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Compile Data Set for Download or QSAR

Found 112 hits with Last Name = 'jørgensen' and Initial = 'l'   
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 betaine transporter


(Mus musculus)
BDBM50039251
PNG
((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...)
Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6] |r|
Show InChI InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1
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n/an/a 180n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at GAT2 in mouse astrocytes after 3 mins by scintillation counting analysis


J Med Chem 56: 2160-4 (2013)


Article DOI: 10.1021/jm301872x
BindingDB Entry DOI: 10.7270/Q2G73G26
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Mus musculus)
BDBM50039251
PNG
((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...)
Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6] |r|
Show InChI InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1
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n/an/a 360n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at GAT2 in mouse neurons after 3 mins by scintillation counting analysis


J Med Chem 56: 2160-4 (2013)


Article DOI: 10.1021/jm301872x
BindingDB Entry DOI: 10.7270/Q2G73G26
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Mus musculus)
BDBM50039251
PNG
((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...)
Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6] |r|
Show InChI InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1
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n/an/a 800n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at mouse GAT1 expressed in HEK293 cells after 3 mins by scintillation counting analysis


J Med Chem 56: 2160-4 (2013)


Article DOI: 10.1021/jm301872x
BindingDB Entry DOI: 10.7270/Q2G73G26
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium- and chloride-dependent betaine transporter


(Mus musculus)
BDBM50343258
PNG
(4-((4,4-bis(3-methylthiophen-2-yl)but-3-enyl)(meth...)
Show SMILES CN(CCC=C(c1sccc1C)c1sccc1C)C1CCCc2o[nH]c(=O)c12 |(14.45,-29.58,;13.12,-28.81,;11.79,-29.58,;11.79,-31.12,;10.46,-31.89,;10.46,-33.43,;9.2,-34.32,;7.74,-33.83,;6.83,-35.07,;7.71,-36.32,;9.18,-35.86,;10.42,-36.78,;11.86,-34.07,;12.17,-35.57,;13.69,-35.75,;14.34,-34.35,;13.2,-33.31,;13.38,-31.78,;13.12,-27.27,;14.45,-26.5,;14.45,-24.97,;13.12,-24.2,;11.77,-24.97,;10.3,-24.49,;9.4,-25.74,;10.31,-26.99,;9.83,-28.46,;11.78,-26.51,)|
Show InChI InChI=1S/C22H26N2O2S2/c1-14-9-12-27-20(14)16(21-15(2)10-13-28-21)6-5-11-24(3)17-7-4-8-18-19(17)22(25)23-26-18/h6,9-10,12-13,17H,4-5,7-8,11H2,1-3H3,(H,23,25)
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at GAT2 in mouse astrocytes after 3 mins by scintillation counting analysis


J Med Chem 56: 2160-4 (2013)


Article DOI: 10.1021/jm301872x
BindingDB Entry DOI: 10.7270/Q2G73G26
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Mus musculus)
BDBM50343258
PNG
(4-((4,4-bis(3-methylthiophen-2-yl)but-3-enyl)(meth...)
Show SMILES CN(CCC=C(c1sccc1C)c1sccc1C)C1CCCc2o[nH]c(=O)c12 |(14.45,-29.58,;13.12,-28.81,;11.79,-29.58,;11.79,-31.12,;10.46,-31.89,;10.46,-33.43,;9.2,-34.32,;7.74,-33.83,;6.83,-35.07,;7.71,-36.32,;9.18,-35.86,;10.42,-36.78,;11.86,-34.07,;12.17,-35.57,;13.69,-35.75,;14.34,-34.35,;13.2,-33.31,;13.38,-31.78,;13.12,-27.27,;14.45,-26.5,;14.45,-24.97,;13.12,-24.2,;11.77,-24.97,;10.3,-24.49,;9.4,-25.74,;10.31,-26.99,;9.83,-28.46,;11.78,-26.51,)|
Show InChI InChI=1S/C22H26N2O2S2/c1-14-9-12-27-20(14)16(21-15(2)10-13-28-21)6-5-11-24(3)17-7-4-8-18-19(17)22(25)23-26-18/h6,9-10,12-13,17H,4-5,7-8,11H2,1-3H3,(H,23,25)
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at GAT2 in mouse neurons after 3 mins by scintillation counting analysis


J Med Chem 56: 2160-4 (2013)


