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Compile Data Set for Download or QSAR

Found 694 hits with Last Name = 'mosquera' and Initial = 'r'   
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
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM29525
PNG
(3H-GR113808 | CHEMBL518682 | GR 113808 | [3H] GR 1...)
Show SMILES Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
Show InChI InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3
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0.110n/an/an/an/an/an/an/an/a



FAES, S.A.

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 4 receptor in guinea pig striatum using [3H]GR-113808 as radioligand


J Med Chem 42: 2870-80 (1999)


Article DOI: 10.1021/jm981098j
BindingDB Entry DOI: 10.7270/Q24X58GN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)
BDBM50471501
PNG
(CHEMBL62692)
Show SMILES Oc1ccc2n(Cc3ccccc3)c(nc2c1)N1CCNCC1
Show InChI InChI=1S/C18H20N4O/c23-15-6-7-17-16(12-15)20-18(21-10-8-19-9-11-21)22(17)13-14-4-2-1-3-5-14/h1-7,12,19,23H,8-11,13H2
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0.316n/an/an/an/an/an/an/an/a



FAES, S.A.

Curated by ChEMBL


Assay Description
In vitro by displacement of [3H]LY-278584 from 5-hydroxytryptamine 3 receptor on rat entorhinal cortex


J Med Chem 40: 586-93 (1997)


Article DOI: 10.1021/jm960442e
BindingDB Entry DOI: 10.7270/Q2P271TB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)
BDBM50471508
PNG
(CHEMBL63025)
Show SMILES Fc1ccc2n(Cc3ccccc3)c(nc2c1)N1CCNCC1
Show InChI InChI=1S/C18H19FN4/c19-15-6-7-17-16(12-15)21-18(22-10-8-20-9-11-22)23(17)13-14-4-2-1-3-5-14/h1-7,12,20H,8-11,13H2
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0.316n/an/an/an/an/an/an/an/a



FAES, S.A.

Curated by ChEMBL


Assay Description
In vitro by displacement of [3H]LY-278584 from 5-hydroxytryptamine 3 receptor on rat entorhinal cortex


J Med Chem 40: 586-93 (1997)


Article DOI: 10.1021/jm960442e
BindingDB Entry DOI: 10.7270/Q2P271TB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)
BDBM50471510
PNG
(CHEMBL294083)
Show SMILES Clc1ccc2n(Cc3ccccc3)c(nc2c1)N1CCNCC1
Show InChI InChI=1S/C18H19ClN4/c19-15-6-7-17-16(12-15)21-18(22-10-8-20-9-11-22)23(17)13-14-4-2-1-3-5-14/h1-7,12,20H,8-11,13H2
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0.316n/an/an/an/an/an/an/an/a



FAES, S.A.

Curated by ChEMBL


Assay Description
In vitro by displacement of [3H]LY-278584 from 5-hydroxytryptamine 3 receptor on rat entorhinal cortex


J Med Chem 40: 586-93 (1997)


Article DOI: 10.1021/jm960442e
BindingDB Entry DOI: 10.7270/Q2P271TB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)
BDBM50471511
PNG
(CHEMBL294109)
Show SMILES COc1cccc2nc(N3CCNCC3)n(Cc3ccccc3)c12
Show InChI InChI=1S/C19H22N4O/c1-24-17-9-5-8-16-18(17)23(14-15-6-3-2-4-7-15)19(21-16)22-12-10-20-11-13-22/h2-9,20H,10-14H2,1H3
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0.398n/an/an/an/an/an/an/an/a



FAES, S.A.

Curated by ChEMBL


Assay Description
In vitro by displacement of [3H]LY-278584 from 5-hydroxytryptamine 3 receptor on rat entorhinal cortex


J Med Chem 40: 586-93 (1997)


Article DOI: 10.1021/jm960442e
BindingDB Entry DOI: 10.7270/Q2P271TB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)
BDBM50056404
PNG
(3-Isopropyl-2-oxo-2,3-dihydro-benzoimidazole-1-car...)
Show SMILES CC(C)n1c2ccccc2n(C(=O)NC2CC3CCC(C2)N3C)c1=O |TLB:13:14:21:17.18|
Show InChI InChI=1S/C19H26N4O2/c1-12(2)22-16-6-4-5-7-17(16)23(19(22)25)18(24)20-13-10-14-8-9-15(11-13)21(14)3/h4-7,12-15H,8-11H2,1-3H3,(H,20,24)
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0.5n/an/an/an/an/an/an/an/a



FAES, S.A.

