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Compile Data Set for Download or QSAR

Found 803 hits Enz. Inhib. hit(s) with Target = 'GABA transporter' AND taxid = 10090   
Target
(Institution)
LigandTarget
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
GABA transporter


(Mus musculus)
BDBM50426075
PNG
(CHEMBL473104)
Show SMILES OC(=O)C1=CCCN(CCON=C(c2ccccc2)c2ccccc2)C1
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 40n/an/an/an/an/an/a



Ludwig Maximilians University at Munich

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at mouse GAT1 expressed in HEK293 cells after 25 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter


(Mus musculus)
BDBM50426072
PNG
(CHEMBL1190520)
Show SMILES OC(=O)[C@@H]1CCCN(CCOCCC(c2ccccc2)c2ccccc2)C1
Show InChI InChI=1S/C23H29NO3/c25-23(26)21-12-7-14-24(18-21)15-17-27-16-13-22(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-11,21-22H,7,12-18H2,(H,25,26)/t21-/m1/s1
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n/an/a 55n/an/an/an/an/an/a



Ludwig Maximilians University at Munich

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at mouse GAT1 expressed in HEK293 cells after 25 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter


(Mus musculus)
BDBM50039251
PNG
((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...)
Show SMILES Cc1ccsc1C(=CCCN1CCC[C@H](C1)C(O)=O)c1sccc1C
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 70n/an/an/an/an/an/a



Ludwig Maximilians University at Munich

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at mouse GAT1 expressed in HEK293 cells after 25 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter


(Mus musculus)
BDBM50368628
PNG
(ABT-569 | Abbott-70569 | Abbott-70569.1 | Gabitril...)
Show SMILES Cc1ccsc1C(=CCCN1CCC[C@H](C1)C(O)=O)c1sccc1C
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 80n/an/an/an/an/an/a



Zhengzhou University

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at mouse GAT1 expressed in D8 cells


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter


(Mus musculus)
BDBM50426074
PNG
(CHEMBL2315957)
Show SMILES OC(=O)[C@@H]1CCCN(CCO\N=C(/Cc2ccccc2F)c2ccccc2F)C1
Show InChI InChI=1S/C22H24F2N2O3/c23-19-9-3-1-6-16(19)14-21(18-8-2-4-10-20(18)24)25-29-13-12-26-11-5-7-17(15-26)22(27)28/h1-4,6,8-10,17H,5,7,11-15H2,(H,27,28)/b25-21+/t17-/m1/s1
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n/an/a 80n/an/an/an/an/an/a



Ludwig Maximilians University at Munich

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at mouse GAT1 expressed in HEK293 cells after 25 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter


(Mus musculus)
BDBM50426073
PNG
(CHEMBL2315958)
Show SMILES OC(=O)[C@@H]1CCCN(CCOCCc2ccccc2-c2ccccc2)C1
Show InChI InChI=1S/C22H27NO3/c24-22(25)20-10-6-13-23(17-20)14-16-26-15-12-19-9-4-5-11-21(19)18-7-2-1-3-8-18/h1-5,7-9,11,20H,6,10,12-17H2,(H,24,25)/t20-/m1/s1
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n/an/a 111n/an/an/an/an/an/a



Ludwig Maximilians University at Munich

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at mouse GAT1 expressed in HEK293 cells after 25 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter


(Mus musculus)
BDBM50003634
PNG
(1-(4,4-Diphenyl-but-3-enyl)-piperidine-3-carboxyli...)
Show SMILES OC(=O)C1CCCN(CCC=C(c2ccccc2)c2ccccc2)C1
Show InChI InChI=1S/C22H25NO2/c24-22(25)20-13-7-15-23(17-20)16-8-14-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,14,20H,7-8,13,15-17H2,(H,24,25)
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n/an/a 130n/an/an/an/an/an/a



Ludwig Maximilians University at Munich

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at mouse GAT1 expressed in HEK293 cells after 25 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter


(Mus musculus)
BDBM50039251
PNG
((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...)
Show SMILES Cc1ccsc1C(=CCCN1CCC[C@H](C1)C(O)=O)c1sccc1C
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


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter


(Mus musculus)
BDBM50039251
PNG
((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...)
Show SMILES Cc1ccsc1C(=CCCN1CCC[C@H](C1)C(O)=O)c1sccc1C
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 191n/an/an/an/an/an/a



Institute of Microbiology

Curated by ChEMBL


Assay Description
Inhibition of GAT1 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter


(Mus musculus)
BDBM50304268
PNG
((S)-2-(1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl...)
Show SMILES Cc1ccsc1C(=CCCN1CCC[C@H]1CC(O)=O)c1sccc1C
Show InChI InChI=1S/C20H25NO2S2/c1-14-7-11-24-19(14)17(20-15(2)8-12-25-20)6-4-10-21-9-3-5-16(21)13-18(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m0/s1
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n/an/a 340n/an/an/an/an/an/a



