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Compile Data Set for Download or QSAR

Found 451 hits Enz. Inhib. hit(s) with Target = 'GABA transporter' AND taxid = 10116   
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


(Rattus norvegicus)
BDBM50080382
PNG
((R)-1-{2-[(Z)-2-(2-Chloro-phenyl)-2-o-tolyl-vinylo...)
Show SMILES Cc1ccccc1\C(=C\OCCN1CCC[C@H](C1)C(O)=O)c1ccccc1Cl
Show InChI InChI=1S/C23H26ClNO3/c1-17-7-2-3-9-19(17)21(20-10-4-5-11-22(20)24)16-28-14-13-25-12-6-8-18(15-25)23(26)27/h2-5,7,9-11,16,18H,6,8,12-15H2,1H3,(H,26,27)/b21-16-/t18-/m1/s1
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12n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


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


(Rattus norvegicus)
BDBM50080358
PNG
(1-{2-[2,2-Bis-(2-chloro-phenyl)-vinyloxy]-ethyl}-1...)
Show SMILES OC(=O)C1=CCCN(CCOC=C(c2ccccc2Cl)c2ccccc2Cl)C1
Show InChI InChI=1S/C22H21Cl2NO3/c23-20-9-3-1-7-17(20)19(18-8-2-4-10-21(18)24)15-28-13-12-25-11-5-6-16(14-25)22(26)27/h1-4,6-10,15H,5,11-14H2,(H,26,27)
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12n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


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


(Rattus norvegicus)
BDBM50080367
PNG
((R)-1-{2-[(Z)-2-(2-Chloro-phenyl)-2-phenyl-vinylox...)
Show SMILES OC(=O)[C@@H]1CCCN(CCO\C=C(\c2ccccc2)c2ccccc2Cl)C1
Show InChI InChI=1S/C22H24ClNO3/c23-21-11-5-4-10-19(21)20(17-7-2-1-3-8-17)16-27-14-13-24-12-6-9-18(15-24)22(25)26/h1-5,7-8,10-11,16,18H,6,9,12-15H2,(H,25,26)/b20-16-/t18-/m1/s1
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12n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


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


(Rattus norvegicus)
BDBM50080337
PNG
((R)-1-{2-[2,2-Bis-(3-methyl-thiophen-2-yl)-vinylox...)
Show SMILES Cc1ccsc1C(=COCCN1CCC[C@H](C1)C(O)=O)c1sccc1C
Show InChI InChI=1S/C20H25NO3S2/c1-14-5-10-25-18(14)17(19-15(2)6-11-26-19)13-24-9-8-21-7-3-4-16(12-21)20(22)23/h5-6,10-11,13,16H,3-4,7-9,12H2,1-2H3,(H,22,23)/t16-/m1/s1
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14n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


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


(Rattus norvegicus)
BDBM50080376
PNG
((R)-1-{2-[(E)-2-(3-Methyl-thiophen-2-yl)-2-o-tolyl...)
Show SMILES Cc1ccsc1\C(=C\OCCN1CCC[C@H](C1)C(O)=O)c1ccccc1C
Show InChI InChI=1S/C22H27NO3S/c1-16-6-3-4-8-19(16)20(21-17(2)9-13-27-21)15-26-12-11-23-10-5-7-18(14-23)22(24)25/h3-4,6,8-9,13,15,18H,5,7,10-12,14H2,1-2H3,(H,24,25)/b20-15+/t18-/m1/s1
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17n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


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


(Rattus norvegicus)
BDBM50080335
PNG
((R)-1-[2-(2,2-Di-o-tolyl-vinyloxy)-ethyl]-piperidi...)
Show SMILES Cc1ccccc1C(=COCCN1CCC[C@H](C1)C(O)=O)c1ccccc1C
Show InChI InChI=1S/C24H29NO3/c1-18-8-3-5-11-21(18)23(22-12-6-4-9-19(22)2)17-28-15-14-25-13-7-10-20(16-25)24(26)27/h3-6,8-9,11-12,17,20H,7,10,13-16H2,1-2H3,(H,26,27)/t20-/m1/s1
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19n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


