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Compile Data Set for Download or QSAR

Found 733 hits of ic50 for UniProtKB: P23978   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50563999
PNG
(CHEMBL4595698)
Show SMILES OC(=O)C1=CCCN(CCO\N=C\c2ccccc2-c2ccc(Cl)cc2Cl)C1 |t:3|
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n/an/a 5.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of [3H]NO711 binding to mouse GAT1 expressed in human HEK293 cell line by MS binding assay

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113512
BindingDB Entry DOI: 10.7270/Q2R21568
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50563999
PNG
(CHEMBL4595698)
Show SMILES OC(=O)C1=CCCN(CCO\N=C\c2ccccc2-c2ccc(Cl)cc2Cl)C1 |t:3|
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n/an/a 5.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse GAT1 expressed in HEK293 cell line assessed as inhibition of [3H]GABA uptake measured after 35 mins by liquid scintillation metho...

Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50526262
PNG
(CHEMBL4439989)
Show SMILES Cl.OC(=O)C1=CCCN(CCO\N=C\c2ccccc2-c2ccc(Cl)cc2Cl)C1 |t:3|
Show InChI InChI=1S/C21H20Cl2N2O3/c22-17-7-8-19(20(23)12-17)18-6-2-1-4-15(18)13-24-28-11-10-25-9-3-5-16(14-25)21(26)27/h1-2,4-8,12-13H,3,9-11,14H2,(H,26,27)/b24-13+
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n/an/a 5.40n/an/an/an/an/an/a



Ludwig-Maximilians-University M£nchen

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT-1 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition an...

Bioorg Med Chem 27: 1232-1245 (2019)


Article DOI: 10.1016/j.bmc.2019.02.015
BindingDB Entry DOI: 10.7270/Q2P272J5
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50563999
PNG
(CHEMBL4595698)
Show SMILES OC(=O)C1=CCCN(CCO\N=C\c2ccccc2-c2ccc(Cl)cc2Cl)C1 |t:3|
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n/an/a 5.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse GAT1 expressed in human HEK293 cell line assessed as inhibition of [3H]GABA uptake measured after 40 mins by LC-ESI-MS/MS analysi...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113512
BindingDB Entry DOI: 10.7270/Q2R21568
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		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 10n/an/an/an/an/an/a



Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECA

J Med Chem 48: 6887-96 (2005)


Article DOI: 10.1021/jm058018d
BindingDB Entry DOI: 10.7270/Q28C9X1X
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50080337
PNG
((R)-1-{2-[2,2-Bis-(3-methyl-thiophen-2-yl)-vinylox...)
Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#8]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6]
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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n/an/a 10n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of rat brain synaptosomes GAT1 assessed as inhibition of [3H]GABA uptake by liquid scintillation counting

J Med Chem 58: 2149-58 (2015)


Article DOI: 10.1021/jm5015428
BindingDB Entry DOI: 10.7270/Q2D50PNV
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50080337
PNG
((R)-1-{2-[2,2-Bis-(3-methyl-thiophen-2-yl)-vinylox...)
Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#8]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6]
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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n/an/a 14n/an/an/an/an/an/a



Ludwig-Maximilians-University Munich

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT1 expressed in HEK cells assessed as inhibition of [3H]-GABA uptake after 25 mins by liquid scintillation counting analysis

Bioorg Med Chem 21: 3363-78 (2013)


Article DOI: 10.1016/j.bmc.2013.02.056
BindingDB Entry DOI: 10.7270/Q23N269C
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50526257
PNG
(CHEMBL4555282)
Show SMILES Cl.OC(=O)C1CCCN(CCO\N=C\c2sccc2-c2ccc(Cl)cc2Cl)C1
Show InChI InChI=1S/C19H20Cl2N2O3S.ClH/c20-14-3-4-15(17(21)10-14)16-5-9-27-18(16)11-22-26-8-7-23-6-1-2-13(12-23)19(24)25;/h3-5,9-11,13H,1-2,6-8,12H2,(H,24,25);1H/b22-11+;
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n/an/a 28n/an/an/an/an/an/a



Ludwig-Maximilians-University M£nchen

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT-1 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition an...

