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Compile Data Set for Download or QSAR

Found 405 hits with Last Name = 'pumar' and Initial = 'mc'   
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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0.700n/an/an/an/an/an/an/an/a



FAES FARMA S A

Curated by ChEMBL


Assay Description
Binding affinity to the serotonin transporter (SERT) measured by displacement of [3H]paroxetine in male wistar rats


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transporter


(Rattus norvegicus)
BDBM50005536
PNG
(42-548 | 5-(4-Chloro-phenyl)-2,5-dihydro-3H-imidaz...)
Show SMILES OC1(N2CCN=C2c2ccccc12)c1ccc(Cl)cc1 |c:5|
Show InChI InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2
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0.800n/an/an/an/an/an/an/an/a



FAES FARMA S A

Curated by ChEMBL


Assay Description
Binding affinity against norepinephrine transporter (NET) by displacement of [3H]nisoxetine in male wistar rats


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50136200
PNG
(4-[(4-Fluoro-phenoxy)-(4-fluoro-phenyl)-methyl]-pi...)
Show SMILES Fc1ccc(OC(C2CCNCC2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C18H19F2NO/c19-15-3-1-13(2-4-15)18(14-9-11-21-12-10-14)22-17-7-5-16(20)6-8-17/h1-8,14,18,21H,9-12H2
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0.900n/an/an/an/an/an/an/an/a



FAES FARMA S A

Curated by ChEMBL


Assay Description
Binding affinity to the serotonin transporter (SERT) measured by displacement of [3H]paroxetine in male wistar rats


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50136145
PNG
(4-[(4-Fluoro-phenyl)-(4-methoxy-phenoxy)-methyl]-p...)
Show SMILES COc1ccc(OC(C2CCNCC2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C19H22FNO2/c1-22-17-6-8-18(9-7-17)23-19(15-10-12-21-13-11-15)14-2-4-16(20)5-3-14/h2-9,15,19,21H,10-13H2,1H3
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0.900n/an/an/an/an/an/an/an/a



FAES FARMA S A

Curated by ChEMBL


Assay Description
Binding affinity to the serotonin transporter (SERT) measured by displacement of [3H]paroxetine in male wistar rats


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50136144
PNG
(4-[(3-Fluoro-phenoxy)-phenyl-methyl]-piperidine | ...)
Show SMILES Fc1cccc(OC(C2CCNCC2)c2ccccc2)c1
Show InChI InChI=1S/C18H20FNO/c19-16-7-4-8-17(13-16)21-18(14-5-2-1-3-6-14)15-9-11-20-12-10-15/h1-8,13,15,18,20H,9-12H2
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1n/an/an/an/an/an/an/an/a



FAES FARMA S A

Curated by ChEMBL


Assay Description
Binding affinity to the serotonin transporter (SERT) measured by displacement of [3H]paroxetine in male wistar rats


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50136154
PNG
(4-[(4-Fluoro-phenoxy)-phenyl-methyl]-piperidine | ...)
Show SMILES Fc1ccc(OC(C2CCNCC2)c2ccccc2)cc1
Show InChI InChI=1S/C18H20FNO/c19-16-6-8-17(9-7-16)21-18(14-4-2-1-3-5-14)15-10-12-20-13-11-15/h1-9,15,18,20H,10-13H2
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1.10n/an/an/an/an/an/an/an/a



FAES FARMA S A

Curated by ChEMBL


Assay Description
Binding affinity to the serotonin transporter (SERT) measured by displacement of [3H]paroxetine in male wistar rats


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM21393
PNG
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
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1.20n/an/an/an/an/an/an/an/a



FAES FARMA S A

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat hippocampus mambranes


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50136135
PNG
(3-(Phenyl-piperidin-4-yl-methoxy)-benzonitrile | C...)
Show SMILES N#Cc1cccc(OC(C2CCNCC2)c2ccccc2)c1
Show InChI InChI=1S/C19H20N2O/c20-14-15-5-4-8-18(13-15)22-19(16-6-2-1-3-7-16)17-9-11-21-12-10-17/h1-8,13,17,19,21H,9-12H2
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1.40n/an/an/an/an/an/an/an/a



