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Compile Data Set for Download or QSAR

Found 190 hits with Last Name = 'malawska' and Initial = 'k'   
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- and chloride-dependent GABA transporter 1


(Rattus norvegicus)
BDBM50563999
PNG
(CHEMBL4595698)
Show SMILES OC(=O)C1=CCCN(CCO\N=C\c2ccccc2-c2ccc(Cl)cc2Cl)C1 |t:3|
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5.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]NO711 from mouse GAT1 expressed in HEK293 cells measured after 40 mins of incubation by LC-ESI-MS-MS method


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)
BDBM50021360
PNG
(CHEMBL3289575)
Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)-[#6](-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccccc1Cl
Show InChI InChI=1S/C28H32ClN3O/c1-32(27(18-19-30)28(33)31-21-24-15-8-9-17-26(24)29)20-10-16-25(22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-9,11-17,27H,10,18-21,30H2,1H3,(H,31,33)
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1.10E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]NO711 from mouse GAT1 expressed in HEK293 cells measured after 40 mins of incubation by LC-ESI-MS-MS method


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)
BDBM50563994
PNG
(CHEMBL4780692)
Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccccc1Cl
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1.17E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]NO711 from mouse GAT1 expressed in HEK293 cells measured after 40 mins of incubation by LC-ESI-MS-MS method


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)
BDBM50563997
PNG
(CHEMBL4796172)
Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(-[#6])cc1
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1.82E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]NO711 from mouse GAT1 expressed in HEK293 cells measured after 40 mins of incubation by LC-ESI-MS-MS method


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)
BDBM50564007
PNG
(CHEMBL4795631)
Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccc(Cl)cc1 |r|
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1.86E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]NO711 from mouse GAT1 expressed in HEK293 cells measured after 40 mins of incubation by LC-ESI-MS-MS method


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)
BDBM50563995
PNG
(CHEMBL4785506)
Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(Cl)cc1
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2.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]NO711 from mouse GAT1 expressed in HEK293 cells measured after 40 mins of incubation by LC-ESI-MS-MS method


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)
BDBM50563996
PNG
(CHEMBL4798908)
Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(F)cc1
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2.19E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]NO711 from mouse GAT1 expressed in HEK293 cells measured after 40 mins of incubation by LC-ESI-MS-MS method


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)
BDBM50563993
PNG
(CHEMBL4792403)
Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccccc1
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2.45E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]NO711 from mouse GAT1 expressed in HEK293 cells measured after 40 mins of incubation by LC-ESI-MS-MS method


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)
BDBM50564008
PNG
(CHEMBL4780841)
Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c1sccc1-[#6])-c1sccc1-[#6])-[#6@H](-[#6]-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccccc1Cl |r|
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2.57E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]NO711 from mouse GAT1 expressed in HEK293 cells measured after 40 mins of incubation by LC-ESI-MS-MS method


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)
BDBM50564013
PNG
(CHEMBL4791795)
Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c1sccc1-[#6])-c1sccc1-[#6])-[#6@@H](-[#6]-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccccc1Cl |r|
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3.80E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]NO711 from mouse GAT1 expressed in HEK293 cells measured after 40 mins of incubation by LC-ESI-MS-MS method


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)
BDBM50564004
PNG
(CHEMBL4777433)
Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccc(-[#6])cc1
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3.89E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]NO711 from mouse GAT1 expressed in HEK293 cells measured after 40 mins of incubation by LC-ESI-MS-MS method


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)
BDBM50564003
PNG
(CHEMBL4787408)
Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccc(F)cc1
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5.13E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]NO711 from mouse GAT1 expressed in HEK293 cells measured after 40 mins of incubation by LC-ESI-MS-MS method


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)
BDBM50564014
PNG
(CHEMBL4779532)
Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccc(Cl)cc1 |r|
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8.71E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]NO711 from mouse GAT1 expressed in HEK293 cells measured after 40 mins of incubation by LC-ESI-MS-MS method


