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Compile Data Set for Download or QSAR

Found 196 hits Enz. Inhib. hit(s) with Target = 'GABA transporter' AND taxid = 9606   
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 1


(Homo sapiens)
BDBM50334247
PNG
((R,E)-1-(4-(2-fluorophenyl)-4-o-tolylbut-3-enyl)pi...)
Show SMILES Cc1ccccc1\C(=C/CCN1CCC[C@H](C1)C(O)=O)c1ccccc1F
Show InChI InChI=1S/C23H26FNO2/c1-17-8-2-3-10-19(17)20(21-11-4-5-13-22(21)24)12-7-15-25-14-6-9-18(16-25)23(26)27/h2-5,8,10-13,18H,6-7,9,14-16H2,1H3,(H,26,27)/b20-12+/t18-/m1/s1
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14.8n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens)
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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17.0n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens)
BDBM50417649
PNG
(CHEMBL1642396)
Show SMILES OC(=O)[C@@H]1CCCN(CC\C=C(\c2ccccc2F)c2ccccc2Cl)C1
Show InChI InChI=1S/C22H23ClFNO2/c23-20-11-3-1-8-18(20)17(19-9-2-4-12-21(19)24)10-6-14-25-13-5-7-16(15-25)22(26)27/h1-4,8-12,16H,5-7,13-15H2,(H,26,27)/b17-10+/t16-/m1/s1
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18.2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens)
BDBM50417641
PNG
(CHEMBL1642400)
Show SMILES Cc1cc(F)ccc1\C(=C/CCN1CCC[C@H](C1)C(O)=O)c1ccccc1F
Show InChI InChI=1S/C23H25F2NO2/c1-16-14-18(24)10-11-19(16)20(21-7-2-3-9-22(21)25)8-5-13-26-12-4-6-17(15-26)23(27)28/h2-3,7-11,14,17H,4-6,12-13,15H2,1H3,(H,27,28)/b20-8+/t17-/m1/s1
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19.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens)
BDBM50417627
PNG
(CHEMBL1642378)
Show SMILES Cc1ccccc1\C(=C/CCN1CCC[C@H](C1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C23H27NO2/c1-18-9-5-6-13-21(18)22(19-10-3-2-4-11-19)14-8-16-24-15-7-12-20(17-24)23(25)26/h2-6,9-11,13-14,20H,7-8,12,15-17H2,1H3,(H,25,26)/b22-14-/t20-/m1/s1
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20.4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens)
BDBM50417639
PNG
(CHEMBL1642397)
Show SMILES OC(=O)[C@@H]1CCCN(CC\C=C(\c2ccccc2F)c2ccccc2Br)C1
Show InChI InChI=1S/C22H23BrFNO2/c23-20-11-3-1-8-18(20)17(19-9-2-4-12-21(19)24)10-6-14-25-13-5-7-16(15-25)22(26)27/h1-4,8-12,16H,5-7,13-15H2,(H,26,27)/b17-10+/t16-/m1/s1
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21.9n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens)
BDBM50417626
PNG
(CHEMBL1642376)
Show SMILES OC(=O)[C@@H]1CCCN(CC\C=C(\c2ccccc2)c2ccccc2Br)C1
Show InChI InChI=1S/C22H24BrNO2/c23-21-13-5-4-11-20(21)19(17-8-2-1-3-9-17)12-7-15-24-14-6-10-18(16-24)22(25)26/h1-5,8-9,11-13,18H,6-7,10,14-16H2,(H,25,26)/b19-12-/t18-/m1/s1
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28.8n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens)
BDBM50417628
PNG
(CHEMBL1642379)