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


(Rattus norvegicus)
BDBM50080327
PNG
(1-{2-[(Z)-2-(2-Fluoro-phenyl)-2-o-tolyl-vinyloxy]-...)
Show SMILES Cc1ccccc1\C(=C\OCCN1CCC=C(C1)C(O)=O)c1ccccc1F
Show InChI InChI=1S/C23H24FNO3/c1-17-7-2-3-9-19(17)21(20-10-4-5-11-22(20)24)16-28-14-13-25-12-6-8-18(15-25)23(26)27/h2-5,7-11,16H,6,12-15H2,1H3,(H,26,27)/b21-16-
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19n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


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


(Rattus norvegicus)
BDBM50080375
PNG
((R)-1-[2-((E)-2-Phenyl-2-o-tolyl-vinyloxy)-ethyl]-...)
Show SMILES Cc1ccccc1\C(=C\OCCN1CCC[C@H](C1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C23H27NO3/c1-18-8-5-6-12-21(18)22(19-9-3-2-4-10-19)17-27-15-14-24-13-7-11-20(16-24)23(25)26/h2-6,8-10,12,17,20H,7,11,13-16H2,1H3,(H,25,26)/b22-17+/t20-/m1/s1
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21n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


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


(Rattus norvegicus)
BDBM50080368
PNG
(1-[2-(2,2-Di-o-tolyl-vinyloxy)-ethyl]-1,2,5,6-tetr...)
Show SMILES Cc1ccccc1C(=COCCN1CCC=C(C1)C(O)=O)c1ccccc1C
Show InChI InChI=1S/C24H27NO3/c1-18-8-3-5-11-21(18)23(22-12-6-4-9-19(22)2)17-28-15-14-25-13-7-10-20(16-25)24(26)27/h3-6,8-12,17H,7,13-16H2,1-2H3,(H,26,27)
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26n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


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


(Rattus norvegicus)
BDBM50080388
PNG
((R)-1-{2-[(E)-2-(3-Fluoro-phenyl)-2-o-tolyl-vinylo...)
Show SMILES Cc1ccccc1\C(=C\OCCN1CCC[C@H](C1)C(O)=O)c1cccc(F)c1
Show InChI InChI=1S/C23H26FNO3/c1-17-6-2-3-10-21(17)22(18-7-4-9-20(24)14-18)16-28-13-12-25-11-5-8-19(15-25)23(26)27/h2-4,6-7,9-10,14,16,19H,5,8,11-13,15H2,1H3,(H,26,27)/b22-16+/t19-/m1/s1
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28n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


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


(Rattus norvegicus)
BDBM50080331
PNG
((R)-1-{2-[(Z)-2-(4-Fluoro-2-methyl-phenyl)-2-o-tol...)
Show SMILES Cc1ccccc1\C(=C\OCCN1CCC[C@H](C1)C(O)=O)c1ccc(F)cc1C
Show InChI InChI=1S/C24H28FNO3/c1-17-6-3-4-8-21(17)23(22-10-9-20(25)14-18(22)2)16-29-13-12-26-11-5-7-19(15-26)24(27)28/h3-4,6,8-10,14,16,19H,5,7,11-13,15H2,1-2H3,(H,27,28)/b23-16-/t19-/m1/s1
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30n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


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


(Rattus norvegicus)
BDBM50080355
PNG
((R)-1-{2-[2,2-Bis-(2-ethyl-phenyl)-vinyloxy]-ethyl...)
Show SMILES CCc1ccccc1C(=COCCN1CCC[C@H](C1)C(O)=O)c1ccccc1CC
Show InChI InChI=1S/C26H33NO3/c1-3-20-10-5-7-13-23(20)25(24-14-8-6-11-21(24)4-2)19-30-17-16-27-15-9-12-22(18-27)26(28)29/h5-8,10-11,13-14,19,22H,3-4,9,12,15-18H2,1-2H3,(H,28,29)/t22-/m1/s1
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32n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


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


(Rattus norvegicus)
BDBM50080365
PNG
((R)-1-{2-[1-(2,4-Dichloro-phenyl)-1-(3-methyl-thio...)
Show SMILES Cc1ccsc1\C(=N\OCCN1CCC[C@H](C1)C(O)=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C20H22Cl2N2O3S/c1-13-6-10-28-19(13)18(16-5-4-15(21)11-17(16)22)23-27-9-8-24-7-2-3-14(12-24)20(25)26/h4-6,10-11,14H,2-3,7-9,12H2,1H3,(H,25,26)/b23-18+/t14-/m1/s1
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32n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


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


(Rattus norvegicus)
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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37n/an/an/an/an/an/an/an/a