Bioorg Med Chem 27: 1232-1245 (2019)


Article DOI: 10.1016/j.bmc.2019.02.015
BindingDB Entry DOI: 10.7270/Q2P272J5
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50526264
PNG
(CHEMBL4452694)
Show SMILES Cl.OC(=O)[C@@H]1CCCN(CCO\N=C\c2ccccc2-c2ccc(F)cc2Cl)C1 |r|
Show InChI InChI=1S/C21H22ClFN2O3.ClH/c22-20-12-17(23)7-8-19(20)18-6-2-1-4-15(18)13-24-28-11-10-25-9-3-5-16(14-25)21(26)27;/h1-2,4,6-8,12-13,16H,3,5,9-11,14H2,(H,26,27);1H/b24-13+;/t16-;/m1./s1
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n/an/a 32n/an/an/an/an/an/a



Ludwig-Maximilians-University M£nchen

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT-1 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition an...

Bioorg Med Chem 27: 1232-1245 (2019)


Article DOI: 10.1016/j.bmc.2019.02.015
BindingDB Entry DOI: 10.7270/Q2P272J5
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50591808
PNG
(CHEMBL5207397)
Show SMILES OC(=O)[C@@H]1CCCN(CC\C=C\c2ccccc2-c2ccc(Cl)cc2Cl)C1 |r|
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n/an/a 37n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114269
BindingDB Entry DOI: 10.7270/Q2JM2FM0
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50039251
PNG
((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...)
Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6] |r|
Show InChI InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1
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n/an/a 37n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of [3H]NO711 binding to mouse GAT1 expressed in human HEK293 cell line by MS binding assay

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113512
BindingDB Entry DOI: 10.7270/Q2R21568
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50526258
PNG
(CHEMBL4455995)
Show SMILES Cl.OC(=O)C1CCCN(CCO\N=C\c2ccccc2-c2ccc(Cl)cc2Cl)C1
Show InChI InChI=1S/C21H22Cl2N2O3.ClH/c22-17-7-8-19(20(23)12-17)18-6-2-1-4-15(18)13-24-28-11-10-25-9-3-5-16(14-25)21(26)27;/h1-2,4,6-8,12-13,16H,3,5,9-11,14H2,(H,26,27);1H/b24-13+;
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n/an/a 39n/an/an/an/an/an/a



Ludwig-Maximilians-University M£nchen

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT-1 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition an...

Bioorg Med Chem 27: 1232-1245 (2019)


Article DOI: 10.1016/j.bmc.2019.02.015
BindingDB Entry DOI: 10.7270/Q2P272J5
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50426075
PNG
(CHEMBL473104)
Show SMILES [#8]-[#6](=O)-[#6]-1=[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]\[#7]=[#6](\c2ccccc2)-c2ccccc2)-[#6]-1 |t:3|
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 M£nchen

Curated by ChEMBL


Assay Description
Inhibition of GAT-1 in rat brain homogenate assessed as decrease in [3H]GABA uptake preincubated for 8 mins followed by [3H]GABA addition and measure...

Bioorg Med Chem 27: 1232-1245 (2019)


Article DOI: 10.1016/j.bmc.2019.02.015
BindingDB Entry DOI: 10.7270/Q2P272J5
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50081889
PNG
(1-[2-(3,3-Diphenyl-propoxy)-ethyl]-1,2,5,6-tetrahy...)
Show SMILES OC(=O)C1=CCCN(CCOCCC(c2ccccc2)c2ccccc2)C1 |t:3|
Show InChI InChI=1S/C23H27NO3/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/h1-6,8-12,22H,7,13-18H2,(H,25,26)
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n/an/a 48n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake in rat synaptosomes

