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8 similar compounds to monomer 22416

Compile data set for download or QSAR
Wt: 329.3
BDBM86422
Purchase
Wt: 369.4
BDBM50062368
Wt: 355.4
BDBM50062372
Wt: 355.4
BDBM50062374
Wt: 355.4
BDBM50062375
Wt: 355.4
BDBM50062376
Wt: 628.7
BDBM50072747
Wt: 329.3
BDBM50331515
Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 57 hits for monomerid = 86422,50062368,50062372,50062374,50062375,50062376,50072747,50331515   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50331515
PNG
(CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...)
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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0.0500n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from serotonin transporter in Sprague-Dawley rat brain after 1 hr by liquid scintillation counting


Bioorg Med Chem 18: 8356-64 (2010)


Article DOI: 10.1016/j.bmc.2010.09.060
BindingDB Entry DOI: 10.7270/Q2CN744P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50331515
PNG
(CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...)
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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0.0800n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in human platelet membrane


Bioorg Med Chem Lett 18: 5140-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.084
BindingDB Entry DOI: 10.7270/Q2WS8V4S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
SLC6A4


(MOUSE)
BDBM86422
PNG
(CAS_61869-08-7 | NSC_43815 | PAROXETINE)
Show SMILES Fc1ccc(cc1)C1CCNCC1COc1ccc2OCOc2c1
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
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4.70n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by PDSP Ki Database




J Pharmacol Exp Ther 308: 481-6 (2004)


Article DOI: 10.1124/jpet.103.058636
BindingDB Entry DOI: 10.7270/Q2QZ28J1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transporter


(Rattus norvegicus (rat))
BDBM50331515
PNG
(CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...)
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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59n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from norepinephrine transporter in Sprague-Dawley rat frontal cortex after 1 hr by liquid scintillation counting


Bioorg Med Chem 18: 8356-64 (2010)


Article DOI: 10.1016/j.bmc.2010.09.060
BindingDB Entry DOI: 10.7270/Q2CN744P
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50331515
PNG
(CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...)
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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98n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN 35428 from dopamine transporter in Sprague-Dawley rat brain after 1 hr by liquid scintillation counting


Bioorg Med Chem 18: 8356-64 (2010)


Article DOI: 10.1016/j.bmc.2010.09.060
BindingDB Entry DOI: 10.7270/Q2CN744P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50072747
PNG
(1-{6-[(3R,4S)-3-(Benzo[1,3]dioxol-5-yloxymethyl)-4...)
Show SMILES OC(CNCCCCCCN1CC[C@@H]([C@@H](COc2ccc3OCOc3c2)C1)c1ccc(F)cc1)COc1cccc2ccccc12
Show InChI InChI=1S/C38H45FN2O5/c39-31-14-12-29(13-15-31)34-18-21-41(24-30(34)25-43-33-16-17-37-38(22-33)46-27-45-37)20-6-2-1-5-19-40-23-32(42)26-44-36-11-7-9-28-8-3-4-10-35(28)36/h3-4,7-17,22,30,32,34,40,42H,1-2,5-6,18-21,23-27H2/t30-,32?,34-/m1/s1
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156n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor


Bioorg Med Chem Lett 8: 3423-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00619-2
BindingDB Entry DOI: 10.7270/Q23J3C4J
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM86422
PNG
(CAS_61869-08-7 | NSC_43815 | PAROXETINE)
Show SMILES Fc1ccc(cc1)C1CCNCC1COc1ccc2OCOc2c1
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
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1.00E+3n/an/an/an/an/an/an/an/a



Univ. Tours

Curated by PDSP Ki Database




J Pharmacol Exp Ther 317: 147-52 (2006)


Article DOI: 10.1124/jpet.105.096792
BindingDB Entry DOI: 10.7270/Q2JW8CFZ
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 308n/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
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 172n/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))
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
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
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))
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 294n/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 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 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)
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
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)
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 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
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
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
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50331515
PNG
(CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...)
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 960n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 8 mins by LC-MS/MS analysis


