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Compile Data Set for Download or QSAR

Found 448 hits of ic50 for UniProtKB: P31649   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium- and chloride-dependent GABA transporter 2


(Mus musculus)
BDBM50320523
PNG
(1-(3-(9H-carbazol-9-yl)propyl)-4-(4-methoxyphenyl)...)
Show SMILES COc1ccc(cc1)C1(O)CCN(CCCn2c3ccccc3c3ccccc23)CC1
Show InChI InChI=1S/C27H30N2O2/c1-31-22-13-11-21(12-14-22)27(30)15-19-28(20-16-27)17-6-18-29-25-9-4-2-7-23(25)24-8-3-5-10-26(24)29/h2-5,7-14,30H,6,15-20H2,1H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Ludwig-Maximilians-University Munich

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT2-mediated [3H]GABA uptake expressed in human HEK cells


Eur J Med Chem 46: 1483-98 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.042
BindingDB Entry DOI: 10.7270/Q2F76CWJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Mus musculus)
BDBM50419338
PNG
(CHEMBL1446457)
Show SMILES COc1ccccc1C1(O)CCN(CCCn2c3ccccc3c3ccccc23)CC1
Show InChI InChI=1S/C27H30N2O2/c1-31-26-14-7-4-11-23(26)27(30)15-19-28(20-16-27)17-8-18-29-24-12-5-2-9-21(24)22-10-3-6-13-25(22)29/h2-7,9-14,30H,8,15-20H2,1H3
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n/an/a 1.41E+3n/an/an/an/an/an/a



Ludwig-Maximilians-University Munich

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT2-mediated [3H]GABA uptake expressed in BHK cells


Bioorg Med Chem 19: 6492-504 (2011)


Article DOI: 10.1016/j.bmc.2011.08.039
BindingDB Entry DOI: 10.7270/Q2154JB8
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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n/an/a 4.47E+3n/an/an/an/an/an/a


TBA

Assay Description
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 2


(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 5.13E+3n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT3 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake


Eur J Med Chem 83: 256-73 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.024
BindingDB Entry DOI: 10.7270/Q21N82P9
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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n/an/a 5.13E+3n/an/an/an/an/an/a


TBA

Assay Description
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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n/an/a 5.13E+3n/an/an/an/an/an/a


TBA

Assay Description
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)
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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n/an/a 5.50E+3n/an/an/an/an/an/a


TBA

Assay Description
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 2


(Mus musculus)
BDBM50570574
PNG
(CHEMBL4866859)
Show SMILES O[C@@H](CNCc1ccccc1)[C@H](Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1 |r|
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n/an/a 5.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse GAT2 expressed in HEK293 cell line assessed as reduction in [3H]GABA uptake incubated for 10 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113397
BindingDB Entry DOI: 10.7270/Q29S1VTT
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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n/an/a 5.62E+3n/an/an/an/an/an/a


TBA

Assay Description
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 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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n/an/a 6.46E+3n/an/an/an/an/an/a


TBA

Assay Description
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 2


(Mus musculus)
BDBM24183
PNG
(4-amino-n-[2,3-3H]butyric acid | 4-aminobutanoic a...)
Show SMILES NCCCC(O)=O
Show InChI InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
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n/an/a 7.08E+3n/an/an/an/an/an/a


TBA

Assay Description
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)
BDBM50563981
PNG
(CHEMBL4784962)
Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](-[#6]-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccc(Cl)cc1
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n/an/a 7.24E+3n/an/an/an/an/an/a


TBA

Assay Description
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 2


(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 7.24E+3n/an/an/an/an/an/a


TBA

Assay Description
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 2


(Mus musculus)
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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n/an/a 7.76E+3n/an/an/an/an/an/a


TBA

Assay Description
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 2


(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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n/an/a 7.94E+3n/an/an/an/an/an/a