Institute of Microbiology

Curated by ChEMBL


Assay Description
Inhibition of GAT1 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter


(Mus musculus)
BDBM50039251
PNG
((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...)
Show SMILES Cc1ccsc1C(=CCCN1CCC[C@H](C1)C(O)=O)c1sccc1C
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


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter


(Mus musculus)
BDBM50304266
PNG
((S)-2-(1-(4,4-diphenylbut-3-enyl)pyrrolidin-2-yl)a...)
Show SMILES OC(=O)C[C@@H]1CCCN1CCC=C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H25NO2/c24-22(25)17-20-13-7-15-23(20)16-8-14-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,14,20H,7-8,13,15-17H2,(H,24,25)/t20-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



Institute of Microbiology

Curated by ChEMBL


Assay Description
Inhibition of GAT1 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter


(Mus musculus)
BDBM50304267
PNG
((S)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)py...)
Show SMILES Cc1ccsc1C(=CCCN1CCC[C@H]1C(O)=O)c1sccc1C
Show InChI InChI=1S/C19H23NO2S2/c1-13-7-11-23-17(13)15(18-14(2)8-12-24-18)5-3-9-20-10-4-6-16(20)19(21)22/h5,7-8,11-12,16H,3-4,6,9-10H2,1-2H3,(H,21,22)/t16-/m0/s1
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n/an/a 650n/an/an/an/an/an/a



Institute of Microbiology

Curated by ChEMBL


Assay Description
Inhibition of GAT1 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter


(Mus musculus)
BDBM50039251
PNG
((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...)
Show SMILES Cc1ccsc1C(=CCCN1CCC[C@H](C1)C(O)=O)c1sccc1C
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


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter


(Mus musculus)
BDBM50371220
PNG
(CHEMBL538839)
Show SMILES OC(=O)C1CCCN(CCS(=O)C(c2ccccc2)c2ccccc2)C1
Show InChI InChI=1S/C21H25NO3S/c23-21(24)19-12-7-13-22(16-19)14-15-26(25)20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2,(H,23,24)
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n/an/a 920n/an/an/an/an/an/a



Zhengzhou University

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at mouse GAT1 expressed in D8 cells


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter


(Mus musculus)
BDBM50371217
PNG
(CHEMBL558578)
Show SMILES Cc1ccc(cc1)C(c1ccc(C)cc1)S(=O)CCN1CCCC(C1)C(O)=O
Show InChI InChI=1S/C23H29NO3S/c1-17-5-9-19(10-6-17)22(20-11-7-18(2)8-12-20)28(27)15-14-24-13-3-4-21(16-24)23(25)26/h5-12,21-22H,3-4,13-16H2,1-2H3,(H,25,26)
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n/an/a 1.18E+3n/an/an/an/an/an/a



Zhengzhou University

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at mouse GAT1 expressed in D8 cells


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter


(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


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter


(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 1.40E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter


(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


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter


(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
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 1.95E+3n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT4 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake


Citation and Details
More data for this
Ligand-Target Pair
GABA 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
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


Citation and Details
More data for this
Ligand-Target Pair
GABA 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
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


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter


(Mus musculus)
BDBM50304265
PNG
((S)-1-(4,4-diphenylbut-3-enyl)pyrrolidine-2-carbox...)
Show SMILES OC(=O)[C@@H]1CCCN1CCC=C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H23NO2/c23-21(24)20-14-8-16-22(20)15-7-13-19(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-13,20H,7-8,14-16H2,(H,23,24)/t20-/m0/s1
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n/an/a 2.56E+3n/an/an/an/an/an/a



Institute of Microbiology

Curated by ChEMBL


Assay Description
Inhibition of GAT1 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter


(Mus musculus)
BDBM50304263
PNG
(2-((2S,4R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-...)
Show SMILES Cc1ccsc1C(=CCCN1C[C@H](F)C[C@@H]1CC(O)=O)c1sccc1C
Show InChI InChI=1S/C20H24FNO2S2/c1-13-5-8-25-19(13)17(20-14(2)6-9-26-20)4-3-7-22-12-15(21)10-16(22)11-18(23)24/h4-6,8-9,15-16H,3,7,10-12H2,1-2H3,(H,23,24)/t15-,16-/m1/s1
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n/an/a 2.97E+3n/an/an/an/an/an/a



Institute of Microbiology

Curated by ChEMBL


Assay Description
Inhibition of GAT1 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter


(Mus musculus)
BDBM50304271
PNG
(2-((2S,4R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-...)
Show SMILES Cc1ccsc1C(=CCCN1C[C@H](O)C[C@H]1CC(O)=O)c1sccc1C
Show InChI InChI=1S/C20H25NO3S2/c1-13-5-8-25-19(13)17(20-14(2)6-9-26-20)4-3-7-21-12-16(22)10-15(21)11-18(23)24/h4-6,8-9,15-16,22H,3,7,10-12H2,1-2H3,(H,23,24)/t15-,16+/m0/s1
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n/an/a 3.15E+3n/an/an/an/an/an/a