Article DOI: 10.1021/jm301872x
BindingDB Entry DOI: 10.7270/Q2G73G26
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Mus musculus)
BDBM50343258
PNG
(4-((4,4-bis(3-methylthiophen-2-yl)but-3-enyl)(meth...)
Show SMILES CN(CCC=C(c1sccc1C)c1sccc1C)C1CCCc2o[nH]c(=O)c12 |(14.45,-29.58,;13.12,-28.81,;11.79,-29.58,;11.79,-31.12,;10.46,-31.89,;10.46,-33.43,;9.2,-34.32,;7.74,-33.83,;6.83,-35.07,;7.71,-36.32,;9.18,-35.86,;10.42,-36.78,;11.86,-34.07,;12.17,-35.57,;13.69,-35.75,;14.34,-34.35,;13.2,-33.31,;13.38,-31.78,;13.12,-27.27,;14.45,-26.5,;14.45,-24.97,;13.12,-24.2,;11.77,-24.97,;10.3,-24.49,;9.4,-25.74,;10.31,-26.99,;9.83,-28.46,;11.78,-26.51,)|
Show InChI InChI=1S/C22H26N2O2S2/c1-14-9-12-27-20(14)16(21-15(2)10-13-28-21)6-5-11-24(3)17-7-4-8-18-19(17)22(25)23-26-18/h6,9-10,12-13,17H,4-5,7-8,11H2,1-3H3,(H,23,25)
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n/an/a 7.00E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at mouse GAT1 expressed in HEK293 cells after 3 mins by scintillation counting analysis


J Med Chem 56: 2160-4 (2013)


Article DOI: 10.1021/jm301872x
BindingDB Entry DOI: 10.7270/Q2G73G26
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Mus musculus)
BDBM50343258
PNG
(4-((4,4-bis(3-methylthiophen-2-yl)but-3-enyl)(meth...)
Show SMILES CN(CCC=C(c1sccc1C)c1sccc1C)C1CCCc2o[nH]c(=O)c12 |(14.45,-29.58,;13.12,-28.81,;11.79,-29.58,;11.79,-31.12,;10.46,-31.89,;10.46,-33.43,;9.2,-34.32,;7.74,-33.83,;6.83,-35.07,;7.71,-36.32,;9.18,-35.86,;10.42,-36.78,;11.86,-34.07,;12.17,-35.57,;13.69,-35.75,;14.34,-34.35,;13.2,-33.31,;13.38,-31.78,;13.12,-27.27,;14.45,-26.5,;14.45,-24.97,;13.12,-24.2,;11.77,-24.97,;10.3,-24.49,;9.4,-25.74,;10.31,-26.99,;9.83,-28.46,;11.78,-26.51,)|
Show InChI InChI=1S/C22H26N2O2S2/c1-14-9-12-27-20(14)16(21-15(2)10-13-28-21)6-5-11-24(3)17-7-4-8-18-19(17)22(25)23-26-18/h6,9-10,12-13,17H,4-5,7-8,11H2,1-3H3,(H,23,25)
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n/an/a 2.60E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at mouse GAT2 expressed in HEK293 cells after 3 mins by scintillation counting analysis


J Med Chem 56: 2160-4 (2013)


Article DOI: 10.1021/jm301872x
BindingDB Entry DOI: 10.7270/Q2G73G26
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Mus musculus)
BDBM50427396
PNG
(CHEMBL149914)
Show SMILES CNC1CCCc2o[nH]c(=O)c12
Show InChI InChI=1S/C8H12N2O2/c1-9-5-3-2-4-6-7(5)8(11)10-12-6/h5,9H,2-4H2,1H3,(H,10,11)
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n/an/a 4.80E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at GAT2 in mouse astrocytes after 3 mins by scintillation counting analysis


J Med Chem 56: 2160-4 (2013)


Article DOI: 10.1021/jm301872x
BindingDB Entry DOI: 10.7270/Q2G73G26
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Mus musculus)
BDBM50427393
PNG
(CHEMBL2326028)
Show SMILES CNC1C2CC(C=C2)C1C(O)=O |c:6,THB:1:2:6.7:4,9:8:6.7:4|
Show InChI InChI=1S/C9H13NO2/c1-10-8-6-3-2-5(4-6)7(8)9(11)12/h2-3,5-8,10H,4H2,1H3,(H,11,12)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at GAT2 in mouse neurons after 3 mins by scintillation counting analysis


J Med Chem 56: 2160-4 (2013)