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)
BDBM50563999
PNG
(CHEMBL4595698)
Show SMILES OC(=O)C1=CCCN(CCO\N=C\c2ccccc2-c2ccc(Cl)cc2Cl)C1 |t:3|
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n/an/a 5.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse GAT1 expressed in HEK293 cell line assessed as inhibition of [3H]GABA uptake measured after 35 mins by liquid scintillation metho...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)
BDBM50426075
PNG
(CHEMBL473104)
Show SMILES [#8]-[#6](=O)-[#6]-1=[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]\[#7]=[#6](\c2ccccc2)-c2ccccc2)-[#6]-1 |t:3|
Show InChI InChI=1S/C21H22N2O3/c24-21(25)19-12-7-13-23(16-19)14-15-26-22-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-12H,7,13-16H2,(H,24,25)
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n/an/a 148n/an/an/an/an/an/a


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Assay Description
Inhibition of mouse GAT1 expressed in HEK293 cell line assessed as inhibition of [3H]GABA uptake measured after 35 mins by liquid scintillation metho...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3


(Mus musculus)
BDBM50039246
PNG
((S)-1-(2-(tris(4-methoxyphenyl)methoxy)ethyl)piper...)
Show SMILES COc1ccc(cc1)C(OCCN1CCC[C@@H](C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1 |r|
Show InChI InChI=1S/C30H35NO6/c1-34-26-12-6-23(7-13-26)30(24-8-14-27(35-2)15-9-24,25-10-16-28(36-3)17-11-25)37-20-19-31-18-4-5-22(21-31)29(32)33/h6-17,22H,4-5,18-21H2,1-3H3,(H,32,33)/t22-/m0/s1
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n/an/a 1.55E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse GAT4 expressed in HEK293 cell line assessed as inhibition of [3H]GABA uptake measured after 35 mins by liquid scintillation metho...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3


(Mus musculus)
BDBM50564011
PNG
(CHEMBL4779064)
Show SMILES COc1ccc(cc1)C(OCCN1CCC[C@H](C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1C |r|
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n/an/a 1.66E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse GTA4 receptor


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3


(Mus musculus)
BDBM50276022
PNG
(CHEMBL4126078)
Show SMILES COc1ccc(cc1)C(OCCN1CCC[C@@H](C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1C |r|
Show InChI InChI=1S/C31H37NO6/c1-22-20-28(37-4)15-16-29(22)31(24-7-11-26(35-2)12-8-24,25-9-13-27(36-3)14-10-25)38-19-18-32-17-5-6-23(21-32)30(33)34/h7-16,20,23H,5-6,17-19,21H2,1-4H3,(H,33,34)/t23-/m0/s1
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n/an/a 1.66E+3n/an/an/an/an/an/a


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Assay Description
Inhibition of mouse GAT4 expressed in HEK293 cell line assessed as inhibition of [3H]GABA uptake measured after 35 mins by liquid scintillation metho...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3


(Mus musculus)
BDBM50039248
PNG
((R)-1-{2-[Tris-(4-methoxy-phenyl)-methoxy]-ethyl}-...)
Show SMILES COc1ccc(cc1)C(OCCN1CCC[C@H](C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1
Show InChI InChI=1S/C30H35NO6/c1-34-26-12-6-23(7-13-26)30(24-8-14-27(35-2)15-9-24,25-10-16-28(36-3)17-11-25)37-20-19-31-18-4-5-22(21-31)29(32)33/h6-17,22H,4-5,18-21H2,1-3H3,(H,32,33)/t22-/m1/s1
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n/an/a 1.95E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse GTA4 receptor


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3


(Mus musculus)
BDBM50563998
PNG
(CHEMBL4781266)
Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](-[#6]-[#6]-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6]-c1ccccc1Cl
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n/an/a 2.46E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse GAT3 expressed in HEK293 cell line assessed as inhibition of [3H]GABA uptake measured after 35 mins by liquid scintillation metho...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3