J Med Chem 42: 4281-91 (1999)


BindingDB Entry DOI: 10.7270/Q2X92C0D
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50591807
PNG
(CHEMBL5178760)
Show SMILES OC(=O)C1CCCN(CC\C=C\c2ccccc2-c2ccc(Cl)cc2Cl)C1
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n/an/a 52n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114269
BindingDB Entry DOI: 10.7270/Q2JM2FM0
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50081891
PNG
((R)-1-[2-(3,3-Diphenyl-propoxy)-ethyl]-piperidine-...)
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



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake in rat synaptosomes

J Med Chem 42: 4281-91 (1999)


BindingDB Entry DOI: 10.7270/Q2X92C0D
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50526265
PNG
(CHEMBL4520656)
Show SMILES Cl.OC(=O)C1=CCCN(CCO\N=C\c2ccccc2-c2ccc(F)cc2F)C1 |t:3|
Show InChI InChI=1S/C21H20F2N2O3/c22-17-7-8-19(20(23)12-17)18-6-2-1-4-15(18)13-24-28-11-10-25-9-3-5-16(14-25)21(26)27/h1-2,4-8,12-13H,3,9-11,14H2,(H,26,27)/b24-13+
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n/an/a 56n/an/an/an/an/an/a



Ludwig-Maximilians-University M£nchen

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT-1 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition an...

Bioorg Med Chem 27: 1232-1245 (2019)


Article DOI: 10.1016/j.bmc.2019.02.015
BindingDB Entry DOI: 10.7270/Q2P272J5
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50526261
PNG
(CHEMBL4565664)
Show SMILES Cl.OC(=O)[C@@H]1CCCN(CCO\N=C\c2ccccc2-c2ccc(Cl)cc2Cl)C1 |r|
Show InChI InChI=1S/C21H22Cl2N2O3.ClH/c22-17-7-8-19(20(23)12-17)18-6-2-1-4-15(18)13-24-28-11-10-25-9-3-5-16(14-25)21(26)27;/h1-2,4,6-8,12-13,16H,3,5,9-11,14H2,(H,26,27);1H/b24-13+;/t16-;/m1./s1
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n/an/a 60n/an/an/an/an/an/a



Ludwig-Maximilians-University M£nchen

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT-1 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition an...

Bioorg Med Chem 27: 1232-1245 (2019)


Article DOI: 10.1016/j.bmc.2019.02.015
BindingDB Entry DOI: 10.7270/Q2P272J5
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50426072
PNG
(CHEMBL1190520)
Show SMILES OC(=O)[C@@H]1CCCN(CCOCCC(c2ccccc2)c2ccccc2)C1 |r|
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 60n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of rat brain synaptosomes GAT1 assessed as inhibition of [3H]GABA uptake by liquid scintillation counting

J Med Chem 58: 2149-58 (2015)


Article DOI: 10.1021/jm5015428
BindingDB Entry DOI: 10.7270/Q2D50PNV
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50526259
PNG
(CHEMBL4565745)
Show SMILES Cl.OC(=O)C1CCCN(CCO\N=C\c2ccccc2-c2ccc(F)cc2Cl)C1
Show InChI InChI=1S/C21H22ClFN2O3.ClH/c22-20-12-17(23)7-8-19(20)18-6-2-1-4-15(18)13-24-28-11-10-25-9-3-5-16(14-25)21(26)27;/h1-2,4,6-8,12-13,16H,3,5,9-11,14H2,(H,26,27);1H/b24-13+;
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Ludwig-Maximilians-University M£nchen

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT-1 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition an...