Article DOI: 10.1021/jm301872x
BindingDB Entry DOI: 10.7270/Q2G73G26
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Mus musculus)
BDBM50427393
PNG
(CHEMBL2326028)
Show SMILES CNC1C2CC(C=C2)C1C(O)=O |c:6,THB:1:2:6.7:4,9:8:6.7:4|
Show InChI InChI=1S/C9H13NO2/c1-10-8-6-3-2-5(4-6)7(8)9(11)12/h2-3,5-8,10H,4H2,1H3,(H,11,12)
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n/an/a>2.50E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at GAT2 in mouse astrocytes after 3 mins by scintillation counting analysis


J Med Chem 56: 2160-4 (2013)


Article DOI: 10.1021/jm301872x
BindingDB Entry DOI: 10.7270/Q2G73G26
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Mus musculus)
BDBM50427394
PNG
(CHEMBL2326027)
Show SMILES CN[C@H]1CCCC[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H15NO2/c1-9-7-5-3-2-4-6(7)8(10)11/h6-7,9H,2-5H2,1H3,(H,10,11)/t6-,7+/m1/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at GAT2 in mouse astrocytes after 3 mins by scintillation counting analysis


J Med Chem 56: 2160-4 (2013)


Article DOI: 10.1021/jm301872x
BindingDB Entry DOI: 10.7270/Q2G73G26
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Mus musculus)
BDBM50427395
PNG
(CHEMBL2326026)
Show SMILES CN[C@@H]1CCCC[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H15NO2/c1-9-7-5-3-2-4-6(7)8(10)11/h6-7,9H,2-5H2,1H3,(H,10,11)/t6-,7-/m1/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at GAT2 in mouse astrocytes after 3 mins by scintillation counting analysis


J Med Chem 56: 2160-4 (2013)


Article DOI: 10.1021/jm301872x
BindingDB Entry DOI: 10.7270/Q2G73G26
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3


(Mus musculus)
BDBM50427388
PNG
(CHEMBL2326024)
Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6]-1-[#6]-[#6]-[#6]=[#6]-1-[#6](-[#8])=O |c:23|
Show InChI InChI=1S/C21H25NO2S2/c1-14-9-12-25-19(14)17(20-15(2)10-13-26-20)7-5-11-22(3)18-8-4-6-16(18)21(23)24/h6-7,9-10,12-13,18H,4-5,8,11H2,1-3H3,(H,23,24)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at mouse GAT4 expressed in HEK293 cells after 3 mins by scintillation counting analysis


J Med Chem 56: 2160-4 (2013)


Article DOI: 10.1021/jm301872x
BindingDB Entry DOI: 10.7270/Q2G73G26
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3


(Mus musculus)
BDBM50343258
PNG
(4-((4,4-bis(3-methylthiophen-2-yl)but-3-enyl)(meth...)
Show SMILES CN(CCC=C(c1sccc1C)c1sccc1C)C1CCCc2o[nH]c(=O)c12 |(14.45,-29.58,;13.12,-28.81,;11.79,-29.58,;11.79,-31.12,;10.46,-31.89,;10.46,-33.43,;9.2,-34.32,;7.74,-33.83,;6.83,-35.07,;7.71,-36.32,;9.18,-35.86,;10.42,-36.78,;11.86,-34.07,;12.17,-35.57,;13.69,-35.75,;14.34,-34.35,;13.2,-33.31,;13.38,-31.78,;13.12,-27.27,;14.45,-26.5,;14.45,-24.97,;13.12,-24.2,;11.77,-24.97,;10.3,-24.49,;9.4,-25.74,;10.31,-26.99,;9.83,-28.46,;11.78,-26.51,)|
Show InChI InChI=1S/C22H26N2O2S2/c1-14-9-12-27-20(14)16(21-15(2)10-13-28-21)6-5-11-24(3)17-7-4-8-18-19(17)22(25)23-26-18/h6,9-10,12-13,17H,4-5,7-8,11H2,1-3H3,(H,23,25)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at mouse GAT4 expressed in HEK293 cells after 3 mins by scintillation counting analysis


J Med Chem 56: 2160-4 (2013)


Article DOI: 10.1021/jm301872x
BindingDB Entry DOI: 10.7270/Q2G73G26
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Mus musculus)
BDBM50039251
PNG
((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...)
Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6] |r|
Show InChI InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at mouse GAT3 expressed in HEK293 cells after 3 mins by scintillation counting analysis


J Med Chem 56: 2160-4 (2013)


Article DOI: 10.1021/jm301872x
BindingDB Entry DOI: 10.7270/Q2G73G26
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3