Show SMILES CCc1ccccc1\C(=C/CCN1CCC[C@H](C1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C24H29NO2/c1-2-19-10-6-7-14-22(19)23(20-11-4-3-5-12-20)15-9-17-25-16-8-13-21(18-25)24(26)27/h3-7,10-12,14-15,21H,2,8-9,13,16-18H2,1H3,(H,26,27)/b23-15-/t21-/m1/s1
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29.5n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens)
BDBM50417631
PNG
(CHEMBL1642384)
Show SMILES Cc1cc(F)ccc1\C(=C/CCN1CCC[C@H](C1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C23H26FNO2/c1-17-15-20(24)11-12-21(17)22(18-7-3-2-4-8-18)10-6-14-25-13-5-9-19(16-25)23(26)27/h2-4,7-8,10-12,15,19H,5-6,9,13-14,16H2,1H3,(H,26,27)/b22-10-/t19-/m1/s1
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33.9n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens)
BDBM50417638
PNG
(CHEMBL1642395)
Show SMILES CCc1ccccc1\C(=C/CCN1CCC[C@H](C1)C(O)=O)c1ccccc1F
Show InChI InChI=1S/C24H28FNO2/c1-2-18-9-3-4-11-20(18)21(22-12-5-6-14-23(22)25)13-8-16-26-15-7-10-19(17-26)24(27)28/h3-6,9,11-14,19H,2,7-8,10,15-17H2,1H3,(H,27,28)/b21-13+/t19-/m1/s1
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38.0n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens)
BDBM50417642
PNG
(CHEMBL1642401)
Show SMILES Cc1cc(F)ccc1\C(=C/CCN1CCC[C@H](C1)C(O)=O)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C24H25F4NO2/c1-16-14-18(25)10-11-19(16)20(21-7-2-3-9-22(21)24(26,27)28)8-5-13-29-12-4-6-17(15-29)23(30)31/h2-3,7-11,14,17H,4-6,12-13,15H2,1H3,(H,30,31)/b20-8+/t17-/m1/s1
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38.9n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens)
BDBM50417625
PNG
(CHEMBL1642375)
Show SMILES OC(=O)[C@@H]1CCCN(CC\C=C(\c2ccccc2)c2ccccc2Cl)C1
Show InChI InChI=1S/C22H24ClNO2/c23-21-13-5-4-11-20(21)19(17-8-2-1-3-9-17)12-7-15-24-14-6-10-18(16-24)22(25)26/h1-5,8-9,11-13,18H,6-7,10,14-16H2,(H,25,26)/b19-12-/t18-/m1/s1
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40.7n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens)
BDBM50417637
PNG
(CHEMBL1642394)
Show SMILES Cc1ccccc1C(=CCCN1CCC[C@H](C1)C(O)=O)c1ccccc1C
Show InChI InChI=1S/C24H29NO2/c1-18-9-3-5-12-21(18)23(22-13-6-4-10-19(22)2)14-8-16-25-15-7-11-20(17-25)24(26)27/h3-6,9-10,12-14,20H,7-8,11,15-17H2,1-2H3,(H,26,27)/t20-/m1/s1
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41.7n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens)
BDBM50417666
PNG
(CHEMBL1642388)
Show SMILES OC(=O)[C@@H]1CCCN(CCC=C(c2ccccc2F)c2ccccc2F)C1
Show InChI InChI=1S/C22H23F2NO2/c23-20-11-3-1-8-18(20)17(19-9-2-4-12-21(19)24)10-6-14-25-13-5-7-16(15-25)22(26)27/h1-4,8-12,16H,5-7,13-15H2,(H,26,27)/t16-/m1/s1
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46.8n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens)
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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48n/an/an/an/an/an/an/an/a