Bioorg Med Chem 27: 1232-1245 (2019)


Article DOI: 10.1016/j.bmc.2019.02.015
BindingDB Entry DOI: 10.7270/Q2P272J5
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50368628
PNG
(ABT-569 | Abbott-70569 | Abbott-70569.1 | Gabitril...)
Show SMILES [#6]-c1ccsc1\[#6](=[#6]\[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6]
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 67n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake in rat synaptosomes

J Med Chem 42: 4281-91 (1999)


BindingDB Entry DOI: 10.7270/Q2X92C0D
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50039251
PNG
((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...)
Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6] |r|
Show InChI InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1
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n/an/a 70n/an/an/an/an/an/a



Ludwig-Maximilians-University M£nchen

Curated by ChEMBL


Assay Description
Inhibition of GAT-1 in rat brain homogenate assessed as decrease in [3H]GABA uptake preincubated for 8 mins followed by [3H]GABA addition and measure...

Bioorg Med Chem 27: 1232-1245 (2019)


Article DOI: 10.1016/j.bmc.2019.02.015
BindingDB Entry DOI: 10.7270/Q2P272J5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50039251
PNG
((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...)
Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6] |r|
Show InChI InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1
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n/an/a 70n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of rat brain synaptosomes GAT1 assessed as inhibition of [3H]GABA uptake by liquid scintillation counting

J Med Chem 58: 2149-58 (2015)


Article DOI: 10.1021/jm5015428
BindingDB Entry DOI: 10.7270/Q2D50PNV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50081895
PNG
((R)-1-[3-(3,3-Di-o-tolyl-allyloxy)-propyl]-piperid...)
Show SMILES [#6]-c1ccccc1\[#6](=[#6]\[#6]-[#8]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1ccccc1-[#6]
Show InChI InChI=1S/C26H33NO3/c1-20-9-3-5-12-23(20)25(24-13-6-4-10-21(24)2)14-18-30-17-8-16-27-15-7-11-22(19-27)26(28)29/h3-6,9-10,12-14,22H,7-8,11,15-19H2,1-2H3,(H,28,29)/t22-/m1/s1
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n/an/a 75n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake in rat synaptosomes

J Med Chem 42: 4281-91 (1999)


BindingDB Entry DOI: 10.7270/Q2X92C0D
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50426074
PNG
(CHEMBL2315957)
Show SMILES OC(=O)[C@@H]1CCCN(CCO\N=C(/Cc2ccccc2F)c2ccccc2F)C1 |r|
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 M£nchen

Curated by ChEMBL


Assay Description
Inhibition of GAT-1 in rat brain homogenate

Bioorg Med Chem 27: 1232-1245 (2019)


Article DOI: 10.1016/j.bmc.2019.02.015
BindingDB Entry DOI: 10.7270/Q2P272J5
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50080346
PNG
((R)-1-(2-Benzhydrylideneaminooxy-ethyl)-piperidine...)
Show SMILES [#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]\[#7]=[#6](/c2ccccc2)-c2ccccc2)-[#6]-1
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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n/an/a 80n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of rat brain synaptosomes GAT1 assessed as inhibition of [3H]GABA uptake by liquid scintillation counting

J Med Chem 58: 2149-58 (2015)


Article DOI: 10.1021/jm5015428
BindingDB Entry DOI: 10.7270/Q2D50PNV
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50526263
PNG
(CHEMBL4475547)
Show SMILES Cl.OC(=O)C1CCCN(CCO\N=C\c2ccccc2-c2ccc(F)cc2F)C1
Show InChI InChI=1S/C21H22F2N2O3.ClH/c22-17-7-8-19(20(23)12-17)18-6-2-1-4-15(18)13-24-28-11-10-25-9-3-5-16(14-25)21(26)27;/h1-2,4,6-8,12-13,16H,3,5,9-11,14H2,(H,26,27);1H/b24-13+;
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n/an/a 85n/an/an/an/an/an/a



Ludwig-Maximilians-University M£nchen

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT-1 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition an...