Ludwig-Maximilians-Universit£t M£nchen

Curated by ChEMBL


Assay Description
Binding affinity to mouse 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


(Rattus norvegicus)
BDBM50080328
PNG
((R)-1-{2-[Bis-(2-chloro-phenyl)-methyleneaminooxy]...)
Show SMILES OC(=O)[C@@H]1CCCN(CCON=C(c2ccccc2Cl)c2ccccc2Cl)C1
Show InChI InChI=1S/C21H22Cl2N2O3/c22-18-9-3-1-7-16(18)20(17-8-2-4-10-19(17)23)24-28-13-12-25-11-5-6-15(14-25)21(26)27/h1-4,7-10,15H,5-6,11-14H2,(H,26,27)/t15-/m1/s1
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39n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


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


(Rattus norvegicus)
BDBM50080369
PNG
((S)-1-{2-[Bis-(3-methyl-thiophen-2-yl)-methyleneam...)
Show SMILES Cc1ccsc1C(=NOCCN1CCC[C@@H](C1)C(O)=O)c1sccc1C
Show InChI InChI=1S/C19H24N2O3S2/c1-13-5-10-25-17(13)16(18-14(2)6-11-26-18)20-24-9-8-21-7-3-4-15(12-21)19(22)23/h5-6,10-11,15H,3-4,7-9,12H2,1-2H3,(H,22,23)/t15-/m0/s1
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41n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


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


(Rattus norvegicus)
BDBM50080373
PNG
((R)-1-{2-[1-(2-Fluoro-phenyl)-1-o-tolyl-meth-(Z)-y...)
Show SMILES Cc1ccccc1\C(=N\OCCN1CCC[C@H](C1)C(O)=O)c1ccccc1F
Show InChI InChI=1S/C22H25FN2O3/c1-16-7-2-3-9-18(16)21(19-10-4-5-11-20(19)23)24-28-14-13-25-12-6-8-17(15-25)22(26)27/h2-5,7,9-11,17H,6,8,12-15H2,1H3,(H,26,27)/b24-21-/t17-/m1/s1
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41n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


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


(Rattus norvegicus)
BDBM50080344
PNG
(1-(2-Benzhydrylideneaminooxy-ethyl)-1,2,5,6-tetrah...)
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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47n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


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


(Rattus norvegicus)
BDBM50080359
PNG
(1-{2-[2,2-Bis-(2-ethyl-phenyl)-vinyloxy]-ethyl}-1,...)
Show SMILES CCc1ccccc1C(=COCCN1CCC=C(C1)C(O)=O)c1ccccc1CC
Show InChI InChI=1S/C26H31NO3/c1-3-20-10-5-7-13-23(20)25(24-14-8-6-11-21(24)4-2)19-30-17-16-27-15-9-12-22(18-27)26(28)29/h5-8,10-14,19H,3-4,9,15-18H2,1-2H3,(H,28,29)
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47n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


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


(Rattus norvegicus)
BDBM50080370
PNG
((R)-1-{2-[(Z)-2-(3-Fluoro-phenyl)-2-o-tolyl-vinylo...)
Show SMILES Cc1ccccc1\C(=C/OCCN1CCC[C@H](C1)C(O)=O)c1cccc(F)c1
Show InChI InChI=1S/C23H26FNO3/c1-17-6-2-3-10-21(17)22(18-7-4-9-20(24)14-18)16-28-13-12-25-11-5-8-19(15-25)23(26)27/h2-4,6-7,9-10,14,16,19H,5,8,11-13,15H2,1H3,(H,26,27)/b22-16-/t19-/m1/s1
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48n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


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


(Rattus norvegicus)
BDBM50080323
PNG
((R)-1-[2-((Z)-2-Phenyl-2-o-tolyl-vinyloxy)-ethyl]-...)
Show SMILES Cc1ccccc1\C(=C/OCCN1CCC[C@H](C1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C23H27NO3/c1-18-8-5-6-12-21(18)22(19-9-3-2-4-10-19)17-27-15-14-24-13-7-11-20(16-24)23(25)26/h2-6,8-10,12,17,20H,7,11,13-16H2,1H3,(H,25,26)/b22-17-/t20-/m1/s1
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49n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


