14-2-4-15(23)5-3-14)12-25-17-7-9-21-22(11-17)27-13-26-21/h2-5,7,9,11,16,18-20H,6,8,10,12-13H2,1H3/t16?,18-,19+,20?/m1/s1
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n/an/a 2.92E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine (0.5 nM) binding to Noradrenaline transporter


J Med Chem 41: 247-57 (1998)


Article DOI: 10.1021/jm970669p
BindingDB Entry DOI: 10.7270/Q2P55P6D
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50062368
PNG
((2S,3S,8R)-2-(Benzo[1,3]dioxol-5-yloxymethyl)-3-(4...)
Show SMILES CN1C2CCC1[C@@H](COc1ccc3OCOc3c1)[C@H](C2)c1ccc(F)cc1
Show InChI InChI=1S/C22H24FNO3/c1-24-16-6-8-20(24)19(18(10-16)14-2-4-15(23)5-3-14)12-25-17-7-9-21-22(11-17)27-13-26-21/h2-5,7,9,11,16,18-20H,6,8,10,12-13H2,1H3/t16?,18-,19+,20?/m1/s1
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n/an/a 5.30E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine (0.5 nM) binding to Noradrenaline transporter


J Med Chem 41: 247-57 (1998)


Article DOI: 10.1021/jm970669p
BindingDB Entry DOI: 10.7270/Q2P55P6D
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50062368
PNG
((2S,3S,8R)-2-(Benzo[1,3]dioxol-5-yloxymethyl)-3-(4...)
Show SMILES CN1C2CCC1[C@@H](COc1ccc3OCOc3c1)[C@H](C2)c1ccc(F)cc1
Show InChI InChI=1S/C22H24FNO3/c1-24-16-6-8-20(24)19(18(10-16)14-2-4-15(23)5-3-14)12-25-17-7-9-21-22(11-17)27-13-26-21/h2-5,7,9,11,16,18-20H,6,8,10,12-13H2,1H3/t16?,18-,19+,20?/m1/s1
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n/an/a 1.24E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine (0.5 nM) binding to Noradrenaline transporter


J Med Chem 41: 247-57 (1998)


Article DOI: 10.1021/jm970669p
BindingDB Entry DOI: 10.7270/Q2P55P6D
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50062372
PNG
((2S,3R,8R)-2-(Benzo[1,3]dioxol-5-yloxymethyl)-3-(4...)
Show SMILES Fc1ccc(cc1)[C@@H]1CC2CCC(N2)[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C21H22FNO3/c22-14-3-1-13(2-4-14)17-9-15-5-7-19(23-15)18(17)11-24-16-6-8-20-21(10-16)26-12-25-20/h1-4,6,8,10,15,17-19,23H,5,7,9,11-12H2/t15?,17-,18-,19?/m0/s1
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n/an/a 1.73E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine (0.5 nM) binding to Noradrenaline transporter


J Med Chem 41: 247-57 (1998)


Article DOI: 10.1021/jm970669p
BindingDB Entry DOI: 10.7270/Q2P55P6D
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50062368
PNG
((2S,3S,8R)-2-(Benzo[1,3]dioxol-5-yloxymethyl)-3-(4...)
Show SMILES CN1C2CCC1[C@@H](COc1ccc3OCOc3c1)[C@H](C2)c1ccc(F)cc1
Show InChI InChI=1S/C22H24FNO3/c1-24-16-6-8-20(24)19(18(10-16)14-2-4-15(23)5-3-14)12-25-17-7-9-21-22(11-17)27-13-26-21/h2-5,7,9,11,16,18-20H,6,8,10,12-13H2,1H3/t16?,18-,19+,20?/m1/s1
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n/an/a 2.66E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine (0.5 nM) binding to Noradrenaline transporter


J Med Chem 41: 247-57 (1998)


Article DOI: 10.1021/jm970669p
BindingDB Entry DOI: 10.7270/Q2P55P6D
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50062368
PNG
((2S,3S,8R)-2-(Benzo[1,3]dioxol-5-yloxymethyl)-3-(4...)
Show SMILES CN1C2CCC1[C@@H](COc1ccc3OCOc3c1)[C@H](C2)c1ccc(F)cc1
Show InChI InChI=1S/C22H24FNO3/c1-24-16-6-8-20(24)19(18(10-16)14-2-4-15(23)5-3-14)12-25-17-7-9-21-22(11-17)27-13-26-21/h2-5,7,9,11,16,18-20H,6,8,10,12-13H2,1H3/t16?,18-,19+,20?/m1/s1
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n/an/a 2.76E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine (0.5 nM) binding to Noradrenaline transporter


J Med Chem 41: 247-57 (1998)


Article DOI: 10.1021/jm970669p
BindingDB Entry DOI: 10.7270/Q2P55P6D
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50062375
PNG
((2S,3S,8R)-2-(Benzo[1,3]dioxol-5-yloxymethyl)-3-(4...)
Show SMILES Fc1ccc(cc1)[C@H]1CC2CCC(N2)[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C21H22FNO3/c22-14-3-1-13(2-4-14)17-9-15-5-7-19(23-15)18(17)11-24-16-6-8-20-21(10-16)26-12-25-20/h1-4,6,8,10,15,17-19,23H,5,7,9,11-12H2/t15?,17-,18+,19?/m1/s1
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PubMed
n/an/a 3.74E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine (0.5 nM) binding to Noradrenaline transporter


J Med Chem 41: 247-57 (1998)


Article DOI: 10.1021/jm970669p
BindingDB Entry DOI: 10.7270/Q2P55P6D
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%