Bioorg Med Chem 27: 1232-1245 (2019)


Article DOI: 10.1016/j.bmc.2019.02.015
BindingDB Entry DOI: 10.7270/Q2P272J5
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50081892
PNG
((R)-1-[2-(3-Phenyl-3-o-tolyl-propoxy)-ethyl]-piper...)
Show SMILES Cc1ccccc1C(CCOCCN1CCC[C@H](C1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C24H31NO3/c1-19-8-5-6-12-22(19)23(20-9-3-2-4-10-20)13-16-28-17-15-25-14-7-11-21(18-25)24(26)27/h2-6,8-10,12,21,23H,7,11,13-18H2,1H3,(H,26,27)/t21-,23?/m1/s1
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n/an/a 86n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake in rat synaptosomes

J Med Chem 42: 4281-91 (1999)


BindingDB Entry DOI: 10.7270/Q2X92C0D
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50081888
PNG
((R)-1-[2-(2-Diphenylamino-ethoxy)-ethyl]-piperidin...)
Show SMILES OC(=O)[C@@H]1CCCN(CCOCCN(c2ccccc2)c2ccccc2)C1
Show InChI InChI=1S/C22H28N2O3/c25-22(26)19-8-7-13-23(18-19)14-16-27-17-15-24(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-6,9-12,19H,7-8,13-18H2,(H,25,26)/t19-/m1/s1
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n/an/a 90n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake in rat synaptosomes

J Med Chem 42: 4281-91 (1999)


BindingDB Entry DOI: 10.7270/Q2X92C0D
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50281157
PNG
(CHEMBL4167871)
Show SMILES OC(=O)[C@@H]1CCCN(CCC#Cc2ccc(cc2)\N=N\c2cccc3ccccc23)C1 |r|
Show InChI InChI=1S/C26H25N3O2/c30-26(31)22-10-6-18-29(19-22)17-4-3-7-20-13-15-23(16-14-20)27-28-25-12-5-9-21-8-1-2-11-24(21)25/h1-2,5,8-9,11-16,22H,4,6,10,17-19H2,(H,30,31)/b28-27+/t22-/m1/s1
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n/an/a 98n/an/an/an/an/an/a



Ludwig-Maximilians-University Munich

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT1 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition me...

J Med Chem 61: 6211-6235 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00629
BindingDB Entry DOI: 10.7270/Q2MW2KPX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50491721
PNG
(CHEMBL2387654)
Show SMILES OC(=O)[C@@H]1CCCN(CCOCCc2ccccc2Cc2ccccc2)C1 |r|
Show InChI InChI=1S/C23H29NO3/c25-23(26)22-11-6-13-24(18-22)14-16-27-15-12-20-9-4-5-10-21(20)17-19-7-2-1-3-8-19/h1-5,7-10,22H,6,11-18H2,(H,25,26)/t22-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Ludwig-Maximilians-University Munich

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT1 expressed in HEK cells assessed as inhibition of [3H]-GABA uptake after 25 mins by liquid scintillation counting analysis

Bioorg Med Chem 21: 3363-78 (2013)


Article DOI: 10.1016/j.bmc.2013.02.056
BindingDB Entry DOI: 10.7270/Q23N269C
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50280945
PNG
(CHEMBL4170661)
Show SMILES OC(=O)C1CCCN(CCC#Cc2ccccc2-c2ccccc2)C1
Show InChI InChI=1S/C22H23NO2/c24-22(25)20-13-8-16-23(17-20)15-7-6-12-19-11-4-5-14-21(19)18-9-2-1-3-10-18/h1-5,9-11,14,20H,7-8,13,15-17H2,(H,24,25)
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n/an/a 100n/an/an/an/an/an/a



Ludwig-Maximilians-University Munich

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT1 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake

J Med Chem 61: 6211-6235 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00629
BindingDB Entry DOI: 10.7270/Q2MW2KPX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50526260
PNG
(CHEMBL4554639)
Show SMILES Cl.OC(=O)[C@@H]1CCCN(CCO\N=C\c2ccccc2-c2ccc(F)cc2F)C1 |r|
Show InChI InChI=1S/C21H22F2N2O3.ClH/c22-17-7-8-19(20(23)12-17)18-6-2-1-4-15(18)13-24-28-11-10-25-9-3-5-16(14-25)21(26)27;/h1-2,4,6-8,12-13,16H,3,5,9-11,14H2,(H,26,27);1H/b24-13+;/t16-;/m1./s1
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n/an/a 102n/an/an/an/an/an/a



Ludwig-Maximilians-University M£nchen

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT-1 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition an...