FAES FARMA S A

Curated by ChEMBL


Assay Description
Binding affinity to the serotonin transporter (SERT) measured by displacement of [3H]paroxetine in male wistar rats


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50136135
PNG
(3-(Phenyl-piperidin-4-yl-methoxy)-benzonitrile | C...)
Show SMILES N#Cc1cccc(OC(C2CCNCC2)c2ccccc2)c1
Show InChI InChI=1S/C19H20N2O/c20-14-15-5-4-8-18(13-15)22-19(16-6-2-1-3-7-16)17-9-11-21-12-10-17/h1-8,13,17,19,21H,9-12H2
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1.40n/an/an/an/an/an/an/an/a



FAES FARMA S A

Curated by ChEMBL


Assay Description
Binding affinity to the serotonin transporter (SERT) measured by displacement of [3H]paroxetine in male wistar rats


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50136135
PNG
(3-(Phenyl-piperidin-4-yl-methoxy)-benzonitrile | C...)
Show SMILES N#Cc1cccc(OC(C2CCNCC2)c2ccccc2)c1
Show InChI InChI=1S/C19H20N2O/c20-14-15-5-4-8-18(13-15)22-19(16-6-2-1-3-7-16)17-9-11-21-12-10-17/h1-8,13,17,19,21H,9-12H2
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1.40n/an/an/an/an/an/an/an/a



FAES FARMA S A

Curated by ChEMBL


Assay Description
Binding affinity to the serotonin transporter (SERT) measured by displacement of [3H]paroxetine in male wistar rats


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50136144
PNG
(4-[(3-Fluoro-phenoxy)-phenyl-methyl]-piperidine | ...)
Show SMILES Fc1cccc(OC(C2CCNCC2)c2ccccc2)c1
Show InChI InChI=1S/C18H20FNO/c19-16-7-4-8-17(13-16)21-18(14-5-2-1-3-6-14)15-9-11-20-12-10-15/h1-8,13,15,18,20H,9-12H2
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1.90n/an/an/an/an/an/an/an/a



FAES FARMA S A

Curated by ChEMBL


Assay Description
Binding affinity to the serotonin transporter (SERT) measured by displacement of [3H]paroxetine in male wistar rats


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50136144
PNG
(4-[(3-Fluoro-phenoxy)-phenyl-methyl]-piperidine | ...)
Show SMILES Fc1cccc(OC(C2CCNCC2)c2ccccc2)c1
Show InChI InChI=1S/C18H20FNO/c19-16-7-4-8-17(13-16)21-18(14-5-2-1-3-6-14)15-9-11-20-12-10-15/h1-8,13,15,18,20H,9-12H2
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1.90n/an/an/an/an/an/an/an/a



FAES FARMA S A

Curated by ChEMBL


Assay Description
Binding affinity to the serotonin transporter (SERT) measured by displacement of [3H]paroxetine in male wistar rats


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50136132
PNG
(4-[(3-Fluoro-5-methoxy-phenoxy)-phenyl-methyl]-pip...)
Show SMILES COc1cc(F)cc(OC(C2CCNCC2)c2ccccc2)c1
Show InChI InChI=1S/C19H22FNO2/c1-22-17-11-16(20)12-18(13-17)23-19(14-5-3-2-4-6-14)15-7-9-21-10-8-15/h2-6,11-13,15,19,21H,7-10H2,1H3
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1.90n/an/an/an/an/an/an/an/a



FAES FARMA S A

Curated by ChEMBL


Assay Description
Binding affinity to the serotonin transporter (SERT) measured by displacement of [3H]paroxetine in male wistar rats


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50136131
PNG
(4-[(4-Bromo-phenoxy)-phenyl-methyl]-piperidine | C...)
Show SMILES Brc1ccc(OC(C2CCNCC2)c2ccccc2)cc1
Show InChI InChI=1S/C18H20BrNO/c19-16-6-8-17(9-7-16)21-18(14-4-2-1-3-5-14)15-10-12-20-13-11-15/h1-9,15,18,20H,10-13H2
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2n/an/an/an/an/an/an/an/a