(Mus musculus)
BDBM50427389
PNG
(CHEMBL2326023)
Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6]-1-[#6]-2-[#6]-[#6](-[#6]=[#6]-2)-[#6]-1-[#6](-[#8])=O |c:24,TLB:1:18:22.23:20,THB:25:24:22.23:20|
Show InChI InChI=1S/C23H27NO2S2/c1-14-8-11-27-21(14)18(22-15(2)9-12-28-22)5-4-10-24(3)20-17-7-6-16(13-17)19(20)23(25)26/h5-9,11-12,16-17,19-20H,4,10,13H2,1-3H3,(H,25,26)
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n/an/a>3.00E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at mouse GAT4 expressed in HEK293 cells after 3 mins by scintillation counting analysis


J Med Chem 56: 2160-4 (2013)


Article DOI: 10.1021/jm301872x
BindingDB Entry DOI: 10.7270/Q2G73G26
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Mus musculus)
BDBM50427395
PNG
(CHEMBL2326026)
Show SMILES CN[C@@H]1CCCC[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H15NO2/c1-9-7-5-3-2-4-6(7)8(10)11/h6-7,9H,2-5H2,1H3,(H,10,11)/t6-,7-/m1/s1
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University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at GAT2 in mouse neurons after 3 mins by scintillation counting analysis


J Med Chem 56: 2160-4 (2013)


Article DOI: 10.1021/jm301872x
BindingDB Entry DOI: 10.7270/Q2G73G26
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Mus musculus)
BDBM50427394
PNG
(CHEMBL2326027)
Show SMILES CN[C@H]1CCCC[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H15NO2/c1-9-7-5-3-2-4-6(7)8(10)11/h6-7,9H,2-5H2,1H3,(H,10,11)/t6-,7+/m1/s1
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University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at GAT2 in mouse neurons after 3 mins by scintillation counting analysis


J Med Chem 56: 2160-4 (2013)


Article DOI: 10.1021/jm301872x
BindingDB Entry DOI: 10.7270/Q2G73G26
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3


(Mus musculus)
BDBM50427390
PNG
(CHEMBL2326022)
Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6@@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](-[#8])=O |r|
Show InChI InChI=1S/C22H29NO2S2/c1-15-10-13-26-20(15)18(21-16(2)11-14-27-21)8-6-12-23(3)19-9-5-4-7-17(19)22(24)25/h8,10-11,13-14,17,19H,4-7,9,12H2,1-3H3,(H,24,25)/t17-,19+/m0/s1
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University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at mouse GAT4 expressed in HEK293 cells after 3 mins by scintillation counting analysis


J Med Chem 56: 2160-4 (2013)


Article DOI: 10.1021/jm301872x
BindingDB Entry DOI: 10.7270/Q2G73G26
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3


(Mus musculus)
BDBM50427391
PNG
(CHEMBL2326030)
Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](-[#8])=O |r|
Show InChI InChI=1S/C22H29NO2S2/c1-15-10-13-26-20(15)18(21-16(2)11-14-27-21)8-6-12-23(3)19-9-5-4-7-17(19)22(24)25/h8,10-11,13-14,17,19H,4-7,9,12H2,1-3H3,(H,24,25)/t17-,19-/m0/s1
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University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at mouse GAT4 expressed in HEK293 cells after 3 mins by scintillation counting analysis


J Med Chem 56: 2160-4 (2013)


Article DOI: 10.1021/jm301872x
BindingDB Entry DOI: 10.7270/Q2G73G26
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Mus musculus)
BDBM50427387
PNG
(CHEMBL2326025)
Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6]-1-[#6]-[#6]-[#6]-[#6]=[#6]-1-[#6](-[#8])=O |c:24|
Show InChI InChI=1S/C22H27NO2S2/c1-15-10-13-26-20(15)18(21-16(2)11-14-27-21)8-6-12-23(3)19-9-5-4-7-17(19)22(24)25/h7-8,10-11,13-14,19H,4-6,9,12H2,1-3H3,(H,24,25)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at mouse GAT3 expressed in HEK293 cells after 3 mins by scintillation counting analysis


J Med Chem 56: 2160-4 (2013)


Article DOI: 10.1021/jm301872x
BindingDB Entry DOI: 10.7270/Q2G73G26
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Mus musculus)
BDBM50427388
PNG
(CHEMBL2326024)
Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6]-1-[#6]-[#6]-[#6]=[#6]-1-[#6](-[#8])=O |c:23|
Show InChI InChI=1S/C21H25NO2S2/c1-14-9-12-25-19(14)17(20-15(2)10-13-26-20)7-5-11-22(3)18-8-4-6-16(18)21(23)24/h6-7,9-10,12-13,18H,4-5,8,11H2,1-3H3,(H,23,24)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at mouse GAT3 expressed in HEK293 cells after 3 mins by scintillation counting analysis