(Mus musculus)
BDBM50563989
PNG
(CHEMBL4778208)
Show SMILES [#6]-[#6](-[#8])-[#6]-[#6](-[#7](-[#6])-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](=O)-[#7]-[#6]-c1ccccc1Cl
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n/an/a 3.63E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse GAT3 expressed in HEK293 cell line assessed as inhibition of [3H]GABA uptake measured after 35 mins by liquid scintillation metho...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3


(Mus musculus)
BDBM50563994
PNG
(CHEMBL4780692)
Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccccc1Cl
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n/an/a 3.63E+3n/an/an/an/an/an/a


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Assay Description
Inhibition of mouse GAT3 expressed in HEK293 cell line assessed as inhibition of [3H]GABA uptake measured after 35 mins by liquid scintillation metho...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3


(Mus musculus)
BDBM50563989
PNG
(CHEMBL4778208)
Show SMILES [#6]-[#6](-[#8])-[#6]-[#6](-[#7](-[#6])-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](=O)-[#7]-[#6]-c1ccccc1Cl
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n/an/a 3.63E+3n/an/an/an/an/an/a


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Assay Description
Inhibition of mouse GAT3 expressed in HEK293 cell line assessed as inhibition of [3H]GABA uptake measured after 35 mins by liquid scintillation metho...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3


(Mus musculus)
BDBM50563988
PNG
(CHEMBL4793917)
Show SMILES [#6]-[#6](-[#8])-[#6]-[#6](-[#7](-[#6])-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](=O)-[#7]-[#6]-c1ccccc1
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n/an/a 3.89E+3n/an/an/an/an/an/a


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Assay Description
Inhibition of mouse GAT4 expressed in HEK293 cell line assessed as inhibition of [3H]GABA uptake measured after 35 mins by liquid scintillation metho...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3


(Mus musculus)
BDBM50563988
PNG
(CHEMBL4793917)
Show SMILES [#6]-[#6](-[#8])-[#6]-[#6](-[#7](-[#6])-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](=O)-[#7]-[#6]-c1ccccc1
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Inhibition of mouse GAT4 expressed in HEK293 cell line assessed as inhibition of [3H]GABA uptake measured after 35 mins by liquid scintillation metho...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3


(Mus musculus)
BDBM50563978
PNG
(CHEMBL4798809)
Show SMILES NCC(O)C(O)=O
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Inhibition of mouse GAT3 expressed in HEK293 cell line assessed as inhibition of [3H]GABA uptake measured after 35 mins by liquid scintillation metho...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Mus musculus)
BDBM50563998
PNG
(CHEMBL4781266)
Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](-[#6]-[#6]-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6]-c1ccccc1Cl
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Inhibition of mouse GAT2 expressed in HEK293 cell line assessed as inhibition of [3H]GABA uptake measured after 35 mins by liquid scintillation metho...


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Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3


(Mus musculus)
BDBM50563980
PNG
(CHEMBL4794776)
Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](-[#6]-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccccc1Cl
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Inhibition of mouse GAT3 expressed in HEK293 cell line assessed as inhibition of [3H]GABA uptake measured after 35 mins by liquid scintillation metho...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3


(Mus musculus)
BDBM50563978
PNG
(CHEMBL4798809)
Show SMILES NCC(O)C(O)=O
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Inhibition of mouse GAT4 expressed in HEK293 cell line assessed as inhibition of [3H]GABA uptake measured after 35 mins by liquid scintillation metho...