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


(Rattus norvegicus)
BDBM50080333
PNG
((R)-1-{2-[(E)-2-(2,4-Difluoro-phenyl)-2-(2,5-diflu...)
Show SMILES OC(=O)[C@@H]1CCCN(CCO\C=C(/c2ccc(F)cc2F)c2cc(F)ccc2F)C1
Show InChI InChI=1S/C22H21F4NO3/c23-15-4-6-20(25)18(10-15)19(17-5-3-16(24)11-21(17)26)13-30-9-8-27-7-1-2-14(12-27)22(28)29/h3-6,10-11,13-14H,1-2,7-9,12H2,(H,28,29)/b19-13+/t14-/m1/s1
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51n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


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


(Rattus norvegicus)
BDBM50080336
PNG
((R)-1-{2-[2,2-Bis-(2-chloro-phenyl)-vinyloxy]-ethy...)
Show SMILES OC(=O)[C@@H]1CCCN(CCOC=C(c2ccccc2Cl)c2ccccc2Cl)C1
Show InChI InChI=1S/C22H23Cl2NO3/c23-20-9-3-1-7-17(20)19(18-8-2-4-10-21(18)24)15-28-13-12-25-11-5-6-16(14-25)22(26)27/h1-4,7-10,15-16H,5-6,11-14H2,(H,26,27)/t16-/m1/s1
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52n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


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


(Rattus norvegicus)
BDBM50080340
PNG
((R)-1-{2-[(2,4-Difluoro-phenyl)-(2,5-difluoro-phen...)
Show SMILES OC(=O)[C@@H]1CCCN(CCO\N=C(\c2ccc(F)cc2F)c2cc(F)ccc2F)C1
Show InChI InChI=1S/C21H20F4N2O3/c22-14-4-6-18(24)17(10-14)20(16-5-3-15(23)11-19(16)25)26-30-9-8-27-7-1-2-13(12-27)21(28)29/h3-6,10-11,13H,1-2,7-9,12H2,(H,28,29)/b26-20-/t13-/m1/s1
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52n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


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


(Rattus norvegicus)
BDBM50080330
PNG
((R)-1-{2-[(E)-2-(2-Chloro-phenyl)-2-phenyl-vinylox...)
Show SMILES OC(=O)[C@@H]1CCCN(CCO\C=C(/c2ccccc2)c2ccccc2Cl)C1
Show InChI InChI=1S/C22H24ClNO3/c23-21-11-5-4-10-19(21)20(17-7-2-1-3-8-17)16-27-14-13-24-12-6-9-18(15-24)22(25)26/h1-5,7-8,10-11,16,18H,6,9,12-15H2,(H,25,26)/b20-16+/t18-/m1/s1
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52n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


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


(Rattus norvegicus)
BDBM50080324
PNG
(1-(2-Di-o-tolylmethyleneaminooxy-ethyl)-1,2,5,6-te...)
Show SMILES Cc1ccccc1C(=NOCCN1CCC=C(C1)C(O)=O)c1ccccc1C
Show InChI InChI=1S/C23H26N2O3/c1-17-8-3-5-11-20(17)22(21-12-6-4-9-18(21)2)24-28-15-14-25-13-7-10-19(16-25)23(26)27/h3-6,8-12H,7,13-16H2,1-2H3,(H,26,27)
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55n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


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


(Rattus norvegicus)
BDBM50080387
PNG
((R)-1-{2-[1-(1-Methyl-1H-pyrrol-2-yl)-1-phenyl-met...)
Show SMILES Cn1cccc1\C(=N\OCCN1CCC[C@H](C1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C20H25N3O3/c1-22-11-6-10-18(22)19(16-7-3-2-4-8-16)21-26-14-13-23-12-5-9-17(15-23)20(24)25/h2-4,6-8,10-11,17H,5,9,12-15H2,1H3,(H,24,25)/b21-19+/t17-/m1/s1
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59n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


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


(Rattus norvegicus)
BDBM50080374
PNG
((R)-1-{2-[2,2-Bis-(4-fluoro-2-methyl-phenyl)-vinyl...)
Show SMILES Cc1cc(F)ccc1C(=COCCN1CCC[C@H](C1)C(O)=O)c1ccc(F)cc1C
Show InChI InChI=1S/C24H27F2NO3/c1-16-12-19(25)5-7-21(16)23(22-8-6-20(26)13-17(22)2)15-30-11-10-27-9-3-4-18(14-27)24(28)29/h5-8,12-13,15,18H,3-4,9-11,14H2,1-2H3,(H,28,29)/t18-/m1/s1
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61n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