Ludwig-Maximilians-Universit£t M£nchen

Curated by ChEMBL


Assay Description
Binding affinity to human GAT1 expressed in HEK293 cells using NO71156 as unlabelled marker by LC-ESI-MS-MS based competitive MS binding assay


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens)
BDBM50417640
PNG
(CHEMBL1642398)
Show SMILES OC(=O)[C@@H]1CCCN(CC\C=C(\c2ccccc2F)c2ccccc2OC(F)(F)F)C1
Show InChI InChI=1S/C23H23F4NO3/c24-20-11-3-1-8-18(20)17(19-9-2-4-12-21(19)31-23(25,26)27)10-6-14-28-13-5-7-16(15-28)22(29)30/h1-4,8-12,16H,5-7,13-15H2,(H,29,30)/b17-10-/t16-/m1/s1
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52.5n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens)
BDBM50417650
PNG
(CHEMBL1642399)
Show SMILES COc1ccccc1\C(=C/CCN1CCC[C@H](C1)C(O)=O)c1ccccc1F
Show InChI InChI=1S/C23H26FNO3/c1-28-22-13-5-3-10-20(22)18(19-9-2-4-12-21(19)24)11-7-15-25-14-6-8-17(16-25)23(26)27/h2-5,9-13,17H,6-8,14-16H2,1H3,(H,26,27)/b18-11-/t17-/m1/s1
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53.7n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens)
BDBM50417629
PNG
(CHEMBL1642381)
Show SMILES COc1ccccc1\C(=C/CCN1CCC[C@H](C1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C23H27NO3/c1-27-22-14-6-5-12-21(22)20(18-9-3-2-4-10-18)13-8-16-24-15-7-11-19(17-24)23(25)26/h2-6,9-10,12-14,19H,7-8,11,15-17H2,1H3,(H,25,26)/b20-13-/t19-/m1/s1
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56.2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens)
BDBM50417630
PNG
(CHEMBL1642382)
Show SMILES OC(=O)[C@@H]1CCCN(CC\C=C(\c2ccccc2)c2ccccc2OC(F)(F)F)C1
Show InChI InChI=1S/C23H24F3NO3/c24-23(25,26)30-21-13-5-4-11-20(21)19(17-8-2-1-3-9-17)12-7-15-27-14-6-10-18(16-27)22(28)29/h1-5,8-9,11-13,18H,6-7,10,14-16H2,(H,28,29)/b19-12-/t18-/m1/s1
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58.9n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens)
BDBM50417635
PNG
(CHEMBL1642391)
Show SMILES Cc1ccccc1\C(=C/CCN1CCC[C@H](C1)C(O)=O)c1ccccc1Cl
Show InChI InChI=1S/C23H26ClNO2/c1-17-8-2-3-10-19(17)20(21-11-4-5-13-22(21)24)12-7-15-25-14-6-9-18(16-25)23(26)27/h2-5,8,10-13,18H,6-7,9,14-16H2,1H3,(H,26,27)/b20-12+/t18-/m1/s1
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61.7n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens)
BDBM50063498
PNG
(CHEMBL3398501)
Show SMILES Cc1ccsc1C(=CCCN1CCC[C@@H]1[C@H](O)C(O)=O)c1sccc1C
Show InChI InChI=1/C20H25NO3S2/c1-13-7-11-25-18(13)15(19-14(2)8-12-26-19)5-3-9-21-10-4-6-16(21)17(22)20(23)24/h5,7-8,11-12,16-17,22H,3-4,6,9-10H2,1-2H3,(H,23,24)/t16-,17+/s2
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66n/an/an/an/an/an/an/an/a



Ludwig-Maximilians-Universit£t M£nchen

Curated by ChEMBL


Assay Description
Binding affinity to human GAT1 expressed in HEK293 cells using NO71156 as unlabelled marker by LC-ESI-MS-MS based competitive MS binding assay