Curated by ChEMBL


Assay Description
Inhibitory concentration against 5-hydroxytryptamine 3 receptor in rat enthorinal cortex using [3H]-LY 278584 as radioligand


J Med Chem 42: 2870-80 (1999)


Article DOI: 10.1021/jm981098j
BindingDB Entry DOI: 10.7270/Q24X58GN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50001775
PNG
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)
Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
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0.631n/an/an/an/an/an/an/an/a



FAES, S.A.

Curated by ChEMBL


Assay Description
Binding affinity was evaluated in vitro by displacement of [3H]ketanserin from 5-hydroxytryptamine 2A receptor on rat cortical membrane


J Med Chem 40: 586-93 (1997)


Article DOI: 10.1021/jm960442e
BindingDB Entry DOI: 10.7270/Q2P271TB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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0.631n/an/an/an/an/an/an/an/a



FAES, S.A.

Curated by ChEMBL


Assay Description
In vitro by displacement of [3H]raclopride from Dopamine receptor D2 on rat striatal membrane


J Med Chem 40: 586-93 (1997)


Article DOI: 10.1021/jm960442e
BindingDB Entry DOI: 10.7270/Q2P271TB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)
BDBM50103072
PNG
(1-Benzyl-2-piperazin-1-yl-1H-benzoimidazole | CHEM...)
Show SMILES C(c1ccccc1)n1c(nc2ccccc12)N1CCNCC1
Show InChI InChI=1S/C18H20N4/c1-2-6-15(7-3-1)14-22-17-9-5-4-8-16(17)20-18(22)21-12-10-19-11-13-21/h1-9,19H,10-14H2
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0.631n/an/an/an/an/an/an/an/a



FAES, S.A.

Curated by ChEMBL


Assay Description
In vitro by displacement of [3H]LY-278584 from 5-hydroxytryptamine 3 receptor on rat entorhinal cortex


J Med Chem 40: 586-93 (1997)


Article DOI: 10.1021/jm960442e
BindingDB Entry DOI: 10.7270/Q2P271TB
More data for this
Ligand-Target Pair
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))
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))
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))
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
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)
BDBM50471500
PNG
(CHEMBL59689)
Show SMILES Oc1ccc2nc(N3CCNCC3)n(Cc3ccccc3)c2c1
Show InChI InChI=1S/C18H20N4O/c23-15-6-7-16-17(12-15)22(13-14-4-2-1-3-5-14)18(20-16)21-10-8-19-9-11-21/h1-7,12,19,23H,8-11,13H2
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1n/an/an/an/an/an/an/an/a



FAES, S.A.

Curated by ChEMBL


Assay Description
In vitro by displacement of [3H]LY-278584 from 5-hydroxytryptamine 3 receptor on rat entorhinal cortex


J Med Chem 40: 586-93 (1997)


Article DOI: 10.1021/jm960442e
BindingDB Entry DOI: 10.7270/Q2P271TB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM85778
PNG
(CAS_135938-17-9 | SB203186)
Show SMILES O=C(OCCN1CCCCC1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C16H20N2O2/c19-16(20-11-10-18-8-4-1-5-9-18)14-12-17-15-7-3-2-6-13(14)15/h2-3,6-7,12,17H,1,4-5,8-11H2
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1n/an/an/an/an/an/an/an/a



FAES, S.A.

Curated by ChEMBL


Assay Description
In vitro by displacement of [3H]GR-113808 from 5-hydroxytryptamine 4 receptor on guinea pig striatal membrane


J Med Chem 40: 586-93 (1997)


Article DOI: 10.1021/jm960442e
BindingDB Entry DOI: 10.7270/Q2P271TB
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
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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1.30n/an/an/an/an/an/an/an/a



FAES, S.A.

Curated by ChEMBL


Assay Description
In vitro by displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor on rat cortical membrane


J Med Chem 40: 586-93 (1997)


Article DOI: 10.1021/jm960442e
BindingDB Entry DOI: 10.7270/Q2P271TB
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
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)
BDBM50471504
PNG
(CHEMBL294522)
Show SMILES Cc1ccc2n(Cc3ccccc3)c(nc2c1)N1CCNCC1
Show InChI InChI=1S/C19H22N4/c1-15-7-8-18-17(13-15)21-19(22-11-9-20-10-12-22)23(18)14-16-5-3-2-4-6-16/h2-8,13,20H,9-12,14H2,1H3
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1.60n/an/an/an/an/an/an/an/a



FAES, S.A.