FAES FARMA S A

Curated by ChEMBL


Assay Description
Binding affinity to the serotonin transporter (SERT) measured by displacement of [3H]paroxetine in male wistar rats


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50136169
PNG
(3-Fluoro-5-(phenyl-piperidin-4-yl-methoxy)-phenol ...)
Show SMILES Oc1cc(F)cc(OC(C2CCNCC2)c2ccccc2)c1
Show InChI InChI=1S/C18H20FNO2/c19-15-10-16(21)12-17(11-15)22-18(13-4-2-1-3-5-13)14-6-8-20-9-7-14/h1-5,10-12,14,18,20-21H,6-9H2
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2n/an/an/an/an/an/an/an/a



FAES FARMA S A

Curated by ChEMBL


Assay Description
Binding affinity to the serotonin transporter (SERT) measured by displacement of [3H]paroxetine in male wistar rats


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50136157
PNG
(4-(Phenoxy-phenyl-methyl)-piperidine | CHEMBL44718...)
Show SMILES C1CC(CCN1)C(Oc1ccccc1)c1ccccc1
Show InChI InChI=1S/C18H21NO/c1-3-7-15(8-4-1)18(16-11-13-19-14-12-16)20-17-9-5-2-6-10-17/h1-10,16,18-19H,11-14H2
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2.30n/an/an/an/an/an/an/an/a



FAES FARMA S A

Curated by ChEMBL


Assay Description
Binding affinity to the serotonin transporter (SERT) measured by displacement of [3H]paroxetine in male wistar rats


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50136143
PNG
(4-[(4-Nitro-phenoxy)-phenyl-methyl]-piperidine | C...)
Show SMILES [O-][N+](=O)c1ccc(OC(C2CCNCC2)c2ccccc2)cc1
Show InChI InChI=1S/C18H20N2O3/c21-20(22)16-6-8-17(9-7-16)23-18(14-4-2-1-3-5-14)15-10-12-19-13-11-15/h1-9,15,18-19H,10-13H2
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2.40n/an/an/an/an/an/an/an/a



FAES FARMA S A

Curated by ChEMBL


Assay Description
Binding affinity to the serotonin transporter (SERT) measured by displacement of [3H]paroxetine in male wistar rats


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50136133
PNG
(4-[(3-Chloro-phenoxy)-phenyl-methyl]-piperidine | ...)
Show SMILES Clc1cccc(OC(C2CCNCC2)c2ccccc2)c1
Show InChI InChI=1S/C18H20ClNO/c19-16-7-4-8-17(13-16)21-18(14-5-2-1-3-6-14)15-9-11-20-12-10-15/h1-8,13,15,18,20H,9-12H2
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2.60n/an/an/an/an/an/an/an/a



FAES FARMA S A

Curated by ChEMBL


Assay Description
Binding affinity to the serotonin transporter (SERT) measured by displacement of [3H]paroxetine in male wistar rats


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50136171
PNG
(3-Fluoro-5-(phenyl-piperidin-4-yl-methoxy)-benzoni...)
Show SMILES Fc1cc(OC(C2CCNCC2)c2ccccc2)cc(c1)C#N
Show InChI InChI=1S/C19H19FN2O/c20-17-10-14(13-21)11-18(12-17)23-19(15-4-2-1-3-5-15)16-6-8-22-9-7-16/h1-5,10-12,16,19,22H,6-9H2
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2.60n/an/an/an/an/an/an/an/a



FAES FARMA S A

Curated by ChEMBL


Assay Description
Binding affinity to the serotonin transporter (SERT) measured by displacement of [3H]paroxetine in male wistar rats


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50136172
PNG
(4-[(3-Fluoro-phenoxy)-(3-fluoro-phenyl)-methyl]-pi...)
Show SMILES Fc1cccc(OC(C2CCNCC2)c2cccc(F)c2)c1
Show InChI InChI=1S/C18H19F2NO/c19-15-4-1-3-14(11-15)18(13-7-9-21-10-8-13)22-17-6-2-5-16(20)12-17/h1-6,11-13,18,21H,7-10H2
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2.80n/an/an/an/an/an/an/an/a