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Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3


(Mus musculus)
BDBM50039246
PNG
((S)-1-(2-(tris(4-methoxyphenyl)methoxy)ethyl)piper...)
Show SMILES COc1ccc(cc1)C(OCCN1CCC[C@@H](C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1 |r|
Show InChI InChI=1S/C30H35NO6/c1-34-26-12-6-23(7-13-26)30(24-8-14-27(35-2)15-9-24,25-10-16-28(36-3)17-11-25)37-20-19-31-18-4-5-22(21-31)29(32)33/h6-17,22H,4-5,18-21H2,1-3H3,(H,32,33)/t22-/m0/s1
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Inhibition of mouse GAT3 expressed in HEK293 cell line assessed as inhibition of [3H]GABA uptake measured after 35 mins by liquid scintillation metho...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Mus musculus)
BDBM50039248
PNG
((R)-1-{2-[Tris-(4-methoxy-phenyl)-methoxy]-ethyl}-...)
Show SMILES COc1ccc(cc1)C(OCCN1CCC[C@H](C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1
Show InChI InChI=1S/C30H35NO6/c1-34-26-12-6-23(7-13-26)30(24-8-14-27(35-2)15-9-24,25-10-16-28(36-3)17-11-25)37-20-19-31-18-4-5-22(21-31)29(32)33/h6-17,22H,4-5,18-21H2,1-3H3,(H,32,33)/t22-/m1/s1
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Inhibition of mouse GTA 3 receptor


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Mus musculus)
BDBM50021360
PNG
(CHEMBL3289575)
Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)-[#6](-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccccc1Cl
Show InChI InChI=1S/C28H32ClN3O/c1-32(27(18-19-30)28(33)31-21-24-15-8-9-17-26(24)29)20-10-16-25(22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-9,11-17,27H,10,18-21,30H2,1H3,(H,31,33)
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Inhibition of mouse GTA 3 receptor


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3


(Mus musculus)
BDBM50563992
PNG
(CHEMBL4788344)
Show SMILES [#6]-[#6](-[#8])-[#6]-[#6](-[#7](-[#6])-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](=O)-[#7]-[#6]-c1ccc(-[#6])cc1
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Inhibition of mouse GAT4 expressed in HEK293 cell line assessed as inhibition of [3H]GABA uptake measured after 35 mins by liquid scintillation metho...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Mus musculus)
BDBM50563993
PNG
(CHEMBL4792403)
Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccccc1
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Inhibition of mouse GAT2 expressed in HEK293 cell line assessed as inhibition of [3H]GABA uptake measured after 35 mins by liquid scintillation metho...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3


(Mus musculus)
BDBM50563992
PNG
(CHEMBL4788344)
Show SMILES [#6]-[#6](-[#8])-[#6]-[#6](-[#7](-[#6])-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](=O)-[#7]-[#6]-c1ccc(-[#6])cc1
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Inhibition of mouse GAT4 expressed in HEK293 cell line assessed as inhibition of [3H]GABA uptake measured after 35 mins by liquid scintillation metho...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3


(Mus musculus)
BDBM50563994
PNG
(CHEMBL4780692)
Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccccc1Cl
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Inhibition of mouse GAT4 expressed in HEK293 cell line assessed as inhibition of [3H]GABA uptake measured after 35 mins by liquid scintillation metho...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Mus musculus)
BDBM50563982
PNG
(CHEMBL4791625)
Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](-[#6]-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccc(F)cc1
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Inhibition of mouse GAT2 expressed in HEK293 cell line assessed as inhibition of [3H]GABA uptake measured after 35 mins by liquid scintillation metho...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3


(Mus musculus)
BDBM50563992
PNG
(CHEMBL4788344)
Show SMILES [#6]-[#6](-[#8])-[#6]-[#6](-[#7](-[#6])-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](=O)-[#7]-[#6]-c1ccc(-[#6])cc1
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Inhibition of mouse GAT3 expressed in HEK293 cell line assessed as inhibition of [3H]GABA uptake measured after 35 mins by liquid scintillation metho...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3


(Mus musculus)
BDBM50563980
PNG
(CHEMBL4794776)
Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](-[#6]-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccccc1Cl
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Inhibition of mouse GAT4 expressed in HEK293 cell line assessed as inhibition of [3H]GABA uptake measured after 35 mins by liquid scintillation metho...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3


