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Compile Data Set for Download or QSAR

Found 49 hits of ic50 for UniProtKB: P31646   
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/GABA transporter 2/GABA transporter 3/betaine transporter


(Rattus norvegicus)		BDBM24183
PNG
(4-amino-n-[2,3-3H]butyric acid | 4-aminobutanoic a...)
Show SMILES NCCCC(O)=O
Show InChI InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
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n/an/a 2.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of high affinity neuronal GABA uptake by synaptosomes of rat brain membrane

J Med Chem 25: 1157-62 (1982)


BindingDB Entry DOI: 10.7270/Q2FF3VK7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1/GABA transporter 2/GABA transporter 3/betaine transporter


(Rattus norvegicus)		BDBM24183
PNG
(4-amino-n-[2,3-3H]butyric acid | 4-aminobutanoic a...)
Show SMILES NCCCC(O)=O
Show InChI InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
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n/an/a 2.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro effect on GABA uptake in a crude preparation of synaptosomes from rat brain.

J Med Chem 26: 895-900 (1983)


BindingDB Entry DOI: 10.7270/Q2P84CGX
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1/GABA transporter 2/GABA transporter 3/betaine transporter


(Rattus norvegicus)		BDBM24183
PNG
(4-amino-n-[2,3-3H]butyric acid | 4-aminobutanoic a...)
Show SMILES NCCCC(O)=O
Show InChI InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
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n/an/a 3.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of GABA uptake in rat brain synaptic membranes

J Med Chem 28: 1612-7 (1985)


BindingDB Entry DOI: 10.7270/Q2PN94NZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 2


(Rattus norvegicus)		BDBM24183
PNG
(4-amino-n-[2,3-3H]butyric acid | 4-aminobutanoic a...)
Show SMILES NCCCC(O)=O
Show InChI InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against rat GABA transporter-2 (rGAT2)

J Med Chem 37: 2334-42 (1994)


BindingDB Entry DOI: 10.7270/Q2P849XX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Rattus norvegicus)		BDBM50020883
PNG
((R)-Piperidine-3-carboxylic acid | (R)-nipecotic a...)
Show SMILES OC(=O)[C@@H]1CCCNC1 |r|
Show InChI InChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9)/t5-/m1/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against rat GABA transporter-2 (rGAT2)

J Med Chem 37: 2334-42 (1994)


BindingDB Entry DOI: 10.7270/Q2P849XX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Rattus norvegicus)		BDBM50039246
PNG
((S)-1-(2-(tris(4-methoxyphenyl)methoxy)ethyl)piper...)
Show SMILES COc1ccc(cc1)C(OCCN1CCC[C@@H](C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1 |r|
Show InChI InChI=1S/C30H35NO6/c1-34-26-12-6-23(7-13-26)30(24-8-14-27(35-2)15-9-24,25-10-16-28(36-3)17-11-25)37-20-19-31-18-4-5-22(21-31)29(32)33/h6-17,22H,4-5,18-21H2,1-3H3,(H,32,33)/t22-/m0/s1
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n/an/a 2.09E+4n/an/an/an/an/an/a



Ludwig-Maximilians-University Munich

Curated by ChEMBL


Assay Description
Inhibition of rat GAT2 assessed as [3H]GABA uptake

Bioorg Med Chem 19: 6492-504 (2011)


Article DOI: 10.1016/j.bmc.2011.08.039
BindingDB Entry DOI: 10.7270/Q2154JB8
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Rattus norvegicus)		BDBM50039246
PNG
((S)-1-(2-(tris(4-methoxyphenyl)methoxy)ethyl)piper...)
Show SMILES COc1ccc(cc1)C(OCCN1CCC[C@@H](C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1 |r|
Show InChI InChI=1S/C30H35NO6/c1-34-26-12-6-23(7-13-26)30(24-8-14-27(35-2)15-9-24,25-10-16-28(36-3)17-11-25)37-20-19-31-18-4-5-22(21-31)29(32)33/h6-17,22H,4-5,18-21H2,1-3H3,(H,32,33)/t22-/m0/s1
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n/an/a 2.10E+4n/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against rat GABA transporter-2 (rGAT2)

J Med Chem 37: 2334-42 (1994)