FAES FARMA S A

Curated by ChEMBL


Assay Description
Binding affinity to the serotonin transporter (SERT) measured by displacement of [3H]paroxetine in male wistar rats


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50136133
PNG
(4-[(3-Chloro-phenoxy)-phenyl-methyl]-piperidine | ...)
Show SMILES Clc1cccc(OC(C2CCNCC2)c2ccccc2)c1
Show InChI InChI=1S/C18H20ClNO/c19-16-7-4-8-17(13-16)21-18(14-5-2-1-3-6-14)15-9-11-20-12-10-15/h1-8,13,15,18,20H,9-12H2
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3n/an/an/an/an/an/an/an/a



FAES FARMA S A

Curated by ChEMBL


Assay Description
Binding affinity to the serotonin transporter (SERT) measured by displacement of [3H]paroxetine in male wistar rats


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50136133
PNG
(4-[(3-Chloro-phenoxy)-phenyl-methyl]-piperidine | ...)
Show SMILES Clc1cccc(OC(C2CCNCC2)c2ccccc2)c1
Show InChI InChI=1S/C18H20ClNO/c19-16-7-4-8-17(13-16)21-18(14-5-2-1-3-6-14)15-9-11-20-12-10-15/h1-8,13,15,18,20H,9-12H2
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3n/an/an/an/an/an/an/an/a



FAES FARMA S A

Curated by ChEMBL


Assay Description
Binding affinity to the serotonin transporter (SERT) measured by displacement of [3H]paroxetine in male wistar rats


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50136138
PNG
(4-[(3,5-Difluoro-phenoxy)-phenyl-methyl]-piperidin...)
Show SMILES Fc1cc(F)cc(OC(C2CCNCC2)c2ccccc2)c1
Show InChI InChI=1S/C18H19F2NO/c19-15-10-16(20)12-17(11-15)22-18(13-4-2-1-3-5-13)14-6-8-21-9-7-14/h1-5,10-12,14,18,21H,6-9H2
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3.40n/an/an/an/an/an/an/an/a



FAES FARMA S A

Curated by ChEMBL


Assay Description
Binding affinity to the serotonin transporter (SERT) measured by displacement of [3H]paroxetine in male wistar rats


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50136191
PNG
(4-[(3-Iodo-phenoxy)-phenyl-methyl]-piperidine | CH...)
Show SMILES Ic1cccc(OC(C2CCNCC2)c2ccccc2)c1
Show InChI InChI=1S/C18H20INO/c19-16-7-4-8-17(13-16)21-18(14-5-2-1-3-6-14)15-9-11-20-12-10-15/h1-8,13,15,18,20H,9-12H2
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3.70n/an/an/an/an/an/an/an/a



FAES FARMA S A

Curated by ChEMBL


Assay Description
Binding affinity to the serotonin transporter (SERT) measured by displacement of [3H]paroxetine in male wistar rats


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50136162
PNG
(2-Chloro-4-(phenyl-piperidin-4-yl-methoxy)-benzoni...)
Show SMILES Clc1cc(OC(C2CCNCC2)c2ccccc2)ccc1C#N
Show InChI InChI=1S/C19H19ClN2O/c20-18-12-17(7-6-16(18)13-21)23-19(14-4-2-1-3-5-14)15-8-10-22-11-9-15/h1-7,12,15,19,22H,8-11H2
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3.90n/an/an/an/an/an/an/an/a



FAES FARMA S A

Curated by ChEMBL


Assay Description
Binding affinity to the serotonin transporter (SERT) measured by displacement of [3H]paroxetine in male wistar rats


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50136127
PNG
(4-[(2-Fluoro-phenoxy)-phenyl-methyl]-piperidine | ...)
Show SMILES Fc1ccccc1OC(C1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H20FNO/c19-16-8-4-5-9-17(16)21-18(14-6-2-1-3-7-14)15-10-12-20-13-11-15/h1-9,15,18,20H,10-13H2
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4.20n/an/an/an/an/an/an/an/a