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens)
BDBM50417659
PNG
(CHEMBL1642374)
Show SMILES OC(=O)[C@@H]1CCCN(CC\C=C(\c2ccccc2)c2ccccc2F)C1
Show InChI InChI=1S/C22H24FNO2/c23-21-13-5-4-11-20(21)19(17-8-2-1-3-9-17)12-7-15-24-14-6-10-18(16-24)22(25)26/h1-5,8-9,11-13,18H,6-7,10,14-16H2,(H,25,26)/b19-12-/t18-/m1/s1
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69.2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens)
BDBM50417665
PNG
(CHEMBL1642393)
Show SMILES COc1ccccc1\C(=C\CCN1CCC[C@H](C1)C(O)=O)c1ccccc1C
Show InChI InChI=1S/C24H29NO3/c1-18-9-3-4-11-20(18)21(22-12-5-6-14-23(22)28-2)13-8-16-25-15-7-10-19(17-25)24(26)27/h3-6,9,11-14,19H,7-8,10,15-17H2,1-2H3,(H,26,27)/b21-13+/t19-/m1/s1
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70.8n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens)
BDBM50417663
PNG
(CHEMBL1642386)
Show SMILES Cc1ccccc1\C(=C\CCN1CCC[C@H](C1)C(O)=O)c1ccccc1F
Show InChI InChI=1S/C23H26FNO2/c1-17-8-2-3-10-19(17)20(21-11-4-5-13-22(21)24)12-7-15-25-14-6-9-18(16-25)23(26)27/h2-5,8,10-13,18H,6-7,9,14-16H2,1H3,(H,26,27)/b20-12-/t18-/m1/s1
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72.4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens)
BDBM50020891
PNG
((R)-1-(4,4-Diphenyl-but-3-enyl)-piperidine-3-carbo...)
Show SMILES OC(=O)[C@@H]1CCCN(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)/t20-/m1/s1
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72.4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens)
BDBM50417632
PNG
(CHEMBL1642385)
Show SMILES Cc1cccc(C)c1\C(=C/CCN1CCC[C@H](C1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C24H29NO2/c1-18-9-6-10-19(2)23(18)22(20-11-4-3-5-12-20)14-8-16-25-15-7-13-21(17-25)24(26)27/h3-6,9-12,14,21H,7-8,13,15-17H2,1-2H3,(H,26,27)/b22-14-/t21-/m1/s1
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77.6n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens)
BDBM50417633
PNG
(CHEMBL1642387)
Show SMILES CCc1ccccc1\C(=C\CCN1CCC[C@H](C1)C(O)=O)c1ccccc1F
Show InChI InChI=1S/C24H28FNO2/c1-2-18-9-3-4-11-20(18)21(22-12-5-6-14-23(22)25)13-8-16-26-15-7-10-19(17-26)24(27)28/h3-6,9,11-14,19H,2,7-8,10,15-17H2,1H3,(H,27,28)/b21-13-/t19-/m1/s1
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89.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens)
BDBM50417660
PNG
(CHEMBL1642377)
Show SMILES OC(=O)[C@@H]1CCCN(CC\C=C(\c2ccccc2)c2ccccc2C(F)(F)F)C1
Show InChI InChI=1S/C23H24F3NO2/c24-23(25,26)21-13-5-4-11-20(21)19(17-8-2-1-3-9-17)12-7-15-27-14-6-10-18(16-27)22(28)29/h1-5,8-9,11-13,18H,6-7,10,14-16H2,(H,28,29)/b19-12-/t18-/m1/s1
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93.3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens)
BDBM50417620
PNG
(CHEMBL1642367)
Show SMILES Cc1ccccc1\C(=C\CCN1CCC[C@H](C1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C23H27NO2/c1-18-9-5-6-13-21(18)22(19-10-3-2-4-11-19)14-8-16-24-15-7-12-20(17-24)23(25)26/h2-6,9-11,13-14,20H,7-8,12,15-17H2,1H3,(H,25,26)/b22-14+/t20-/m1/s1
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93.3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens)
BDBM50417621
PNG
(CHEMBL1642368)
Show SMILES CCc1ccccc1\C(=C\CCN1CCC[C@H](C1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C24H29NO2/c1-2-19-10-6-7-14-22(19)23(20-11-4-3-5-12-20)15-9-17-25-16-8-13-21(18-25)24(26)27/h3-7,10-12,14-15,21H,2,8-9,13,16-18H2,1H3,(H,26,27)/b23-15+/t21-/m1/s1
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102n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens)
BDBM50417651
PNG
(CHEMBL1642402)
Show SMILES Cc1ccc(s1)C(=CCCN1CCCC(F)(C1)C(O)=O)c1ccc(C)s1
Show InChI InChI=1S/C20H24FNO2S2/c1-14-6-8-17(25-14)16(18-9-7-15(2)26-18)5-3-11-22-12-4-10-20(21,13-22)19(23)24/h5-9H,3-4,10-13H2,1-2H3,(H,23,24)
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138n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens)
BDBM50417664
PNG
(CHEMBL1642389)
Show SMILES OC(=O)[C@@H]1CCCN(CC\C=C(/c2ccccc2F)c2ccccc2Cl)C1
Show InChI InChI=1S/C22H23ClFNO2/c23-20-11-3-1-8-18(20)17(19-9-2-4-12-21(19)24)10-6-14-25-13-5-7-16(15-25)22(26)27/h1-4,8-12,16H,5-7,13-15H2,(H,26,27)/b17-10-/t16-/m1/s1
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158n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens)
BDBM50417618
PNG
(CHEMBL1642364)
Show SMILES OC(=O)[C@@H]1CCCN(CC\C=C(/c2ccccc2)c2ccccc2Cl)C1
Show InChI InChI=1S/C22H24ClNO2/c23-21-13-5-4-11-20(21)19(17-8-2-1-3-9-17)12-7-15-24-14-6-10-18(16-24)22(25)26/h1-5,8-9,11-13,18H,6-7,10,14-16H2,(H,25,26)/b19-12+/t18-/m1/s1
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166n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens)
BDBM50417619
PNG
(CHEMBL1642365)
Show SMILES OC(=O)[C@@H]1CCCN(CC\C=C(/c2ccccc2)c2ccccc2Br)C1
Show InChI InChI=1S/C22H24BrNO2/c23-21-13-5-4-11-20(21)19(17-8-2-1-3-9-17)12-7-15-24-14-6-10-18(16-24)22(25)26/h1-5,8-9,11-13,18H,6-7,10,14-16H2,(H,25,26)/b19-12+/t18-/m1/s1
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200n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens)
BDBM50063503
PNG
(CHEMBL3398499)
Show SMILES O[C@@H]([C@H]1CCCN1CCC=C(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1/C22H25NO3/c24-21(22(25)26)20-14-8-16-23(20)15-7-13-19(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-13,20-21,24H,7-8,14-16H2,(H,25,26)/t20-,21+/s2
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214n/an/an/an/an/an/an/an/a