BindingDB Entry DOI: 10.7270/Q2P849XX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Rattus norvegicus)		BDBM50039234
PNG
(1-{2-[Tris-(4-methoxy-phenyl)-methoxy]-ethyl}-pipe...)
Show SMILES COc1ccc(cc1)C(OCCN1CCCC(C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1
Show InChI InChI=1S/C30H35NO6/c1-34-26-12-6-23(7-13-26)30(24-8-14-27(35-2)15-9-24,25-10-16-28(36-3)17-11-25)37-20-19-31-18-4-5-22(21-31)29(32)33/h6-17,22H,4-5,18-21H2,1-3H3,(H,32,33)
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n/an/a 2.10E+4n/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/GABA transporter 2/GABA transporter 3/betaine transporter


(Rattus norvegicus)		BDBM50021186
PNG
(4-Amino-3-hydroxy-butyric acid | CHEMBL296263 | S(...)
Show SMILES NC[C@@H](O)CC(O)=O
Show InChI InChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1
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n/an/a 2.90E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of GABA uptake in rat brain synaptic membranes

J Med Chem 28: 1612-7 (1985)


BindingDB Entry DOI: 10.7270/Q2PN94NZ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Rattus norvegicus)		BDBM50039245
PNG
(CHEMBL309357 | Dimethyl-[2-(1,7,7-trimethyl-2-phen...)
Show SMILES CN(C)CCOC1(CC2CCC1(C)C2(C)C)c1ccccc1 |TLB:5:6:13:10.9,THB:16:6:13:10.9|
Show InChI InChI=1S/C20H31NO/c1-18(2)17-11-12-19(18,3)20(15-17,22-14-13-21(4)5)16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3
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n/an/a 3.00E+4n/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against rat GABA transporter-2 (rGAT2)

J Med Chem 37: 2334-42 (1994)


BindingDB Entry DOI: 10.7270/Q2P849XX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Rattus norvegicus)		BDBM50039234
PNG
(1-{2-[Tris-(4-methoxy-phenyl)-methoxy]-ethyl}-pipe...)
Show SMILES COc1ccc(cc1)C(OCCN1CCCC(C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1
Show InChI InChI=1S/C30H35NO6/c1-34-26-12-6-23(7-13-26)30(24-8-14-27(35-2)15-9-24,25-10-16-28(36-3)17-11-25)37-20-19-31-18-4-5-22(21-31)29(32)33/h6-17,22H,4-5,18-21H2,1-3H3,(H,32,33)
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n/an/a 3.40E+4n/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against rat GABA transporter-2 (rGAT2)

J Med Chem 37: 2334-42 (1994)


BindingDB Entry DOI: 10.7270/Q2P849XX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Rattus norvegicus)		BDBM50039242
PNG
(1-{2-[Bis-(4-chloro-phenyl)-(4-methoxy-phenyl)-met...)
Show SMILES COc1ccc(cc1)C(OCCN1CCCC(C1)C(O)=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H29Cl2NO4/c1-34-26-14-8-23(9-15-26)28(21-4-10-24(29)11-5-21,22-6-12-25(30)13-7-22)35-18-17-31-16-2-3-20(19-31)27(32)33/h4-15,20H,2-3,16-19H2,1H3,(H,32,33)
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n/an/a 3.90E+4n/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against rat GABA transporter-2 (rGAT2)

J Med Chem 37: 2334-42 (1994)


BindingDB Entry DOI: 10.7270/Q2P849XX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(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 3.90E+4n/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against rat GABA transporter-2 (rGAT2)

J Med Chem 37: 2334-42 (1994)


BindingDB Entry DOI: 10.7270/Q2P849XX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Rattus norvegicus)		BDBM50039235
PNG
(1-{2-[(4-Methoxy-phenyl)-di-p-tolyl-methoxy]-ethyl...)
Show SMILES COc1ccc(cc1)C(OCCN1CCCC(C1)C(O)=O)(c1ccc(C)cc1)c1ccc(C)cc1
Show InChI InChI=1S/C30H35NO4/c1-22-6-10-25(11-7-22)30(26-12-8-23(2)9-13-26,27-14-16-28(34-3)17-15-27)35-20-19-31-18-4-5-24(21-31)29(32)33/h6-17,24H,4-5,18-21H2,1-3H3,(H,32,33)
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n/an/a 4.50E+4n/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against rat GABA transporter-2 (rGAT2)

J Med Chem 37: 2334-42 (1994)


BindingDB Entry DOI: 10.7270/Q2P849XX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Rattus norvegicus)		BDBM50039238
PNG
(1-{2-[Bis-(4-fluoro-phenyl)-(4-methoxy-phenyl)-met...)
Show SMILES COc1ccc(cc1)C(OCCN1CCCC(C1)C(O)=O)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C28H29F2NO4/c1-34-26-14-8-23(9-15-26)28(21-4-10-24(29)11-5-21,22-6-12-25(30)13-7-22)35-18-17-31-16-2-3-20(19-31)27(32)33/h4-15,20H,2-3,16-19H2,1H3,(H,32,33)
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n/an/a 4.90E+4n/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against rat GABA transporter-2 (rGAT2)