FAES FARMA S A

Curated by ChEMBL


Assay Description
Binding affinity to the serotonin transporter (SERT) measured by displacement of [3H]paroxetine in male wistar rats


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50136164
PNG
(3-[(Benzo[1,3]dioxol-5-yloxy)-(4-fluoro-phenyl)-me...)
Show SMILES Fc1ccc(cc1)C(Oc1ccc2OCOc2c1)C1CCCNC1
Show InChI InChI=1S/C19H20FNO3/c20-15-5-3-13(4-6-15)19(14-2-1-9-21-11-14)24-16-7-8-17-18(10-16)23-12-22-17/h3-8,10,14,19,21H,1-2,9,11-12H2
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4.20n/an/an/an/an/an/an/an/a



FAES FARMA S A

Curated by ChEMBL


Assay Description
Binding affinity to the serotonin transporter (SERT) measured by displacement of [3H]paroxetine in male wistar rats


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50136127
PNG
(4-[(2-Fluoro-phenoxy)-phenyl-methyl]-piperidine | ...)
Show SMILES Fc1ccccc1OC(C1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H20FNO/c19-16-8-4-5-9-17(16)21-18(14-6-2-1-3-7-14)15-10-12-20-13-11-15/h1-9,15,18,20H,10-13H2
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4.20n/an/an/an/an/an/an/an/a



FAES FARMA S A

Curated by ChEMBL


Assay Description
Binding affinity to the serotonin transporter (SERT) measured by displacement of [3H]paroxetine in male wistar rats


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50136129
PNG
(4-[(2-Fluoro-phenoxy)-(3-fluoro-phenyl)-methyl]-pi...)
Show SMILES Fc1cccc(c1)C(Oc1ccccc1F)C1CCNCC1
Show InChI InChI=1S/C18H19F2NO/c19-15-5-3-4-14(12-15)18(13-8-10-21-11-9-13)22-17-7-2-1-6-16(17)20/h1-7,12-13,18,21H,8-11H2
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4.30n/an/an/an/an/an/an/an/a



FAES FARMA S A

Curated by ChEMBL


Assay Description
Binding affinity to the serotonin transporter (SERT) measured by displacement of [3H]paroxetine in male wistar rats


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50136129
PNG
(4-[(2-Fluoro-phenoxy)-(3-fluoro-phenyl)-methyl]-pi...)
Show SMILES Fc1cccc(c1)C(Oc1ccccc1F)C1CCNCC1
Show InChI InChI=1S/C18H19F2NO/c19-15-5-3-4-14(12-15)18(13-8-10-21-11-9-13)22-17-7-2-1-6-16(17)20/h1-7,12-13,18,21H,8-11H2
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4.30n/an/an/an/an/an/an/an/a



FAES FARMA S A

Curated by ChEMBL


Assay Description
Binding affinity to the serotonin transporter (SERT) measured by displacement of [3H]paroxetine in male wistar rats


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50136178
PNG
(4-[(3-Fluoro-2-methyl-phenoxy)-phenyl-methyl]-pipe...)
Show SMILES Cc1c(F)cccc1OC(C1CCNCC1)c1ccccc1
Show InChI InChI=1S/C19H22FNO/c1-14-17(20)8-5-9-18(14)22-19(15-6-3-2-4-7-15)16-10-12-21-13-11-16/h2-9,16,19,21H,10-13H2,1H3
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5.30n/an/an/an/an/an/an/an/a



FAES FARMA S A

Curated by ChEMBL


Assay Description
Binding affinity to the serotonin transporter (SERT) measured by displacement of [3H]paroxetine in male wistar rats


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50136149
PNG
(3-{4-[3-(2-Fluoro-phenoxy)-3-phenyl-propyl]-pipera...)
Show SMILES Fc1ccccc1OC(CCN1CCN(CC1)c1nsc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H26FN3OS/c27-22-11-5-6-12-24(22)31-23(20-8-2-1-3-9-20)14-15-29-16-18-30(19-17-29)26-21-10-4-7-13-25(21)32-28-26/h1-13,23H,14-19H2
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5.30n/an/an/an/an/an/an/an/a