Institute of Microbiology

Curated by ChEMBL


Assay Description
Inhibition of GAT1 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter


(Mus musculus)
BDBM50304270
PNG
(2-((2S,4R)-1-(4,4-diphenylbut-3-enyl)-4-hydroxypyr...)
Show SMILES O[C@@H]1C[C@@H](CC(O)=O)N(CCC=C(c2ccccc2)c2ccccc2)C1
Show InChI InChI=1S/C22H25NO3/c24-20-14-19(15-22(25)26)23(16-20)13-7-12-21(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-12,19-20,24H,7,13-16H2,(H,25,26)/t19-,20+/m0/s1
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n/an/a 3.29E+3n/an/an/an/an/an/a



Institute of Microbiology

Curated by ChEMBL


Assay Description
Inhibition of GAT1 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter


(Mus musculus)
BDBM50304261
PNG
(2-((2S,4R)-1-(4,4-diphenylbut-3-enyl)-4-fluoropyrr...)
Show SMILES OC(=O)C[C@H]1C[C@@H](F)CN1CCC=C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H24FNO2/c23-19-14-20(15-22(25)26)24(16-19)13-7-12-21(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-12,19-20H,7,13-16H2,(H,25,26)/t19-,20-/m1/s1
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n/an/a 3.96E+3n/an/an/an/an/an/a



Institute of Microbiology

Curated by ChEMBL


Assay Description
Inhibition of GAT1 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
GABA 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
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 4.00E+3n/an/an/an/an/an/a



Ludwig-Maximilians-University Munich

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT1-mediated [3H]GABA uptake expressed in human HEK cells


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter


(Mus musculus)
BDBM50020883
PNG
((R)-Piperidine-3-carboxylic acid | (R)-nipecotic a...)
Show SMILES OC(=O)[C@@H]1CCCNC1
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 4.00E+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


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter


(Mus musculus)
BDBM50020883
PNG
((R)-Piperidine-3-carboxylic acid | (R)-nipecotic a...)
Show SMILES OC(=O)[C@@H]1CCCNC1
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 4.00E+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


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter


(Mus musculus)
BDBM50304272
PNG
(2-((2S,4S)-1-(4,4-diphenylbut-3-enyl)-4-hydroxypyr...)
Show SMILES O[C@H]1C[C@@H](CC(O)=O)N(CCC=C(c2ccccc2)c2ccccc2)C1
Show InChI InChI=1S/C22H25NO3/c24-20-14-19(15-22(25)26)23(16-20)13-7-12-21(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-12,19-20,24H,7,13-16H2,(H,25,26)/t19-,20-/m0/s1
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n/an/a 4.92E+3n/an/an/an/an/an/a



Institute of Microbiology

Curated by ChEMBL


Assay Description
Inhibition of GAT1 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter


(Mus musculus)
BDBM50304264
PNG
(2-((2S,4S)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-...)
Show SMILES Cc1ccsc1C(=CCCN1C[C@@H](F)C[C@@H]1CC(O)=O)c1sccc1C
Show InChI InChI=1S/C20H24FNO2S2/c1-13-5-8-25-19(13)17(20-14(2)6-9-26-20)4-3-7-22-12-15(21)10-16(22)11-18(23)24/h4-6,8-9,15-16H,3,7,10-12H2,1-2H3,(H,23,24)/t15-,16+/m0/s1
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n/an/a 4.94E+3n/an/an/an/an/an/a



Institute of Microbiology

Curated by ChEMBL


Assay Description
Inhibition of GAT1 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter


(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 5.00E+3n/an/an/an/an/an/a



Ludwig Maximilians University at Munich

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at mouse GAT1 expressed in HEK293 cells after 25 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter


(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
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


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter


(Mus musculus)
BDBM50304273
PNG
(2-((2S,4S)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-...)
Show SMILES Cc1ccsc1C(=CCCN1C[C@@H](O)C[C@H]1CC(O)=O)c1sccc1C
Show InChI InChI=1S/C20H25NO3S2/c1-13-5-8-25-19(13)17(20-14(2)6-9-26-20)4-3-7-21-12-16(22)10-15(21)11-18(23)24/h4-6,8-9,15-16,22H,3,7,10-12H2,1-2H3,(H,23,24)/t15-,16-/m0/s1
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n/an/a 5.14E+3n/an/an/an/an/an/a



Institute of Microbiology

Curated by ChEMBL


Assay Description
Inhibition of GAT1 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter


(Mus musculus)
BDBM50304262
PNG
(2-((2S,4S)-1-(4,4-diphenylbut-3-enyl)-4-fluoropyrr...)
Show SMILES OC(=O)C[C@H]1C[C@H](F)CN1CCC=C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H24FNO2/c23-19-14-20(15-22(25)26)24(16-19)13-7-12-21(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-12,19-20H,7,13-16H2,(H,25,26)/t19-,20+/m0/s1
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n/an/a 5.81E+3n/an/an/an/an/an/a



Institute of Microbiology

Curated by ChEMBL


Assay Description
Inhibition of GAT1 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter


(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 5.89E+3n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT2 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter


(Mus musculus)
BDBM50021385
PNG
(CHEMBL3289583)
Show SMILES Cc1ccc(CNC(=O)C(CCN)N2CCC(CC2)=C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C30H35N3O/c1-23-12-14-24(15-13-23)22-32-30(34)28(16-19-31)33-20-17-27(18-21-33)29(25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-15,28H,16-22,31H2,1H3,(H,32,34)
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n/an/a 5.89E+3n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT2 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter


(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
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 6.00E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of mouse mGAT4 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter


(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
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 6.30E+3n/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


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


Bioorg Med Chem Lett 26: 417-23 (2016)

More data for this
Ligand-Target Pair
GABA transporter


(Mus musculus)
BDBM50021360
PNG
(CHEMBL3289575)
Show SMILES CN(CCC=C(c1ccccc1)c1ccccc1)C(CCN)C(=O)NCc1ccccc1Cl
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



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT2 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter


(Mus musculus)
BDBM50021372
PNG
(CHEMBL3289296)
Show SMILES NCCC(NCCC=C(c1ccccc1)c1ccccc1)C(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C27H30ClN3O/c28-25-16-8-7-14-23(25)20-31-27(32)26(17-18-29)30-19-9-15-24(21-10-3-1-4-11-21)22-12-5-2-6-13-22/h1-8,10-16,26,30H,9,17-20,29H2,(H,31,32)
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n/an/a 6.92E+3n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT2 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake


Citation and Details
More data for this
Ligand-Target Pair
GABA 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
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


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter


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



Ludwig-Maximilians-University Munich

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT1-mediated [3H]GABA uptake expressed in human HEK cells


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter


(Mus musculus)
BDBM50021390
PNG
(CHEMBL3289588)
Show SMILES Cc1ccc(CNC(=O)C(CCN)N2CCC(CC2)C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C30H37N3O/c1-23-12-14-24(15-13-23)22-32-30(34)28(16-19-31)33-20-17-27(18-21-33)29(25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-15,27-29H,16-22,31H2,1H3,(H,32,34)
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n/an/a 7.41E+3n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT4 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake


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More data for this
Ligand-Target Pair
GABA transporter


(Mus musculus)
BDBM50021377
PNG
(CHEMBL3289570)
Show SMILES CN(CCCC(c1ccccc1)c1ccccc1)C(CCN)C(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C28H34ClN3O/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/h2-9,11-15,17,25,27H,10,16,18-21,30H2,1H3,(H,31,33)
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n/an/a 7.76E+3n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT2 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter


(Mus musculus)
BDBM50021371
PNG
(CHEMBL3289295)
Show SMILES NCCC(NCCC=C(c1ccccc1)c1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C27H31N3O/c28-19-18-26(27(31)30-21-22-11-4-1-5-12-22)29-20-10-17-25(23-13-6-2-7-14-23)24-15-8-3-9-16-24/h1-9,11-17,26,29H,10,18-21,28H2,(H,30,31)
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n/an/a 7.94E+3n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT2 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter


(Mus musculus)
BDBM50021390
PNG
(CHEMBL3289588)
Show SMILES Cc1ccc(CNC(=O)C(CCN)N2CCC(CC2)C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C30H37N3O/c1-23-12-14-24(15-13-23)22-32-30(34)28(16-19-31)33-20-17-27(18-21-33)29(25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-15,27-29H,16-22,31H2,1H3,(H,32,34)
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n/an/a 7.94E+3n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT2 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter


(Mus musculus)
BDBM50003624
PNG
((RS)-nipecotic acid | CHEMBL277498 | Nipecotic | P...)
Show SMILES OC(=O)C1CCCNC1
Show InChI InChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9)
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n/an/a 8.00E+3n/an/an/an/an/an/a



Ludwig Maximilians University at Munich

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at mouse GAT1 expressed in HEK293 cells after 25 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter


(Mus musculus)
BDBM50419348
PNG
(CHEMBL1917037)
Show SMILES CC(C)(C)CC(C)(C)n1nnnc1CNCCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H35N5/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/h6-15,22,26H,16-19H2,1-5H3
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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 GAT3-mediated [3H]GABA uptake expressed in human HEK cells


Citation and Details
More data for this
Ligand-Target Pair
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