(Mus musculus)
BDBM50563992
PNG
(CHEMBL4788344)
Show SMILES [#6]-[#6](-[#8])-[#6]-[#6](-[#7](-[#6])-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](=O)-[#7]-[#6]-c1ccc(-[#6])cc1
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Inhibition of mouse GAT3 expressed in HEK293 cell line assessed as inhibition of [3H]GABA uptake measured after 35 mins by liquid scintillation metho...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3


(Mus musculus)
BDBM50563988
PNG
(CHEMBL4793917)
Show SMILES [#6]-[#6](-[#8])-[#6]-[#6](-[#7](-[#6])-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](=O)-[#7]-[#6]-c1ccccc1
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Inhibition of mouse GAT3 expressed in HEK293 cell line assessed as inhibition of [3H]GABA uptake measured after 35 mins by liquid scintillation metho...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3


(Mus musculus)
BDBM50563988
PNG
(CHEMBL4793917)
Show SMILES [#6]-[#6](-[#8])-[#6]-[#6](-[#7](-[#6])-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](=O)-[#7]-[#6]-c1ccccc1
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Inhibition of mouse GAT3 expressed in HEK293 cell line assessed as inhibition of [3H]GABA uptake measured after 35 mins by liquid scintillation metho...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3


(Mus musculus)
BDBM50563998
PNG
(CHEMBL4781266)
Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](-[#6]-[#6]-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6]-c1ccccc1Cl
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n/an/a 6.17E+3n/an/an/an/an/an/a


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Inhibition of mouse GAT4 expressed in HEK293 cell line assessed as inhibition of [3H]GABA uptake measured after 35 mins by liquid scintillation metho...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3


(Mus musculus)
BDBM50518210
PNG
(CHEMBL4566905)
Show SMILES O=C1Nc2ccc(cc2C1=O)-c1cccs1
Show InChI InChI=1S/C12H7NO2S/c14-11-8-6-7(10-2-1-5-16-10)3-4-9(8)13-12(11)15/h1-6H,(H,13,14,15)
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Inhibition of mouse GTA4 receptor


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3


(Mus musculus)
BDBM50563984
PNG
(CHEMBL4793317)
Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](-[#6]-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccc(F)cc1F
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Inhibition of mouse GAT3 expressed in HEK293 cell line assessed as inhibition of [3H]GABA uptake measured after 35 mins by liquid scintillation metho...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3


(Mus musculus)
BDBM50563993
PNG
(CHEMBL4792403)
Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccccc1
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Inhibition of mouse GAT3 expressed in HEK293 cell line assessed as inhibition of [3H]GABA uptake measured after 35 mins by liquid scintillation metho...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Mus musculus)
BDBM50021360
PNG
(CHEMBL3289575)
Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)-[#6](-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccccc1Cl
Show InChI InChI=1S/C28H32ClN3O/c1-32(27(18-19-30)28(33)31-21-24-15-8-9-17-26(24)29)20-10-16-25(22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-9,11-17,27H,10,18-21,30H2,1H3,(H,31,33)
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Inhibition of mouse GTA 2 receptor


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3


(Mus musculus)
BDBM50563993
PNG
(CHEMBL4792403)
Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccccc1
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Inhibition of mouse GAT4 expressed in HEK293 cell line assessed as inhibition of [3H]GABA uptake measured after 35 mins by liquid scintillation metho...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3


(Mus musculus)
BDBM50563983
PNG
(CHEMBL4786927)
Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](-[#6]-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccc(-[#6])cc1
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Inhibition of mouse GAT3 expressed in HEK293 cell line assessed as inhibition of [3H]GABA uptake measured after 35 mins by liquid scintillation metho...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3


(Mus musculus)
BDBM50563996
PNG
(CHEMBL4798908)
Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(F)cc1
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TBA

Assay Description
Inhibition of mouse GAT3 expressed in HEK293 cell line assessed as inhibition of [3H]GABA uptake measured after 35 mins by liquid scintillation metho...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
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