J Med Chem 56: 2160-4 (2013)


Article DOI: 10.1021/jm301872x
BindingDB Entry DOI: 10.7270/Q2G73G26
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Mus musculus)
BDBM50427389
PNG
(CHEMBL2326023)
Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6]-1-[#6]-2-[#6]-[#6](-[#6]=[#6]-2)-[#6]-1-[#6](-[#8])=O |c:24,TLB:1:18:22.23:20,THB:25:24:22.23:20|
Show InChI InChI=1S/C23H27NO2S2/c1-14-8-11-27-21(14)18(22-15(2)9-12-28-22)5-4-10-24(3)20-17-7-6-16(13-17)19(20)23(25)26/h5-9,11-12,16-17,19-20H,4,10,13H2,1-3H3,(H,25,26)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at mouse GAT3 expressed in HEK293 cells after 3 mins by scintillation counting analysis


J Med Chem 56: 2160-4 (2013)


Article DOI: 10.1021/jm301872x
BindingDB Entry DOI: 10.7270/Q2G73G26
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Mus musculus)
BDBM50427391
PNG
(CHEMBL2326030)
Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](-[#8])=O |r|
Show InChI InChI=1S/C22H29NO2S2/c1-15-10-13-26-20(15)18(21-16(2)11-14-27-21)8-6-12-23(3)19-9-5-4-7-17(19)22(24)25/h8,10-11,13-14,17,19H,4-7,9,12H2,1-3H3,(H,24,25)/t17-,19-/m0/s1
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University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at mouse GAT3 expressed in HEK293 cells after 3 mins by scintillation counting analysis


J Med Chem 56: 2160-4 (2013)


Article DOI: 10.1021/jm301872x
BindingDB Entry DOI: 10.7270/Q2G73G26
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Mus musculus)
BDBM50343258
PNG
(4-((4,4-bis(3-methylthiophen-2-yl)but-3-enyl)(meth...)
Show SMILES CN(CCC=C(c1sccc1C)c1sccc1C)C1CCCc2o[nH]c(=O)c12 |(14.45,-29.58,;13.12,-28.81,;11.79,-29.58,;11.79,-31.12,;10.46,-31.89,;10.46,-33.43,;9.2,-34.32,;7.74,-33.83,;6.83,-35.07,;7.71,-36.32,;9.18,-35.86,;10.42,-36.78,;11.86,-34.07,;12.17,-35.57,;13.69,-35.75,;14.34,-34.35,;13.2,-33.31,;13.38,-31.78,;13.12,-27.27,;14.45,-26.5,;14.45,-24.97,;13.12,-24.2,;11.77,-24.97,;10.3,-24.49,;9.4,-25.74,;10.31,-26.99,;9.83,-28.46,;11.78,-26.51,)|
Show InChI InChI=1S/C22H26N2O2S2/c1-14-9-12-27-20(14)16(21-15(2)10-13-28-21)6-5-11-24(3)17-7-4-8-18-19(17)22(25)23-26-18/h6,9-10,12-13,17H,4-5,7-8,11H2,1-3H3,(H,23,25)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at mouse GAT3 expressed in HEK293 cells after 3 mins by scintillation counting analysis


J Med Chem 56: 2160-4 (2013)


Article DOI: 10.1021/jm301872x
BindingDB Entry DOI: 10.7270/Q2G73G26
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Mus musculus)
BDBM50039251
PNG
((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...)
Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6] |r|
Show InChI InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1
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University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at mouse GAT2 expressed in HEK293 cells after 3 mins by scintillation counting analysis


J Med Chem 56: 2160-4 (2013)


Article DOI: 10.1021/jm301872x
BindingDB Entry DOI: 10.7270/Q2G73G26
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Mus musculus)
BDBM50427390
PNG
(CHEMBL2326022)
Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6@@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](-[#8])=O |r|
Show InChI InChI=1S/C22H29NO2S2/c1-15-10-13-26-20(15)18(21-16(2)11-14-27-21)8-6-12-23(3)19-9-5-4-7-17(19)22(24)25/h8,10-11,13-14,17,19H,4-7,9,12H2,1-3H3,(H,24,25)/t17-,19+/m0/s1
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University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at mouse GAT1 expressed in HEK293 cells after 3 mins by scintillation counting analysis


J Med Chem 56: 2160-4 (2013)