Ludwig-Maximilians-Universit£t M£nchen

Curated by ChEMBL


Assay Description
Binding affinity to human GAT1 expressed in HEK293 cells using NO71156 as unlabelled marker by LC-ESI-MS-MS based competitive MS binding assay


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens)
BDBM50417662
PNG
(CHEMBL1642383)
Show SMILES OC(=O)[C@@H]1CCCN(CC\C=C(\c2ccccc2)c2c(F)cccc2F)C1
Show InChI InChI=1S/C22H23F2NO2/c23-19-11-4-12-20(24)21(19)18(16-7-2-1-3-8-16)10-6-14-25-13-5-9-17(15-25)22(26)27/h1-4,7-8,10-12,17H,5-6,9,13-15H2,(H,26,27)/b18-10-/t17-/m1/s1
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331n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens)
BDBM50417634
PNG
(CHEMBL1642390)
Show SMILES OC(=O)[C@@H]1CCCN(CC\C=C(/c2ccccc2F)c2ccccc2C(F)(F)F)C1
Show InChI InChI=1S/C23H23F4NO2/c24-21-12-4-2-9-19(21)17(18-8-1-3-11-20(18)23(25,26)27)10-6-14-28-13-5-7-16(15-28)22(29)30/h1-4,8-12,16H,5-7,13-15H2,(H,29,30)/b17-10-/t16-/m1/s1
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355n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens)
BDBM50417622
PNG
(CHEMBL1642370)
Show SMILES COc1ccccc1\C(=C\CCN1CCC[C@H](C1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C23H27NO3/c1-27-22-14-6-5-12-21(22)20(18-9-3-2-4-10-18)13-8-16-24-15-7-11-19(17-24)23(25)26/h2-6,9-10,12-14,19H,7-8,11,15-17H2,1H3,(H,25,26)/b20-13+/t19-/m1/s1
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372n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens)
BDBM50417655
PNG
(CHEMBL1642363)
Show SMILES OC(=O)[C@@H]1CCCN(CC\C=C(/c2ccccc2)c2ccccc2F)C1
Show InChI InChI=1S/C22H24FNO2/c23-21-13-5-4-11-20(21)19(17-8-2-1-3-9-17)12-7-15-24-14-6-10-18(16-24)22(25)26/h1-5,8-9,11-13,18H,6-7,10,14-16H2,(H,25,26)/b19-12+/t18-/m1/s1
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372n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens)
BDBM50417624
PNG
(CHEMBL1642373)
Show SMILES Cc1cc(F)ccc1\C(=C\CCN1CCC[C@H](C1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C23H26FNO2/c1-17-15-20(24)11-12-21(17)22(18-7-3-2-4-8-18)10-6-14-25-13-5-9-19(16-25)23(26)27/h2-4,7-8,10-12,15,19H,5-6,9,13-14,16H2,1H3,(H,26,27)/b22-10+/t19-/m1/s1
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380n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens)
BDBM50417636
PNG
(CHEMBL1642392)
Show SMILES Cc1ccccc1\C(=C/CCN1CCC[C@H](C1)C(O)=O)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C24H26F3NO2/c1-17-8-2-3-10-19(17)20(21-11-4-5-13-22(21)24(25,26)27)12-7-15-28-14-6-9-18(16-28)23(29)30/h2-5,8,10-13,18H,6-7,9,14-16H2,1H3,(H,29,30)/b20-12+/t18-/m1/s1
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380n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens)
BDBM50417623
PNG
(CHEMBL1642371)
Show SMILES OC(=O)[C@@H]1CCCN(CC\C=C(/c2ccccc2)c2ccccc2OC(F)(F)F)C1
Show InChI InChI=1S/C23H24F3NO3/c24-23(25,26)30-21-13-5-4-11-20(21)19(17-8-2-1-3-9-17)12-7-15-27-14-6-10-18(16-27)22(28)29/h1-5,8-9,11-13,18H,6-7,10,14-16H2,(H,28,29)/b19-12+/t18-/m1/s1
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646n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens)
BDBM50417657
PNG
(CHEMBL1642369)
Show SMILES OC(=O)[C@@H]1CCCN(CC\C=C(/c2ccccc2)c2ccccc2-c2ccccc2)C1
Show InChI InChI=1S/C28H29NO2/c30-28(31)24-15-9-19-29(21-24)20-10-18-26(23-13-5-2-6-14-23)27-17-8-7-16-25(27)22-11-3-1-4-12-22/h1-8,11-14,16-18,24H,9-10,15,19-21H2,(H,30,31)/b26-18+/t24-/m1/s1
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676n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens)
BDBM50417658
PNG
(CHEMBL1642372)
Show SMILES OC(=O)[C@@H]1CCCN(CC\C=C(/c2ccccc2)c2c(F)cccc2F)C1
Show InChI InChI=1S/C22H23F2NO2/c23-19-11-4-12-20(24)21(19)18(16-7-2-1-3-8-16)10-6-14-25-13-5-9-17(15-25)22(26)27/h1-4,7-8,10-12,17H,5-6,9,13-15H2,(H,26,27)/b18-10+/t17-/m1/s1
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692n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens)
BDBM50417643
PNG
(CHEMBL1642403)
Show SMILES OC(=O)C1(F)CCCN(CCC=C(c2ccccc2)c2ccccc2)C1
Show InChI InChI=1S/C22H24FNO2/c23-22(21(25)26)14-8-16-24(17-22)15-7-13-20(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-13H,7-8,14-17H2,(H,25,26)
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832n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens)
BDBM50417661
PNG
(CHEMBL1642380)
Show SMILES OC(=O)[C@@H]1CCCN(CC\C=C(\c2ccccc2)c2ccccc2-c2ccccc2)C1
Show InChI InChI=1S/C28H29NO2/c30-28(31)24-15-9-19-29(21-24)20-10-18-26(23-13-5-2-6-14-23)27-17-8-7-16-25(27)22-11-3-1-4-12-22/h1-8,11-14,16-18,24H,9-10,15,19-21H2,(H,30,31)/b26-18-/t24-/m1/s1
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1.07E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens)
BDBM50063508
PNG
(CHEMBL3398500)
Show SMILES Cc1ccsc1C(=CCCN1CCC[C@@H]1[C@@H](O)C(O)=O)c1sccc1C
Show InChI InChI=1/C20H25NO3S2/c1-13-7-11-25-18(13)15(19-14(2)8-12-26-19)5-3-9-21-10-4-6-16(21)17(22)20(23)24/h5,7-8,11-12,16-17,22H,3-4,6,9-10H2,1-2H3,(H,23,24)/t16-,17-/s2
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1.10E+3n/an/an/an/an/an/an/an/a