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


(Rattus norvegicus)
BDBM50080341
PNG
(1-{2-[(Z)-2-(3-Chloro-phenyl)-2-o-tolyl-vinyloxy]-...)
Show SMILES Cc1ccccc1\C(=C/OCCN1CCC=C(C1)C(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H24ClNO3/c1-17-6-2-3-10-21(17)22(18-7-4-9-20(24)14-18)16-28-13-12-25-11-5-8-19(15-25)23(26)27/h2-4,6-10,14,16H,5,11-13,15H2,1H3,(H,26,27)/b22-16-
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64n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


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


(Rattus norvegicus)
BDBM50080381
PNG
((R)-1-{2-[2,2-Bis-(2-chloro-4-fluoro-phenyl)-vinyl...)
Show SMILES OC(=O)[C@@H]1CCCN(CCOC=C(c2ccc(F)cc2Cl)c2ccc(F)cc2Cl)C1
Show InChI InChI=1S/C22H21Cl2F2NO3/c23-20-10-15(25)3-5-17(20)19(18-6-4-16(26)11-21(18)24)13-30-9-8-27-7-1-2-14(12-27)22(28)29/h3-6,10-11,13-14H,1-2,7-9,12H2,(H,28,29)/t14-/m1/s1
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66n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


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


(Rattus norvegicus)
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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67n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


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


(Rattus norvegicus)
BDBM50080354
PNG
((R)-1-{2-[1-(3-Methyl-thiophen-2-yl)-1-o-tolyl-met...)
Show SMILES Cc1ccsc1\C(=N/OCCN1CCC[C@H](C1)C(O)=O)c1ccccc1C
Show InChI InChI=1S/C21H26N2O3S/c1-15-6-3-4-8-18(15)19(20-16(2)9-13-27-20)22-26-12-11-23-10-5-7-17(14-23)21(24)25/h3-4,6,8-9,13,17H,5,7,10-12,14H2,1-2H3,(H,24,25)/b22-19-/t17-/m1/s1
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70n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


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


(Rattus norvegicus)
BDBM50080364
PNG
((R)-1-(2-Di-o-tolylmethyleneaminooxy-ethyl)-piperi...)
Show SMILES Cc1ccccc1C(=NOCCN1CCC[C@H](C1)C(O)=O)c1ccccc1C
Show InChI InChI=1S/C23H28N2O3/c1-17-8-3-5-11-20(17)22(21-12-6-4-9-18(21)2)24-28-15-14-25-13-7-10-19(16-25)23(26)27/h3-6,8-9,11-12,19H,7,10,13-16H2,1-2H3,(H,26,27)/t19-/m1/s1
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71n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


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


(Rattus norvegicus)
BDBM50080334
PNG
((R)-1-{2-[1-(3-Methyl-thiophen-2-yl)-1-thiophen-2-...)
Show SMILES Cc1ccsc1\C(=N/OCCN1CCC[C@H](C1)C(O)=O)c1cccs1
Show InChI InChI=1S/C18H22N2O3S2/c1-13-6-11-25-17(13)16(15-5-3-10-24-15)19-23-9-8-20-7-2-4-14(12-20)18(21)22/h3,5-6,10-11,14H,2,4,7-9,12H2,1H3,(H,21,22)/b19-16-/t14-/m1/s1
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74n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


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


(Rattus norvegicus)
BDBM50080380
PNG
(1-{2-[2,2-Bis-(4-fluoro-2-methyl-phenyl)-vinyloxy]...)
Show SMILES Cc1cc(F)ccc1C(=COCCN1CCC=C(C1)C(O)=O)c1ccc(F)cc1C
Show InChI InChI=1S/C24H25F2NO3/c1-16-12-19(25)5-7-21(16)23(22-8-6-20(26)13-17(22)2)15-30-11-10-27-9-3-4-18(14-27)24(28)29/h4-8,12-13,15H,3,9-11,14H2,1-2H3,(H,28,29)
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79n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


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


(Rattus norvegicus)
BDBM50080346
PNG
((R)-1-(2-Benzhydrylideneaminooxy-ethyl)-piperidine...)
Show SMILES OC(=O)[C@@H]1CCCN(CCON=C(c2ccccc2)c2ccccc2)C1
Show InChI InChI=1S/C21H24N2O3/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/h1-6,8-11,19H,7,12-16H2,(H,24,25)/t19-/m1/s1
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81n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