FAES FARMA S A

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2A receptor by displacement of [3H]ketanserin from rat prefrontal cerebral cortex mambranes


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50136202
PNG
(4-[(4-Fluoro-phenoxy)-(3-fluoro-phenyl)-methyl]-pi...)
Show SMILES Fc1ccc(OC(C2CCNCC2)c2cccc(F)c2)cc1
Show InChI InChI=1S/C18H19F2NO/c19-15-4-6-17(7-5-15)22-18(13-8-10-21-11-9-13)14-2-1-3-16(20)12-14/h1-7,12-13,18,21H,8-11H2
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5.80n/an/an/an/an/an/an/an/a



FAES FARMA S A

Curated by ChEMBL


Assay Description
Binding affinity to the serotonin transporter (SERT) measured by displacement of [3H]paroxetine in male wistar rats


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50136127
PNG
(4-[(2-Fluoro-phenoxy)-phenyl-methyl]-piperidine | ...)
Show SMILES Fc1ccccc1OC(C1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H20FNO/c19-16-8-4-5-9-17(16)21-18(14-6-2-1-3-7-14)15-10-12-20-13-11-15/h1-9,15,18,20H,10-13H2
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6.30n/an/an/an/an/an/an/an/a



FAES FARMA S A

Curated by ChEMBL


Assay Description
Binding affinity to the serotonin transporter (SERT) measured by displacement of [3H]paroxetine in male wistar rats


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50136138
PNG
(4-[(3,5-Difluoro-phenoxy)-phenyl-methyl]-piperidin...)
Show SMILES Fc1cc(F)cc(OC(C2CCNCC2)c2ccccc2)c1
Show InChI InChI=1S/C18H19F2NO/c19-15-10-16(20)12-17(11-15)22-18(13-4-2-1-3-5-13)14-6-8-21-9-7-14/h1-5,10-12,14,18,21H,6-9H2
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7.10n/an/an/an/an/an/an/an/a



FAES FARMA S A

Curated by ChEMBL


Assay Description
Binding affinity to the serotonin transporter (SERT) measured by displacement of [3H]paroxetine in male wistar rats


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50136138
PNG
(4-[(3,5-Difluoro-phenoxy)-phenyl-methyl]-piperidin...)
Show SMILES Fc1cc(F)cc(OC(C2CCNCC2)c2ccccc2)c1
Show InChI InChI=1S/C18H19F2NO/c19-15-10-16(20)12-17(11-15)22-18(13-4-2-1-3-5-13)14-6-8-21-9-7-14/h1-5,10-12,14,18,21H,6-9H2
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7.10n/an/an/an/an/an/an/an/a



FAES FARMA S A

Curated by ChEMBL


Assay Description
Binding affinity to the serotonin transporter (SERT) measured by displacement of [3H]paroxetine in male wistar rats


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50136141
PNG
(4-[(4-Chloro-phenyl)-(4-fluoro-phenoxy)-methyl]-pi...)
Show SMILES Fc1ccc(OC(C2CCNCC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H19ClFNO/c19-15-3-1-13(2-4-15)18(14-9-11-21-12-10-14)22-17-7-5-16(20)6-8-17/h1-8,14,18,21H,9-12H2
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7.5n/an/an/an/an/an/an/an/a



FAES FARMA S A

Curated by ChEMBL


Assay Description
Binding affinity to the serotonin transporter (SERT) measured by displacement of [3H]paroxetine in male wistar rats


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50136159
PNG
(4-(2-Fluoro-phenoxy)-1-[1-(4-fluoro-phenyl)-piperi...)
Show SMILES Fc1ccc(cc1)N1CCC(CC1)C(=O)CCC(Oc1ccccc1F)c1ccccc1
Show InChI InChI=1S/C27H27F2NO2/c28-22-10-12-23(13-11-22)30-18-16-20(17-19-30)25(31)14-15-26(21-6-2-1-3-7-21)32-27-9-5-4-8-24(27)29/h1-13,20,26H,14-19H2
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8n/an/an/an/an/an/an/an/a