Article DOI: 10.1021/jm301872x
BindingDB Entry DOI: 10.7270/Q2G73G26
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Mus musculus)
BDBM50427396
PNG
(CHEMBL149914)
Show SMILES CNC1CCCc2o[nH]c(=O)c12
Show InChI InChI=1S/C8H12N2O2/c1-9-5-3-2-4-6-7(5)8(11)10-12-6/h5,9H,2-4H2,1H3,(H,10,11)
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n/an/a 4.05E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at GAT2 in mouse neurons after 3 mins by scintillation counting analysis


J Med Chem 56: 2160-4 (2013)


Article DOI: 10.1021/jm301872x
BindingDB Entry DOI: 10.7270/Q2G73G26
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Mus musculus)
BDBM50427396
PNG
(CHEMBL149914)
Show SMILES CNC1CCCc2o[nH]c(=O)c12
Show InChI InChI=1S/C8H12N2O2/c1-9-5-3-2-4-6-7(5)8(11)10-12-6/h5,9H,2-4H2,1H3,(H,10,11)
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n/an/a 4.50E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at mouse GAT1 expressed in HEK293 cells after 3 mins by scintillation counting analysis


J Med Chem 56: 2160-4 (2013)


Article DOI: 10.1021/jm301872x
BindingDB Entry DOI: 10.7270/Q2G73G26
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Mus musculus)
BDBM50427393
PNG
(CHEMBL2326028)
Show SMILES CNC1C2CC(C=C2)C1C(O)=O |c:6,THB:1:2:6.7:4,9:8:6.7:4|
Show InChI InChI=1S/C9H13NO2/c1-10-8-6-3-2-5(4-6)7(8)9(11)12/h2-3,5-8,10H,4H2,1H3,(H,11,12)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at mouse GAT1 expressed in HEK293 cells after 3 mins by scintillation counting analysis


J Med Chem 56: 2160-4 (2013)


Article DOI: 10.1021/jm301872x
BindingDB Entry DOI: 10.7270/Q2G73G26
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3


(Mus musculus)
BDBM50427393
PNG
(CHEMBL2326028)
Show SMILES CNC1C2CC(C=C2)C1C(O)=O |c:6,THB:1:2:6.7:4,9:8:6.7:4|
Show InChI InChI=1S/C9H13NO2/c1-10-8-6-3-2-5(4-6)7(8)9(11)12/h2-3,5-8,10H,4H2,1H3,(H,11,12)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at mouse GAT4 expressed in HEK293 cells after 3 mins by scintillation counting analysis


J Med Chem 56: 2160-4 (2013)


Article DOI: 10.1021/jm301872x
BindingDB Entry DOI: 10.7270/Q2G73G26
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Mus musculus)
BDBM50427393
PNG
(CHEMBL2326028)
Show SMILES CNC1C2CC(C=C2)C1C(O)=O |c:6,THB:1:2:6.7:4,9:8:6.7:4|
Show InChI InChI=1S/C9H13NO2/c1-10-8-6-3-2-5(4-6)7(8)9(11)12/h2-3,5-8,10H,4H2,1H3,(H,11,12)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at mouse GAT3 expressed in HEK293 cells after 3 mins by scintillation counting analysis


J Med Chem 56: 2160-4 (2013)


Article DOI: 10.1021/jm301872x
BindingDB Entry DOI: 10.7270/Q2G73G26
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Mus musculus)
BDBM50427393
PNG
(CHEMBL2326028)
Show SMILES CNC1C2CC(C=C2)C1C(O)=O |c:6,THB:1:2:6.7:4,9:8:6.7:4|
Show InChI InChI=1S/C9H13NO2/c1-10-8-6-3-2-5(4-6)7(8)9(11)12/h2-3,5-8,10H,4H2,1H3,(H,11,12)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at mouse GAT2 expressed in HEK293 cells after 3 mins by scintillation counting analysis


J Med Chem 56: 2160-4 (2013)


Article DOI: 10.1021/jm301872x
BindingDB Entry DOI: 10.7270/Q2G73G26
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3


(Mus musculus)
BDBM50039251
PNG
((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...)
Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6] |r|
Show InChI InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1
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n/an/a 8.00E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at mouse GAT4 expressed in HEK293 cells after 3 mins by scintillation counting analysis


J Med Chem 56: 2160-4 (2013)


Article DOI: 10.1021/jm301872x
BindingDB Entry DOI: 10.7270/Q2G73G26
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Mus musculus)
BDBM50427392
PNG
(CHEMBL2326029)
Show SMILES CNC1CCCC=C1C(O)=O |c:6|
Show InChI InChI=1S/C8H13NO2/c1-9-7-5-3-2-4-6(7)8(10)11/h4,7,9H,2-3,5H2,1H3,(H,10,11)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at mouse GAT3 expressed in HEK293 cells after 3 mins by scintillation counting analysis