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


(Rattus norvegicus)
BDBM50080369
PNG
((S)-1-{2-[Bis-(3-methyl-thiophen-2-yl)-methyleneam...)
Show SMILES Cc1ccsc1C(=NOCCN1CCC[C@@H](C1)C(O)=O)c1sccc1C
Show InChI InChI=1S/C19H24N2O3S2/c1-13-5-10-25-17(13)16(18-14(2)6-11-26-18)20-24-9-8-21-7-3-4-15(12-21)19(22)23/h5-6,10-11,15H,3-4,7-9,12H2,1-2H3,(H,22,23)/t15-/m0/s1
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82n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


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


(Rattus norvegicus)
BDBM50080332
PNG
((R)-1-{2-[(E)-2-(3-Methoxy-phenyl)-2-o-tolyl-vinyl...)
Show SMILES COc1cccc(c1)C(=C/OCCN1CCC[C@H](C1)C(O)=O)\c1ccccc1C
Show InChI InChI=1S/C24H29NO4/c1-18-7-3-4-11-22(18)23(19-8-5-10-21(15-19)28-2)17-29-14-13-25-12-6-9-20(16-25)24(26)27/h3-5,7-8,10-11,15,17,20H,6,9,12-14,16H2,1-2H3,(H,26,27)/b23-17+/t20-/m1/s1
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83n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


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


(Rattus norvegicus)
BDBM50080350
PNG
((S)-1-{2-[1-(3-Methyl-thiophen-2-yl)-1-o-tolyl-met...)
Show SMILES Cc1ccsc1\C(=N\OCCN1CCC[C@@H](C1)C(O)=O)c1ccccc1C
Show InChI InChI=1S/C21H26N2O3S/c1-15-6-3-4-8-18(15)19(20-16(2)9-13-27-20)22-26-12-11-23-10-5-7-17(14-23)21(24)25/h3-4,6,8-9,13,17H,5,7,10-12,14H2,1-2H3,(H,24,25)/b22-19+/t17-/m0/s1
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83n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


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


(Rattus norvegicus)
BDBM50080379
PNG
((R)-1-[2-(2,2-Diphenyl-vinyloxy)-ethyl]-piperidine...)
Show SMILES OC(=O)[C@@H]1CCCN(CCOC=C(c2ccccc2)c2ccccc2)C1
Show InChI InChI=1S/C22H25NO3/c24-22(25)20-12-7-13-23(16-20)14-15-26-17-21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,17,20H,7,12-16H2,(H,24,25)/t20-/m1/s1
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86n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


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


(Rattus norvegicus)
BDBM50080353
PNG
((R)-1-{2-[Bis-(3-ethyl-thiophen-2-yl)-methyleneami...)
Show SMILES CCc1ccsc1C(=NOCCN1CCC[C@H](C1)C(O)=O)c1sccc1CC
Show InChI InChI=1S/C21H28N2O3S2/c1-3-15-7-12-27-19(15)18(20-16(4-2)8-13-28-20)22-26-11-10-23-9-5-6-17(14-23)21(24)25/h7-8,12-13,17H,3-6,9-11,14H2,1-2H3,(H,24,25)/t17-/m1/s1
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87n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


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


(Rattus norvegicus)
BDBM50080384
PNG
((R)-1-{2-[1-(3-Methoxy-phenyl)-1-(3-methyl-thiophe...)
Show SMILES COc1cccc(c1)C(=N/OCCN1CCC[C@H](C1)C(O)=O)\c1sccc1C
Show InChI InChI=1S/C21H26N2O4S/c1-15-8-12-28-20(15)19(16-5-3-7-18(13-16)26-2)22-27-11-10-23-9-4-6-17(14-23)21(24)25/h3,5,7-8,12-13,17H,4,6,9-11,14H2,1-2H3,(H,24,25)/b22-19+/t17-/m1/s1
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87n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


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


(Rattus norvegicus)
BDBM50080354
PNG
((R)-1-{2-[1-(3-Methyl-thiophen-2-yl)-1-o-tolyl-met...)
Show SMILES Cc1ccsc1\C(=N/OCCN1CCC[C@H](C1)C(O)=O)c1ccccc1C
Show InChI InChI=1S/C21H26N2O3S/c1-15-6-3-4-8-18(15)19(20-16(2)9-13-27-20)22-26-12-11-23-10-5-7-17(14-23)21(24)25/h3-4,6,8-9,13,17H,5,7,10-12,14H2,1-2H3,(H,24,25)/b22-19-/t17-/m1/s1
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88n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