FAES FARMA S A

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2A receptor by displacement of [3H]ketanserin from rat prefrontal cerebral cortex mambranes


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50136182
PNG
(4-[(2-Chloro-phenoxy)-phenyl-methyl]-piperidine | ...)
Show SMILES Clc1ccccc1OC(C1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H20ClNO/c19-16-8-4-5-9-17(16)21-18(14-6-2-1-3-7-14)15-10-12-20-13-11-15/h1-9,15,18,20H,10-13H2
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8.20n/an/an/an/an/an/an/an/a



FAES FARMA S A

Curated by ChEMBL


Assay Description
Binding affinity to the serotonin transporter (SERT) measured by displacement of [3H]paroxetine in male wistar rats


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50136134
PNG
(4-[(Naphthalen-1-yloxy)-phenyl-methyl]-piperidine ...)
Show SMILES C1CC(CCN1)C(Oc1cccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C22H23NO/c1-2-8-18(9-3-1)22(19-13-15-23-16-14-19)24-21-12-6-10-17-7-4-5-11-20(17)21/h1-12,19,22-23H,13-16H2
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8.30n/an/an/an/an/an/an/an/a



FAES FARMA S A

Curated by ChEMBL


Assay Description
Binding affinity to the serotonin transporter (SERT) measured by displacement of [3H]paroxetine in male wistar rats


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50136134
PNG
(4-[(Naphthalen-1-yloxy)-phenyl-methyl]-piperidine ...)
Show SMILES C1CC(CCN1)C(Oc1cccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C22H23NO/c1-2-8-18(9-3-1)22(19-13-15-23-16-14-19)24-21-12-6-10-17-7-4-5-11-20(17)21/h1-12,19,22-23H,13-16H2
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8.30n/an/an/an/an/an/an/an/a



FAES FARMA S A

Curated by ChEMBL


Assay Description
Binding affinity to the serotonin transporter (SERT) measured by displacement of [3H]paroxetine in male wistar rats


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50136147
PNG
(4-[Phenyl-(3-trifluoromethyl-phenoxy)-methyl]-pipe...)
Show SMILES FC(F)(F)c1cccc(OC(C2CCNCC2)c2ccccc2)c1
Show InChI InChI=1S/C19H20F3NO/c20-19(21,22)16-7-4-8-17(13-16)24-18(14-5-2-1-3-6-14)15-9-11-23-12-10-15/h1-8,13,15,18,23H,9-12H2
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9n/an/an/an/an/an/an/an/a



FAES FARMA S A

Curated by ChEMBL


Assay Description
Binding affinity to the serotonin transporter (SERT) measured by displacement of [3H]paroxetine in male wistar rats


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50136129
PNG
(4-[(2-Fluoro-phenoxy)-(3-fluoro-phenyl)-methyl]-pi...)
Show SMILES Fc1cccc(c1)C(Oc1ccccc1F)C1CCNCC1
Show InChI InChI=1S/C18H19F2NO/c19-15-5-3-4-14(12-15)18(13-8-10-21-11-9-13)22-17-7-2-1-6-16(17)20/h1-7,12-13,18,21H,8-11H2
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9.30n/an/an/an/an/an/an/an/a



FAES FARMA S A

Curated by ChEMBL


Assay Description
Binding affinity to the serotonin transporter (SERT) measured by displacement of [3H]paroxetine in male wistar rats


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM22417
PNG
(3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-ami...)
Show SMILES CNCCC(Oc1ccccc1OC)c1ccccc1
Show InChI InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3
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9.90n/an/an/an/an/an/an/an/a



FAES FARMA S A

Curated by ChEMBL


Assay Description
Binding affinity against norepinephrine transporter (NET) by displacement of [3H]nisoxetine in male wistar rats