Bioorg Med Chem 27: 1232-1245 (2019)


Article DOI: 10.1016/j.bmc.2019.02.015
BindingDB Entry DOI: 10.7270/Q2P272J5
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50080379
PNG
((R)-1-[2-(2,2-Diphenyl-vinyloxy)-ethyl]-piperidine...)
Show SMILES [#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]\[#6]=[#6](\c2ccccc2)-c2ccccc2)-[#6]-1
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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n/an/a 104n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake in rat synaptosomes

J Med Chem 42: 4281-91 (1999)


BindingDB Entry DOI: 10.7270/Q2X92C0D
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50081901
PNG
((R)-1-[2-(3,3-Di-o-tolyl-allyloxy)-ethyl]-piperidi...)
Show SMILES [#6]-c1ccccc1\[#6](=[#6]/[#6]-[#8]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1ccccc1-[#6]
Show InChI InChI=1S/C25H31NO3/c1-19-8-3-5-11-22(19)24(23-12-6-4-9-20(23)2)13-16-29-17-15-26-14-7-10-21(18-26)25(27)28/h3-6,8-9,11-13,21H,7,10,14-18H2,1-2H3,(H,27,28)/t21-/m1/s1
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n/an/a 114n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake in rat synaptosomes

J Med Chem 42: 4281-91 (1999)


BindingDB Entry DOI: 10.7270/Q2X92C0D
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50280956
PNG
(CHEMBL4173921)
Show SMILES OC(=O)C1CCCN(CCC#Cc2ccc(cc2)\N=N\c2cccc3ccccc23)C1
Show InChI InChI=1S/C26H25N3O2/c30-26(31)22-10-6-18-29(19-22)17-4-3-7-20-13-15-23(16-14-20)27-28-25-12-5-9-21-8-1-2-11-24(21)25/h1-2,5,8-9,11-16,22H,4,6,10,17-19H2,(H,30,31)/b28-27+
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n/an/a 126n/an/an/an/an/an/a



Ludwig-Maximilians-University Munich

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT1 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition me...

J Med Chem 61: 6211-6235 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00629
BindingDB Entry DOI: 10.7270/Q2MW2KPX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50039251
PNG
((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...)
Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6] |r|
Show InChI InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1
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n/an/a 132n/an/an/an/an/an/a



Ludwig-Maximilians-Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT1 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake

Bioorg Med Chem 26: 3668-3687 (2018)


Article DOI: 10.1016/j.bmc.2018.05.049
BindingDB Entry DOI: 10.7270/Q20004MB
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50039251
PNG
((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...)
Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6] |r|
Show InChI InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1
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n/an/a 132n/an/an/an/an/an/a



Ludwig-Maximilians-Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT1 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition mea...

Eur J Med Chem 124: 852-880 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.012
BindingDB Entry DOI: 10.7270/Q27M09XT
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50039251
PNG
((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...)
Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6] |r|
Show InChI InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1
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n/an/a 132n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114269
BindingDB Entry DOI: 10.7270/Q2JM2FM0
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50039251
PNG
((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...)
Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6] |r|
Show InChI InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1
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n/an/a 132n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse GAT1 expressed in human HEK293 cell line assessed as inhibition of [3H]GABA uptake measured after 40 mins by LC-ESI-MS/MS analysi...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113512
BindingDB Entry DOI: 10.7270/Q2R21568
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50039251
PNG
((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...)
Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6] |r|
Show InChI InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1
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n/an/a 132n/an/an/an/an/an/a



Ludwig-Maximilians-Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT1 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition an...