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


(Rattus norvegicus)
BDBM50080363
PNG
((R)-1-{2-[1-(4-Chloro-2-methyl-phenyl)-1-(3-methyl...)
Show SMILES Cc1ccsc1\C(=N\OCCN1CCC[C@H](C1)C(O)=O)c1ccc(Cl)cc1C
Show InChI InChI=1S/C21H25ClN2O3S/c1-14-7-11-28-20(14)19(18-6-5-17(22)12-15(18)2)23-27-10-9-24-8-3-4-16(13-24)21(25)26/h5-7,11-12,16H,3-4,8-10,13H2,1-2H3,(H,25,26)/b23-19+/t16-/m1/s1
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90n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


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


(Rattus norvegicus)
BDBM50080338
PNG
((S)-1-{2-[1-(3-Chloro-phenyl)-1-o-tolyl-meth-(E)-y...)
Show SMILES Cc1ccccc1\C(=N\OCCN1CCC[C@@H](C1)C(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C22H25ClN2O3/c1-16-6-2-3-10-20(16)21(17-7-4-9-19(23)14-17)24-28-13-12-25-11-5-8-18(15-25)22(26)27/h2-4,6-7,9-10,14,18H,5,8,11-13,15H2,1H3,(H,26,27)/b24-21+/t18-/m0/s1
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93n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


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


(Rattus norvegicus)
BDBM50080357
PNG
((R)-1-{2-[Bis-(2-chloro-4-fluoro-phenyl)-methylene...)
Show SMILES OC(=O)[C@@H]1CCCN(CCON=C(c2ccc(F)cc2Cl)c2ccc(F)cc2Cl)C1
Show InChI InChI=1S/C21H20Cl2F2N2O3/c22-18-10-14(24)3-5-16(18)20(17-6-4-15(25)11-19(17)23)26-30-9-8-27-7-1-2-13(12-27)21(28)29/h3-6,10-11,13H,1-2,7-9,12H2,(H,28,29)/t13-/m1/s1
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100n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


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


(Rattus norvegicus)
BDBM50080347
PNG
((R)-1-(5,5-Diphenyl-pent-4-enyl)-piperidine-3-carb...)
Show SMILES OC(=O)[C@@H]1CCCN(CCCC=C(c2ccccc2)c2ccccc2)C1
Show InChI InChI=1S/C23H27NO2/c25-23(26)21-14-9-17-24(18-21)16-8-7-15-22(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-6,10-13,15,21H,7-9,14,16-18H2,(H,25,26)/t21-/m1/s1
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>100n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


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


(Rattus norvegicus)
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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102n/an/an/an/an/an/an/an/a



Ludwig-Maximilians-Universit£t M£nchen

Curated by ChEMBL


Assay Description
Binding affinity to mouse 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


(Rattus norvegicus)
BDBM50080362
PNG
((R)-1-{2-[Bis-(2,4-difluoro-phenyl)-methyleneamino...)
Show SMILES OC(=O)[C@@H]1CCCN(CCON=C(c2ccc(F)cc2F)c2ccc(F)cc2F)C1
Show InChI InChI=1S/C21H20F4N2O3/c22-14-3-5-16(18(24)10-14)20(17-6-4-15(23)11-19(17)25)26-30-9-8-27-7-1-2-13(12-27)21(28)29/h3-6,10-11,13H,1-2,7-9,12H2,(H,28,29)/t13-/m1/s1
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103n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


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


(Rattus norvegicus)
BDBM50080366
PNG
((S)-1-(2-Di-o-tolylmethyleneaminooxy-ethyl)-piperi...)
Show SMILES Cc1ccccc1C(=NOCCN1CCC[C@@H](C1)C(O)=O)c1ccccc1C
Show InChI InChI=1S/C23H28N2O3/c1-17-8-3-5-11-20(17)22(21-12-6-4-9-18(21)2)24-28-15-14-25-13-7-10-19(16-25)23(26)27/h3-6,8-9,11-12,19H,7,10,13-16H2,1-2H3,(H,26,27)/t19-/m0/s1
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126n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


Citation and Details
More data for this
Ligand-Target Pair
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