J Med Chem 37: 2334-42 (1994)


BindingDB Entry DOI: 10.7270/Q2P849XX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Rattus norvegicus)		BDBM50039233
PNG
(1-{2-[9-(4-Methoxy-phenyl)-9H-fluoren-9-yloxy]-eth...)
Show SMILES COc1ccc(cc1)C1(OCCN2CCCC(C2)C(O)=O)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C28H29NO4/c1-32-22-14-12-21(13-15-22)28(33-18-17-29-16-6-7-20(19-29)27(30)31)25-10-4-2-8-23(25)24-9-3-5-11-26(24)28/h2-5,8-15,20H,6-7,16-19H2,1H3,(H,30,31)
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n/an/a 5.10E+4n/an/an/an/an/an/a



Ludwig-Maximilians-Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of rat GAT-2 expressed in thymidine kinase deficient mouse LM cells assessed as decrease in [3H]GABA uptake after 10 mins by scintillation...

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
Sodium- and chloride-dependent GABA transporter 2


(Rattus norvegicus)		BDBM50039233
PNG
(1-{2-[9-(4-Methoxy-phenyl)-9H-fluoren-9-yloxy]-eth...)
Show SMILES COc1ccc(cc1)C1(OCCN2CCCC(C2)C(O)=O)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C28H29NO4/c1-32-22-14-12-21(13-15-22)28(33-18-17-29-16-6-7-20(19-29)27(30)31)25-10-4-2-8-23(25)24-9-3-5-11-26(24)28/h2-5,8-15,20H,6-7,16-19H2,1H3,(H,30,31)
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n/an/a 5.10E+4n/an/an/an/an/an/a



Ludwig-Maximilians-University Munich

Curated by ChEMBL


Assay Description
Inhibition of rat GAT2-mediated GABA uptake

Eur J Med Chem 46: 1483-98 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.042
BindingDB Entry DOI: 10.7270/Q2F76CWJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Rattus norvegicus)		BDBM50039233
PNG
(1-{2-[9-(4-Methoxy-phenyl)-9H-fluoren-9-yloxy]-eth...)
Show SMILES COc1ccc(cc1)C1(OCCN2CCCC(C2)C(O)=O)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C28H29NO4/c1-32-22-14-12-21(13-15-22)28(33-18-17-29-16-6-7-20(19-29)27(30)31)25-10-4-2-8-23(25)24-9-3-5-11-26(24)28/h2-5,8-15,20H,6-7,16-19H2,1H3,(H,30,31)
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n/an/a 5.10E+4n/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against rat GABA transporter-2 (rGAT2)

J Med Chem 37: 2334-42 (1994)


BindingDB Entry DOI: 10.7270/Q2P849XX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Rattus norvegicus)		BDBM90787
PNG
(1,2,3,6-tetrahydropyridine-5-carboxylic acid;hydro...)
Show SMILES OC(=O)C1=CCCNC1 |t:3|
Show InChI InChI=1S/C6H9NO2/c8-6(9)5-2-1-3-7-4-5/h2,7H,1,3-4H2,(H,8,9)
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n/an/a 5.80E+4n/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against rat GABA transporter-2 (rGAT2)

J Med Chem 37: 2334-42 (1994)


BindingDB Entry DOI: 10.7270/Q2P849XX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Rattus norvegicus)		BDBM50039240
PNG
(1-{2-[Bis-(4-methoxy-phenyl)-phenyl-methoxy]-ethyl...)
Show SMILES COc1ccc(cc1)C(OCCN1CCCC(C1)C(O)=O)(c1ccccc1)c1ccc(OC)cc1
Show InChI InChI=1S/C29H33NO5/c1-33-26-14-10-24(11-15-26)29(23-8-4-3-5-9-23,25-12-16-27(34-2)17-13-25)35-20-19-30-18-6-7-22(21-30)28(31)32/h3-5,8-17,22H,6-7,18-21H2,1-2H3,(H,31,32)
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n/an/a 6.20E+4n/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against rat GABA transporter-2 (rGAT2)

J Med Chem 37: 2334-42 (1994)


BindingDB Entry DOI: 10.7270/Q2P849XX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1/GABA transporter 2/GABA transporter 3/betaine transporter