Bioorg Med Chem 27: 822-831 (2019)


Article DOI: 10.1016/j.bmc.2019.01.024
BindingDB Entry DOI: 10.7270/Q28K7DJR
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50039251
PNG
((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...)
Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6] |r|
Show InChI InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1
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n/an/a 132n/an/an/an/an/an/a



Ludwig-Maximilians-Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT1 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition an...

Bioorg Med Chem 27: 822-831 (2019)


Article DOI: 10.1016/j.bmc.2019.01.024
BindingDB Entry DOI: 10.7270/Q28K7DJR
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50039251
PNG
((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...)
Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6] |r|
Show InChI InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1
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n/an/a 132n/an/an/an/an/an/a



Ludwig Maximilians-Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT1 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition an...

Bioorg Med Chem 27: 2753-2763 (2019)


Article DOI: 10.1016/j.bmc.2019.05.001
BindingDB Entry DOI: 10.7270/Q2KD227R
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50039251
PNG
((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...)
Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6] |r|
Show InChI InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1
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n/an/a 132n/an/an/an/an/an/a



Ludwig-Maximilians-Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT1 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition an...

J Med Chem 61: 10310-10332 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01602
BindingDB Entry DOI: 10.7270/Q2NS0Z8M
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50039251
PNG
((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...)
Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6] |r|
Show InChI InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1
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n/an/a 132n/an/an/an/an/an/a



Ludwig-Maximilians-Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT1 expressed in HEK293 cells by [3H]GABA uptake assay

Bioorg Med Chem 23: 1284-306 (2015)


Article DOI: 10.1016/j.bmc.2015.01.035
BindingDB Entry DOI: 10.7270/Q2QR4ZTK
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50039251
PNG
((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...)
Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6] |r|
Show InChI InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1
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n/an/a 132n/an/an/an/an/an/a



Ludwig-Maximilians-University Munich

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT1 expressed in HEK cells assessed as inhibition of [3H]-GABA uptake after 25 mins by liquid scintillation counting analysis

Bioorg Med Chem 21: 3363-78 (2013)


Article DOI: 10.1016/j.bmc.2013.02.056
BindingDB Entry DOI: 10.7270/Q23N269C
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50039251
PNG
((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...)
Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6] |r|
Show InChI InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1
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n/an/a 132n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT1-mediated [3H]GABA uptake stably transfected in HEK293 cells

Bioorg Med Chem 21: 5154-67 (2013)


Article DOI: 10.1016/j.bmc.2013.06.038
BindingDB Entry DOI: 10.7270/Q208688J
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50039251
PNG
((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...)
Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6] |r|
Show InChI InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1
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n/an/a 132n/an/an/an/an/an/a



Ludwig-Maximilians-University Munich

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT1 assessed as reduction in GABA uptake

J Med Chem 61: 6211-6235 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00629
BindingDB Entry DOI: 10.7270/Q2MW2KPX
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50080346
PNG
((R)-1-(2-Benzhydrylideneaminooxy-ethyl)-piperidine...)
Show SMILES [#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]\[#7]=[#6](/c2ccccc2)-c2ccccc2)-[#6]-1
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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n/an/a 137n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake in rat synaptosomes

J Med Chem 42: 4281-91 (1999)


BindingDB Entry DOI: 10.7270/Q2X92C0D
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50426075
PNG
(CHEMBL473104)
Show SMILES [#8]-[#6](=O)-[#6]-1=[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]\[#7]=[#6](\c2ccccc2)-c2ccccc2)-[#6]-1 |t:3|
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 148n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse GAT1 expressed in HEK293 cell line assessed as inhibition of [3H]GABA uptake measured after 35 mins by liquid scintillation metho...

Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
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