TBA

Assay Description
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 2


(Mus musculus)
BDBM50419338
PNG
(CHEMBL1446457)
Show SMILES COc1ccccc1C1(O)CCN(CCCn2c3ccccc3c3ccccc23)CC1
Show InChI InChI=1S/C27H30N2O2/c1-31-26-14-7-4-11-23(26)27(30)15-19-28(20-16-27)17-8-18-29-24-12-5-2-9-21(24)22-10-3-6-13-25(22)29/h2-7,9-14,30H,8,15-20H2,1H3
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n/an/a 8.13E+3n/an/an/an/an/an/a



Ludwig-Maximilians-University Munich

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT2-mediated [3H]GABA uptake expressed in human HEK cells


Bioorg Med Chem 19: 6492-504 (2011)


Article DOI: 10.1016/j.bmc.2011.08.039
BindingDB Entry DOI: 10.7270/Q2154JB8
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(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 8.91E+3n/an/an/an/an/an/a


TBA

Assay Description
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 2


(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 8.91E+3n/an/an/an/an/an/a


TBA

Assay Description
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 2


(Mus musculus)
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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n/an/a 9.33E+3n/an/an/an/an/an/a


TBA

Assay Description
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 2


(Mus musculus)
BDBM50021388
PNG
(CHEMBL3289586)
Show SMILES NCCC(N1CCC(CC1)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C29H34ClN3O/c30-26-13-11-22(12-14-26)21-32-29(34)27(15-18-31)33-19-16-25(17-20-33)28(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,25,27-28H,15-21,31H2,(H,32,34)
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n/an/a 9.55E+3n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT3 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake


Eur J Med Chem 83: 256-73 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.024
BindingDB Entry DOI: 10.7270/Q21N82P9
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Mus musculus)
BDBM50466786
PNG
(CHEMBL4284560)
Show SMILES OC(=O)C1CCCN(C\C=C\C(c2ccc3occc3c2)(c2ccc3occc3c2)c2ccc3occc3c2)C1
Show InChI InChI=1S/C34H29NO5/c36-33(37)26-3-1-14-35(22-26)15-2-13-34(27-4-7-30-23(19-27)10-16-38-30,28-5-8-31-24(20-28)11-17-39-31)29-6-9-32-25(21-29)12-18-40-32/h2,4-13,16-21,26H,1,3,14-15,22H2,(H,36,37)/b13-2+
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n/an/a 9.55E+3n/an/an/an/an/an/a



Ludwig-Maximilians-Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT2 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition an...


Bioorg Med Chem 26: 5944-5961 (2018)


Article DOI: 10.1016/j.bmc.2018.11.002
BindingDB Entry DOI: 10.7270/Q28K7CSG
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(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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n/an/a 9.77E+3n/an/an/an/an/an/a


TBA

Assay Description
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 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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n/an/a 1.00E+4n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT3 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake


Eur J Med Chem 83: 256-73 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.024
BindingDB Entry DOI: 10.7270/Q21N82P9
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(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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TBA

Assay Description
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 2


(Mus musculus)
BDBM50247181
PNG
(2,6-Difluoro-3-({2-[tris-(4-methoxyphenyl)methoxy]...)
Show SMILES COc1ccc(cc1)C(OCCNCc1ccc(F)c(O)c1F)(c1ccc(OC)cc1)c1ccc(OC)cc1
Show InChI InChI=1S/C31H31F2NO5/c1-36-25-11-5-22(6-12-25)31(23-7-13-26(37-2)14-8-23,24-9-15-27(38-3)16-10-24)39-19-18-34-20-21-4-17-28(32)30(35)29(21)33/h4-17,34-35H,18-20H2,1-3H3
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n/an/a 1.02E+4n/an/an/an/an/an/a



Ludwig-Maximilians-Universität München

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at mouse GAT3 expressed in HEK cells


Eur J Med Chem 43: 2404-11 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.005
BindingDB Entry DOI: 10.7270/Q2HM5888
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Mus musculus)
BDBM50419350
PNG
(CHEMBL1917042)
Show SMILES [#6]C([#6])([#6])[#6]C([#6])([#6])n1nnnc1-[#6]-[#7]-[#6]\[#6]=[#6](\c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C25H33N5/c1-24(2,3)19-25(4,5)30-23(27-28-29-30)18-26-17-16-22(20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-16,26H,17-19H2,1-5H3
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n/an/a 1.02E+4n/an/an/an/an/an/a