Drug Metab Dispos 40: 943-51 (2012)


Article DOI: 10.1124/dmd.111.043505
BindingDB Entry DOI: 10.7270/Q2PN97D2
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50331515
PNG
(CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...)
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 5.33E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 8 mins by LC-MS/MS analysis


Drug Metab Dispos 40: 943-51 (2012)


Article DOI: 10.1124/dmd.111.043505
BindingDB Entry DOI: 10.7270/Q2PN97D2
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50331515
PNG
(CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...)
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 2.41E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 8 mins by LC-MS/MS analysis


Drug Metab Dispos 40: 943-51 (2012)


Article DOI: 10.1124/dmd.111.043505
BindingDB Entry DOI: 10.7270/Q2PN97D2
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50331515
PNG
(CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...)
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>3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate after 8 mins by LC-MS/MS analysis


Drug Metab Dispos 40: 943-51 (2012)


Article DOI: 10.1124/dmd.111.043505
BindingDB Entry DOI: 10.7270/Q2PN97D2
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50331515
PNG
(CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...)
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>3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate after 8 mins by LC-MS/MS analysis


Drug Metab Dispos 40: 943-51 (2012)


Article DOI: 10.1124/dmd.111.043505
BindingDB Entry DOI: 10.7270/Q2PN97D2
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50331515
PNG
(CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...)
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>3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate after 8 mins by LC-MS/MS analysis


Drug Metab Dispos 40: 943-51 (2012)


Article DOI: 10.1124/dmd.111.043505
BindingDB Entry DOI: 10.7270/Q2PN97D2
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM50331515
PNG
(CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...)
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 6.89E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...


Drug Metab Dispos 40: 2332-41 (2012)

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))
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
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
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
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
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))
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
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))
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 298n/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 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
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
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
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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n/an/a 142n/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))
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)
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 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
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50331515
PNG
(CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...)
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 2.20E+5n/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length human N-terminal GST tagged PKCalpha expressed in Baculovirus infected Sf9 insect cells using KRREILSRRPSYR as ...


J Med Chem 59: 9277-9294 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01939
BindingDB Entry DOI: 10.7270/Q2348NB9
More data for this
Ligand-Target Pair
G protein-coupled receptor kinase 5


(Bos taurus)
BDBM50331515
PNG
(CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...)
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 1.26E+5n/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of bovine GRK5 assessed as decrease in phosphorylation of tubulin after 5 mins by SDS-PAGE analysis


J Med Chem 59: 9277-9294 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01939
BindingDB Entry DOI: 10.7270/Q2348NB9
More data for this
Ligand-Target Pair
Rhodopsin kinase


(Bos taurus)
BDBM50331515
PNG
(CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...)
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 1.58E+5n/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of C-terminal hexahistidine tagged bovine GRK1 (535 residues) assessed as decrease in phosphorylation of tubulin preincubated for 30 mins ...


J Med Chem 59: 9277-9294 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01939
BindingDB Entry DOI: 10.7270/Q2348NB9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
G protein-coupled receptor kinase 5


(Bos taurus)
BDBM50331515
PNG
(CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...)
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 1.26E+5n/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of C-terminal hexahistidine tagged bovine GRK5 (561 residues) assessed as decrease in phosphorylation of tubulin preincubated for 30 mins ...


J Med Chem 59: 9277-9294 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01939
BindingDB Entry DOI: 10.7270/Q2348NB9
More data for this
Ligand-Target Pair
G protein-coupled receptor kinase 5


(Bos taurus)
BDBM50331515
PNG
(CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...)
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 2.51E+5n/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of C-terminal hexahistidine tagged bovine GRK5 (561 residues) assessed as decrease in phosphorylation of light-activated bovine rod outer ...


J Med Chem 59: 9277-9294 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01939
BindingDB Entry DOI: 10.7270/Q2348NB9
More data for this
Ligand-Target Pair
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