Ludwig-Maximilians-Universit£t M£nchen

Curated by ChEMBL


Assay Description
Binding affinity to human GAT1 expressed in HEK293 cells using NO71156 as unlabelled marker by LC-ESI-MS-MS based competitive MS binding assay


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens)
BDBM50417656
PNG
(CHEMBL1642366)
Show SMILES OC(=O)[C@@H]1CCCN(CC\C=C(/c2ccccc2)c2ccccc2C(F)(F)F)C1
Show InChI InChI=1S/C23H24F3NO2/c24-23(25,26)21-13-5-4-11-20(21)19(17-8-2-1-3-9-17)12-7-15-27-14-6-10-18(16-27)22(28)29/h1-5,8-9,11-13,18H,6-7,10,14-16H2,(H,28,29)/b19-12+/t18-/m1/s1
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1.91E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens)
BDBM50417644
PNG
(CHEMBL1642404)
Show SMILES CC(=O)[C@@H]1CC[C@H]2CC[C@@H]1N2CCC=C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H29NO/c1-19(27)23-16-14-22-15-17-25(23)26(22)18-8-13-24(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-13,22-23,25H,8,14-18H2,1H3/t22-,23-,25-/m0/s1
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2.75E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens)
BDBM50063511
PNG
(CHEMBL3398498)
Show SMILES O[C@H]([C@H]1CCCN1CCC=C(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1/C22H25NO3/c24-21(22(25)26)20-14-8-16-23(20)15-7-13-19(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-13,20-21,24H,7-8,14-16H2,(H,25,26)/t20-,21-/s2
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3.98E+3n/an/an/an/an/an/an/an/a



Ludwig-Maximilians-Universit£t M£nchen

Curated by ChEMBL


Assay Description
Binding affinity to human GAT1 expressed in HEK293 cells using NO71156 as unlabelled marker by LC-ESI-MS-MS based competitive MS binding assay


Citation and Details
More data for this
Ligand-Target Pair
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