Ludwig-Maximilians-University Munich

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT2-mediated [3H]GABA uptake expressed in human HEK cells


Bioorg Med Chem 19: 6492-504 (2011)


Article DOI: 10.1016/j.bmc.2011.08.039
BindingDB Entry DOI: 10.7270/Q2154JB8
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Mus musculus)
BDBM50563990
PNG
(CHEMBL4787828)
Show SMILES [#6]-[#6](-[#8])-[#6]-[#6](-[#7](-[#6])-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](=O)-[#7]-[#6]-c1ccc(Cl)cc1
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n/an/a 1.04E+4n/an/an/an/an/an/a


TBA

Assay Description
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 2


(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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TBA

Assay Description
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 2


(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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n/an/a 1.05E+4n/an/an/an/an/an/a


TBA

Assay Description
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 2


(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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TBA

Assay Description
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 2


(Mus musculus)
BDBM50563990
PNG
(CHEMBL4787828)
Show SMILES [#6]-[#6](-[#8])-[#6]-[#6](-[#7](-[#6])-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](=O)-[#7]-[#6]-c1ccc(Cl)cc1
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TBA

Assay Description
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 2


(Mus musculus)
BDBM50021367
PNG
(CHEMBL3289291)
Show SMILES NCCC(N1CCN(CC1)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C28H33ClN4O/c29-25-14-8-7-13-24(25)21-31-28(34)26(15-16-30)32-17-19-33(20-18-32)27(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-14,26-27H,15-21,30H2,(H,31,34)
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n/an/a 1.05E+4n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT3 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake


Eur J Med Chem 83: 256-73 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.024
BindingDB Entry DOI: 10.7270/Q21N82P9
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Mus musculus)
BDBM50021368
PNG
(CHEMBL3289292)
Show SMILES NCCC(N1CCN(CC1)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C28H33ClN4O/c29-25-13-11-22(12-14-25)21-31-28(34)26(15-16-30)32-17-19-33(20-18-32)27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,26-27H,15-21,30H2,(H,31,34)
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n/an/a 1.07E+4n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT3 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake


Eur J Med Chem 83: 256-73 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.024
BindingDB Entry DOI: 10.7270/Q21N82P9
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Mus musculus)
BDBM50492889
PNG
(CHEMBL2414187)
Show SMILES OCCC(NCCCC(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C27H31ClN2O2/c28-24-15-13-21(14-16-24)20-30-27(32)26(17-19-31)29-18-7-12-25(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-6,8-11,13-16,25-26,29,31H,7,12,17-20H2,(H,30,32)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT2-mediated [3H]GABA uptake stably transfected in HEK293 cells


Bioorg Med Chem 21: 5154-67 (2013)


Article DOI: 10.1016/j.bmc.2013.06.038
BindingDB Entry DOI: 10.7270/Q208688J
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Mus musculus)
BDBM50021362
PNG
(CHEMBL3289577)
Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)-[#6](-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(F)cc1
Show InChI InChI=1S/C28H32FN3O/c1-32(27(18-19-30)28(33)31-21-22-14-16-25(29)17-15-22)20-8-13-26(23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-7,9-17,27H,8,18-21,30H2,1H3,(H,31,33)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT3 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake


Eur J Med Chem 83: 256-73 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.024
BindingDB Entry DOI: 10.7270/Q21N82P9
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Mus musculus)
BDBM50021387
PNG
(CHEMBL3289585)
Show SMILES NCCC(N1CCC(CC1)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C29H34ClN3O/c30-26-14-8-7-13-25(26)21-32-29(34)27(15-18-31)33-19-16-24(17-20-33)28(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-14,24,27-28H,15-21,31H2,(H,32,34)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT3 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake


Eur J Med Chem 83: 256-73 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.024
BindingDB Entry DOI: 10.7270/Q21N82P9
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Mus musculus)
BDBM50021361
PNG
(CHEMBL3289576)
Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)-[#6](-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H32ClN3O/c1-32(27(18-19-30)28(33)31-21-22-14-16-25(29)17-15-22)20-8-13-26(23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-7,9-17,27H,8,18-21,30H2,1H3,(H,31,33)
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n/an/a 1.12E+4n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT3 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake


Eur J Med Chem 83: 256-73 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.024
BindingDB Entry DOI: 10.7270/Q21N82P9
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Mus musculus)
BDBM50276014
PNG
(CHEMBL4125831)
Show SMILES COc1ccc(cc1)C(C#CCN1CCCC(C1)C(O)=O)(c1ccc(OC)cc1)c1ccc2sccc2c1
Show InChI InChI=1S/C32H31NO4S/c1-36-28-11-6-25(7-12-28)32(26-8-13-29(37-2)14-9-26,27-10-15-30-23(21-27)16-20-38-30)17-4-19-33-18-3-5-24(22-33)31(34)35/h6-16,20-21,24H,3,5,18-19,22H2,1-2H3,(H,34,35)
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n/an/a 1.17E+4n/an/an/an/an/an/a



Ludwig-Maximilians-Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT2 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition mea...


Bioorg Med Chem 26: 3668-3687 (2018)


Article DOI: 10.1016/j.bmc.2018.05.049
BindingDB Entry DOI: 10.7270/Q20004MB
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Mus musculus)
BDBM50021363
PNG
(CHEMBL3289578)
Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)-[#6](-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(-[#6])cc1
Show InChI InChI=1S/C29H35N3O/c1-23-15-17-24(18-16-23)22-31-29(33)28(19-20-30)32(2)21-9-14-27(25-10-5-3-6-11-25)26-12-7-4-8-13-26/h3-8,10-18,28H,9,19-22,30H2,1-2H3,(H,31,33)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT3 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake


Eur J Med Chem 83: 256-73 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.024
BindingDB Entry DOI: 10.7270/Q21N82P9
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Mus musculus)
BDBM50021384
PNG
(CHEMBL3289582)
Show SMILES [#7]-[#6]-[#6]-[#6](-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](/c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(F)cc1
Show InChI InChI=1S/C29H32FN3O/c30-26-13-11-22(12-14-26)21-32-29(34)27(15-18-31)33-19-16-25(17-20-33)28(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,27H,15-21,31H2,(H,32,34)
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n/an/a 1.23E+4n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT3 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake


Eur J Med Chem 83: 256-73 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.024
BindingDB Entry DOI: 10.7270/Q21N82P9
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Mus musculus)
BDBM50492898
PNG
(CHEMBL2414176)
Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)-[#6](-[#6]-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccccc1Cl
Show InChI InChI=1S/C28H31ClN2O2/c1-31(27(18-20-32)28(33)30-21-24-15-8-9-17-26(24)29)19-10-16-25(22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-9,11-17,27,32H,10,18-21H2,1H3,(H,30,33)
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n/an/a 1.26E+4n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT2-mediated [3H]GABA uptake stably transfected in HEK293 cells


Bioorg Med Chem 21: 5154-67 (2013)


Article DOI: 10.1016/j.bmc.2013.06.038
BindingDB Entry DOI: 10.7270/Q208688J
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Mus musculus)
BDBM50021383
PNG
(CHEMBL3289581)
Show SMILES [#7]-[#6]-[#6]-[#6](-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](/c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H32ClN3O/c30-26-13-11-22(12-14-26)21-32-29(34)27(15-18-31)33-19-16-25(17-20-33)28(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,27H,15-21,31H2,(H,32,34)
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n/an/a 1.29E+4n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT3 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake


Eur J Med Chem 83: 256-73 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.024
BindingDB Entry DOI: 10.7270/Q21N82P9
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Mus musculus)
BDBM50492890
PNG
(CHEMBL2414177)
Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)-[#6](-[#6]-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H31ClN2O2/c1-31(27(18-20-32)28(33)30-21-22-14-16-25(29)17-15-22)19-8-13-26(23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-7,9-17,27,32H,8,18-21H2,1H3,(H,30,33)
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n/an/a 1.32E+4n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT2-mediated [3H]GABA uptake stably transfected in HEK293 cells


Bioorg Med Chem 21: 5154-67 (2013)


Article DOI: 10.1016/j.bmc.2013.06.038
BindingDB Entry DOI: 10.7270/Q208688J
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Mus musculus)
BDBM50563986
PNG
(CHEMBL4778862)
Show SMILES [#6]-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#8])-[#7](-[#6])-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-c1ccccc1
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n/an/a 1.32E+4n/an/an/an/an/an/a


TBA

Assay Description
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 2


(Mus musculus)
BDBM50564005
PNG
(CHEMBL4791461)
Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccc(cc1)C(F)(F)F
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n/an/a 1.32E+4n/an/an/an/an/an/a


TBA

Assay Description
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 2


(Mus musculus)
BDBM50021364
PNG
(CHEMBL3289579)
Show SMILES [#7]-[#6]-[#6]-[#6](-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](/c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccccc1
Show InChI InChI=1S/C29H33N3O/c30-19-16-27(29(33)31-22-23-10-4-1-5-11-23)32-20-17-26(18-21-32)28(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,27H,16-22,30H2,(H,31,33)
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Article
PubMed
n/an/a 1.38E+4n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT3 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake


Eur J Med Chem 83: 256-73 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.024
BindingDB Entry DOI: 10.7270/Q21N82P9
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Mus musculus)
BDBM50466792
PNG
(CHEMBL4285653)
Show SMILES Cc1ccc(cc1)C(\C=C\CN1CCCC(C1)C(O)=O)(c1ccc(C)cc1)c1ccc(C)cc1
Show InChI InChI=1S/C31H35NO2/c1-23-7-13-27(14-8-23)31(28-15-9-24(2)10-16-28,29-17-11-25(3)12-18-29)19-5-21-32-20-4-6-26(22-32)30(33)34/h5,7-19,26H,4,6,20-22H2,1-3H3,(H,33,34)/b19-5+
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n/an/a 1.41E+4n/an/an/an/an/an/a



Ludwig-Maximilians-Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT2 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition an...


Bioorg Med Chem 26: 5944-5961 (2018)


Article DOI: 10.1016/j.bmc.2018.11.002
BindingDB Entry DOI: 10.7270/Q28K7CSG
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(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 1.41E+4n/an/an/an/an/an/a


TBA

Assay Description
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)
BDBM50570583
PNG
(CHEMBL4862200)
Show SMILES CC(C)(C)CNC[C@@H](O)[C@H](Cc1ccccc1)NCC(c1ccccc1)c1ccccc1 |r|
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n/an/a 1.41E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse GAT2 expressed in HEK293 cell line assessed as reduction in [3H]GABA uptake incubated for 10 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113397
BindingDB Entry DOI: 10.7270/Q29S1VTT
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Mus musculus)
BDBM50492897
PNG
(CHEMBL2414179)
Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)-[#6](-[#6]-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccc(-[#6])cc1
Show InChI InChI=1S/C29H34N2O2/c1-23-15-17-24(18-16-23)22-30-29(33)28(19-21-32)31(2)20-9-14-27(25-10-5-3-6-11-25)26-12-7-4-8-13-26/h3-8,10-18,28,32H,9,19-22H2,1-2H3,(H,30,33)
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n/an/a 1.45E+4n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT2-mediated [3H]GABA uptake stably transfected in HEK293 cells


Bioorg Med Chem 21: 5154-67 (2013)


Article DOI: 10.1016/j.bmc.2013.06.038
BindingDB Entry DOI: 10.7270/Q208688J
More data for this
Ligand-Target Pair
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