J Med Chem 56: 2160-4 (2013)


Article DOI: 10.1021/jm301872x
BindingDB Entry DOI: 10.7270/Q2G73G26
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Mus musculus)
BDBM50020883
PNG
((R)-Piperidine-3-carboxylic acid | (R)-nipecotic a...)
Show SMILES OC(=O)[C@@H]1CCCNC1 |r|
Show InChI InChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9)/t5-/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at mouse GAT2 expressed in HEK293 cells after 3 mins by scintillation counting analysis


J Med Chem 56: 2160-4 (2013)


Article DOI: 10.1021/jm301872x
BindingDB Entry DOI: 10.7270/Q2G73G26
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3


(Mus musculus)
BDBM50427392
PNG
(CHEMBL2326029)
Show SMILES CNC1CCCC=C1C(O)=O |c:6|
Show InChI InChI=1S/C8H13NO2/c1-9-7-5-3-2-4-6(7)8(10)11/h4,7,9H,2-3,5H2,1H3,(H,10,11)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at mouse GAT4 expressed in HEK293 cells after 3 mins by scintillation counting analysis


J Med Chem 56: 2160-4 (2013)


Article DOI: 10.1021/jm301872x
BindingDB Entry DOI: 10.7270/Q2G73G26
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Mus musculus)
BDBM50427392
PNG
(CHEMBL2326029)
Show SMILES CNC1CCCC=C1C(O)=O |c:6|
Show InChI InChI=1S/C8H13NO2/c1-9-7-5-3-2-4-6(7)8(10)11/h4,7,9H,2-3,5H2,1H3,(H,10,11)
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n/an/a 2.08E+6n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at GAT2 in mouse neurons after 3 mins by scintillation counting analysis


J Med Chem 56: 2160-4 (2013)


Article DOI: 10.1021/jm301872x
BindingDB Entry DOI: 10.7270/Q2G73G26
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Mus musculus)
BDBM50427392
PNG
(CHEMBL2326029)
Show SMILES CNC1CCCC=C1C(O)=O |c:6|
Show InChI InChI=1S/C8H13NO2/c1-9-7-5-3-2-4-6(7)8(10)11/h4,7,9H,2-3,5H2,1H3,(H,10,11)
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n/an/a 2.08E+6n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at GAT2 in mouse neurons after 3 mins by scintillation counting analysis


J Med Chem 56: 2160-4 (2013)


Article DOI: 10.1021/jm301872x
BindingDB Entry DOI: 10.7270/Q2G73G26
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Mus musculus)
BDBM50427392
PNG
(CHEMBL2326029)
Show SMILES CNC1CCCC=C1C(O)=O |c:6|
Show InChI InChI=1S/C8H13NO2/c1-9-7-5-3-2-4-6(7)8(10)11/h4,7,9H,2-3,5H2,1H3,(H,10,11)
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n/an/a 2.34E+6n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at mouse GAT1 expressed in HEK293 cells after 3 mins by scintillation counting analysis


J Med Chem 56: 2160-4 (2013)


Article DOI: 10.1021/jm301872x
BindingDB Entry DOI: 10.7270/Q2G73G26
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Mus musculus)
BDBM50427392
PNG
(CHEMBL2326029)
Show SMILES CNC1CCCC=C1C(O)=O |c:6|
Show InChI InChI=1S/C8H13NO2/c1-9-7-5-3-2-4-6(7)8(10)11/h4,7,9H,2-3,5H2,1H3,(H,10,11)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at mouse GAT1 expressed in HEK293 cells after 3 mins by scintillation counting analysis


J Med Chem 56: 2160-4 (2013)


Article DOI: 10.1021/jm301872x
BindingDB Entry DOI: 10.7270/Q2G73G26
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Mus musculus)
BDBM50427394
PNG
(CHEMBL2326027)
Show SMILES CN[C@H]1CCCC[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H15NO2/c1-9-7-5-3-2-4-6(7)8(10)11/h6-7,9H,2-5H2,1H3,(H,10,11)/t6-,7+/m1/s1
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University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at mouse GAT3 expressed in HEK293 cells after 3 mins by scintillation counting analysis


J Med Chem 56: 2160-4 (2013)