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50136150
PNG
(4-[(3,4-Dichloro-phenoxy)-phenyl-methyl]-piperidin...)
Show SMILES Clc1ccc(OC(C2CCNCC2)c2ccccc2)cc1Cl
Show InChI InChI=1S/C18H19Cl2NO/c19-16-7-6-15(12-17(16)20)22-18(13-4-2-1-3-5-13)14-8-10-21-11-9-14/h1-7,12,14,18,21H,8-11H2
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9.90n/an/an/an/an/an/an/an/a



FAES FARMA S A

Curated by ChEMBL


Assay Description
Binding affinity to the serotonin transporter (SERT) measured by displacement of [3H]paroxetine in male wistar rats


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50136172
PNG
(4-[(3-Fluoro-phenoxy)-(3-fluoro-phenyl)-methyl]-pi...)
Show SMILES Fc1cccc(OC(C2CCNCC2)c2cccc(F)c2)c1
Show InChI InChI=1S/C18H19F2NO/c19-15-4-1-3-14(11-15)18(13-7-9-21-10-8-13)22-17-6-2-5-16(20)12-17/h1-6,11-13,18,21H,7-10H2
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10n/an/an/an/an/an/an/an/a



FAES FARMA S A

Curated by ChEMBL


Assay Description
Binding affinity to the serotonin transporter (SERT) measured by displacement of [3H]paroxetine in male wistar rats


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50136204
PNG
(4-[(3-Bromo-phenoxy)-phenyl-methyl]-piperidine | C...)
Show SMILES Brc1cccc(OC(C2CCNCC2)c2ccccc2)c1
Show InChI InChI=1S/C18H20BrNO/c19-16-7-4-8-17(13-16)21-18(14-5-2-1-3-6-14)15-9-11-20-12-10-15/h1-8,13,15,18,20H,9-12H2
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10n/an/an/an/an/an/an/an/a



FAES FARMA S A

Curated by ChEMBL


Assay Description
Binding affinity to the serotonin transporter (SERT) measured by displacement of [3H]paroxetine in male wistar rats


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50136172
PNG
(4-[(3-Fluoro-phenoxy)-(3-fluoro-phenyl)-methyl]-pi...)
Show SMILES Fc1cccc(OC(C2CCNCC2)c2cccc(F)c2)c1
Show InChI InChI=1S/C18H19F2NO/c19-15-4-1-3-14(11-15)18(13-7-9-21-10-8-13)22-17-6-2-5-16(20)12-17/h1-6,11-13,18,21H,7-10H2
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10n/an/an/an/an/an/an/an/a



FAES FARMA S A

Curated by ChEMBL


Assay Description
Binding affinity to the serotonin transporter (SERT) measured by displacement of [3H]paroxetine in male wistar rats


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50136209
PNG
(3-{4-[3-(4-Methoxy-phenoxy)-3-phenyl-propyl]-piper...)
Show SMILES COc1ccc(OC(CCN2CCN(CC2)c2nsc3ccccc23)c2ccccc2)cc1
Show InChI InChI=1S/C27H29N3O2S/c1-31-22-11-13-23(14-12-22)32-25(21-7-3-2-4-8-21)15-16-29-17-19-30(20-18-29)27-24-9-5-6-10-26(24)33-28-27/h2-14,25H,15-20H2,1H3
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10.2n/an/an/an/an/an/an/an/a



FAES FARMA S A

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2A receptor by displacement of [3H]ketanserin from rat prefrontal cerebral cortex mambranes


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50136156
PNG
(4-[(3-Chloro-2-methyl-phenoxy)-phenyl-methyl]-pipe...)
Show SMILES Cc1c(Cl)cccc1OC(C1CCNCC1)c1ccccc1
Show InChI InChI=1S/C19H22ClNO/c1-14-17(20)8-5-9-18(14)22-19(15-6-3-2-4-7-15)16-10-12-21-13-11-16/h2-9,16,19,21H,10-13H2,1H3
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12.2n/an/an/an/an/an/an/an/a



FAES FARMA S A

Curated by ChEMBL


Assay Description
Binding affinity to the serotonin transporter (SERT) measured by displacement of [3H]paroxetine in male wistar rats


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair
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