Curated by ChEMBL


Assay Description
In vitro by displacement of [3H]LY-278584 from 5-hydroxytryptamine 3 receptor on rat entorhinal cortex


J Med Chem 40: 586-93 (1997)


Article DOI: 10.1021/jm960442e
BindingDB Entry DOI: 10.7270/Q2P271TB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)
BDBM50471503
PNG
(CHEMBL60102)
Show SMILES C1CC1n1c(nc2ccccc12)N1CCNCC1
Show InChI InChI=1S/C14H18N4/c1-2-4-13-12(3-1)16-14(18(13)11-5-6-11)17-9-7-15-8-10-17/h1-4,11,15H,5-10H2
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1.60n/an/an/an/an/an/an/an/a



FAES, S.A.

Curated by ChEMBL


Assay Description
In vitro by displacement of [3H]LY-278584 from 5-hydroxytryptamine 3 receptor on rat entorhinal cortex


J Med Chem 40: 586-93 (1997)


Article DOI: 10.1021/jm960442e
BindingDB Entry DOI: 10.7270/Q2P271TB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)
BDBM50108392
PNG
((3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-I...)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12 |r,THB:9:7:4.3:1|
Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+
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1.60n/an/an/an/an/an/an/an/a



FAES, S.A.

Curated by ChEMBL


Assay Description
In vitro by displacement of [3H]LY-278584 from 5-hydroxytryptamine 3 receptor on rat entorhinal cortex


J Med Chem 40: 586-93 (1997)


Article DOI: 10.1021/jm960442e
BindingDB Entry DOI: 10.7270/Q2P271TB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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))
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
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)
BDBM50000483
PNG
((BRL 43694)1-Methyl-1H-indazole-3-carboxylic acid ...)
Show SMILES CN1C2CCCC1CC(C2)NC(=O)c1nn(C)c2ccccc12 |THB:10:8:1:3.5.4|
Show InChI InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)
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2n/an/an/an/an/an/an/an/a



FAES, S.A.

Curated by ChEMBL


Assay Description
In vitro by displacement of [3H]LY-278584 from 5-hydroxytryptamine 3 receptor on rat entorhinal cortex


J Med Chem 40: 586-93 (1997)


Article DOI: 10.1021/jm960442e
BindingDB Entry DOI: 10.7270/Q2P271TB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)
BDBM50459424
PNG
(CHEMBL64880)
Show SMILES Cc1cc2nc(N3CCNCC3)n(Cc3ccccc3)c2cc1C
Show InChI InChI=1S/C20H24N4/c1-15-12-18-19(13-16(15)2)24(14-17-6-4-3-5-7-17)20(22-18)23-10-8-21-9-11-23/h3-7,12-13,21H,8-11,14H2,1-2H3
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2n/an/an/an/an/an/an/an/a



FAES, S.A.

Curated by ChEMBL


Assay Description
In vitro by displacement of [3H]LY-278584 from 5-hydroxytryptamine 3 receptor on rat entorhinal cortex


J Med Chem 40: 586-93 (1997)


Article DOI: 10.1021/jm960442e
BindingDB Entry DOI: 10.7270/Q2P271TB
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
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)
BDBM50471509
PNG
(CHEMBL64489)
Show SMILES Clc1cc2nc(N3CCNCC3)n(Cc3ccccc3)c2cc1Cl
Show InChI InChI=1S/C18H18Cl2N4/c19-14-10-16-17(11-15(14)20)24(12-13-4-2-1-3-5-13)18(22-16)23-8-6-21-7-9-23/h1-5,10-11,21H,6-9,12H2
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3.20n/an/an/an/an/an/an/an/a



FAES, S.A.

Curated by ChEMBL


Assay Description
In vitro by displacement of [3H]LY-278584 from 5-hydroxytryptamine 3 receptor on rat entorhinal cortex


J Med Chem 40: 586-93 (1997)


Article DOI: 10.1021/jm960442e
BindingDB Entry DOI: 10.7270/Q2P271TB
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
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)
BDBM50471505
PNG
(CHEMBL64801)
Show SMILES COc1ccc2nc(N3CCNCC3)n(Cc3ccccc3)c2c1
Show InChI InChI=1S/C19H22N4O/c1-24-16-7-8-17-18(13-16)23(14-15-5-3-2-4-6-15)19(21-17)22-11-9-20-10-12-22/h2-8,13,20H,9-12,14H2,1H3
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4n/an/an/an/an/an/an/an/a



FAES, S.A.

Curated by ChEMBL


Assay Description
In vitro by displacement of [3H]LY-278584 from 5-hydroxytryptamine 3 receptor on rat entorhinal cortex


J Med Chem 40: 586-93 (1997)


Article DOI: 10.1021/jm960442e
BindingDB Entry DOI: 10.7270/Q2P271TB
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))
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
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