Article DOI: 10.1021/jm301872x
BindingDB Entry DOI: 10.7270/Q2G73G26
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Mus musculus)
BDBM50427395
PNG
(CHEMBL2326026)
Show SMILES CN[C@@H]1CCCC[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H15NO2/c1-9-7-5-3-2-4-6(7)8(10)11/h6-7,9H,2-5H2,1H3,(H,10,11)/t6-,7-/m1/s1
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University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at mouse GAT3 expressed in HEK293 cells after 3 mins by scintillation counting analysis


J Med Chem 56: 2160-4 (2013)


Article DOI: 10.1021/jm301872x
BindingDB Entry DOI: 10.7270/Q2G73G26
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Mus musculus)
BDBM50427396
PNG
(CHEMBL149914)
Show SMILES CNC1CCCc2o[nH]c(=O)c12
Show InChI InChI=1S/C8H12N2O2/c1-9-5-3-2-4-6-7(5)8(11)10-12-6/h5,9H,2-4H2,1H3,(H,10,11)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at mouse GAT3 expressed in HEK293 cells after 3 mins by scintillation counting analysis


J Med Chem 56: 2160-4 (2013)


Article DOI: 10.1021/jm301872x
BindingDB Entry DOI: 10.7270/Q2G73G26
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Mus musculus)
BDBM50427394
PNG
(CHEMBL2326027)
Show SMILES CN[C@H]1CCCC[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H15NO2/c1-9-7-5-3-2-4-6(7)8(10)11/h6-7,9H,2-5H2,1H3,(H,10,11)/t6-,7+/m1/s1
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University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at mouse GAT1 expressed in HEK293 cells after 3 mins by scintillation counting analysis


J Med Chem 56: 2160-4 (2013)


Article DOI: 10.1021/jm301872x
BindingDB Entry DOI: 10.7270/Q2G73G26
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Mus musculus)
BDBM50427395
PNG
(CHEMBL2326026)
Show SMILES CN[C@@H]1CCCC[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H15NO2/c1-9-7-5-3-2-4-6(7)8(10)11/h6-7,9H,2-5H2,1H3,(H,10,11)/t6-,7-/m1/s1
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University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at mouse GAT1 expressed in HEK293 cells after 3 mins by scintillation counting analysis


J Med Chem 56: 2160-4 (2013)


Article DOI: 10.1021/jm301872x
BindingDB Entry DOI: 10.7270/Q2G73G26
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Mus musculus)
BDBM50427395
PNG
(CHEMBL2326026)
Show SMILES CN[C@@H]1CCCC[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H15NO2/c1-9-7-5-3-2-4-6(7)8(10)11/h6-7,9H,2-5H2,1H3,(H,10,11)/t6-,7-/m1/s1
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University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at mouse GAT2 expressed in HEK293 cells after 3 mins by scintillation counting analysis


J Med Chem 56: 2160-4 (2013)


Article DOI: 10.1021/jm301872x
BindingDB Entry DOI: 10.7270/Q2G73G26
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Mus musculus)
BDBM50427396
PNG
(CHEMBL149914)
Show SMILES CNC1CCCc2o[nH]c(=O)c12
Show InChI InChI=1S/C8H12N2O2/c1-9-5-3-2-4-6-7(5)8(11)10-12-6/h5,9H,2-4H2,1H3,(H,10,11)
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University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at mouse GAT2 expressed in HEK293 cells after 3 mins by scintillation counting analysis


J Med Chem 56: 2160-4 (2013)


Article DOI: 10.1021/jm301872x
BindingDB Entry DOI: 10.7270/Q2G73G26
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Mus musculus)
BDBM50427394
PNG
(CHEMBL2326027)
Show SMILES CN[C@H]1CCCC[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H15NO2/c1-9-7-5-3-2-4-6(7)8(10)11/h6-7,9H,2-5H2,1H3,(H,10,11)/t6-,7+/m1/s1
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University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at mouse GAT2 expressed in HEK293 cells after 3 mins by scintillation counting analysis


J Med Chem 56: 2160-4 (2013)


Article DOI: 10.1021/jm301872x
BindingDB Entry DOI: 10.7270/Q2G73G26
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3


(Mus musculus)
BDBM50427394
PNG
(CHEMBL2326027)
Show SMILES CN[C@H]1CCCC[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H15NO2/c1-9-7-5-3-2-4-6(7)8(10)11/h6-7,9H,2-5H2,1H3,(H,10,11)/t6-,7+/m1/s1
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University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at mouse GAT4 expressed in HEK293 cells after 3 mins by scintillation counting analysis


J Med Chem 56: 2160-4 (2013)


Article DOI: 10.1021/jm301872x
BindingDB Entry DOI: 10.7270/Q2G73G26
More data for this
Ligand-Target Pair
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