(Rattus norvegicus)		BDBM50021187
PNG
(4-Amino-3-hydroxy-butyric acid | CHEMBL290216 | R(...)
Show SMILES NC[C@H](O)CC(O)=O
Show InChI InChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m1/s1
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n/an/a 6.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vivo inhibition of GABA uptake in rat brain synaptic membranes

J Med Chem 28: 1612-7 (1985)


BindingDB Entry DOI: 10.7270/Q2PN94NZ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1/GABA transporter 2/GABA transporter 3/betaine transporter


(Rattus norvegicus)		BDBM50021189
PNG
(5-Aminomethyl-4,5-dihydro-isoxazol-3-ol | CHEMBL40...)
Show SMILES NC[C@H]1CC(O)=NO1 |c:5|
Show InChI InChI=1S/C4H8N2O2/c5-2-3-1-4(7)6-8-3/h3H,1-2,5H2,(H,6,7)/t3-/m1/s1
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n/an/a 7.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vivo inhibition of GABA uptake in rat brain synaptic membranes

J Med Chem 28: 1612-7 (1985)


BindingDB Entry DOI: 10.7270/Q2PN94NZ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Rattus norvegicus)		BDBM50039236
PNG
(1-{2-[Tris-(4-methoxy-phenyl)-methylsulfanyl]-ethy...)
Show SMILES COc1ccc(cc1)C(SCCN1CCCC(C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1
Show InChI InChI=1S/C30H35NO5S/c1-34-26-12-6-23(7-13-26)30(24-8-14-27(35-2)15-9-24,25-10-16-28(36-3)17-11-25)37-20-19-31-18-4-5-22(21-31)29(32)33/h6-17,22H,4-5,18-21H2,1-3H3,(H,32,33)
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n/an/a 8.40E+4n/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against rat GABA transporter-2 (rGAT2)

J Med Chem 37: 2334-42 (1994)


BindingDB Entry DOI: 10.7270/Q2P849XX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Rattus norvegicus)		BDBM50039244
PNG
(1-(2-Tritylsulfanyl-ethyl)-piperidine-3-carboxylic...)
Show SMILES OC(=O)C1CCCN(CCSC(c2ccccc2)(c2ccccc2)c2ccccc2)C1
Show InChI InChI=1S/C27H29NO2S/c29-26(30)22-11-10-18-28(21-22)19-20-31-27(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-9,12-17,22H,10-11,18-21H2,(H,29,30)
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n/an/a 8.50E+4n/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against rat GABA transporter-2 (rGAT2)

J Med Chem 37: 2334-42 (1994)


BindingDB Entry DOI: 10.7270/Q2P849XX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Rattus norvegicus)		BDBM50039237
PNG
(1-{3-[Tris-(4-methoxy-phenyl)-methoxy]-propyl}-pip...)
Show SMILES COc1ccc(cc1)C(OCCCN1CCCC(C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1
Show InChI InChI=1S/C31H37NO6/c1-35-27-13-7-24(8-14-27)31(25-9-15-28(36-2)16-10-25,26-11-17-29(37-3)18-12-26)38-21-5-20-32-19-4-6-23(22-32)30(33)34/h7-18,23H,4-6,19-22H2,1-3H3,(H,33,34)
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n/an/a 1.03E+5n/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against rat GABA transporter-2 (rGAT2)

J Med Chem 37: 2334-42 (1994)


BindingDB Entry DOI: 10.7270/Q2P849XX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1/GABA transporter 2/GABA transporter 3/betaine transporter


(Rattus norvegicus)		BDBM50225363
PNG
(CHEMBL40363)
Show SMILES NCC1CC(=O)NO1
Show InChI InChI=1S/C4H8N2O2/c5-2-3-1-4(7)6-8-3/h3H,1-2,5H2,(H,6,7)
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n/an/a 1.30E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of GABA uptake in rat brain synaptic membranes

J Med Chem 28: 1612-7 (1985)


BindingDB Entry DOI: 10.7270/Q2PN94NZ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Rattus norvegicus)		BDBM50039249
PNG
(1-{2-[(4-Methoxy-phenyl)-diphenyl-methoxy]-ethyl}-...)
Show SMILES COc1ccc(cc1)C(OCCN1CCCC(C1)C(O)=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H31NO4/c1-32-26-16-14-25(15-17-26)28(23-10-4-2-5-11-23,24-12-6-3-7-13-24)33-20-19-29-18-8-9-22(21-29)27(30)31/h2-7,10-17,22H,8-9,18-21H2,1H3,(H,30,31)
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n/an/a 1.37E+5n/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against rat GABA transporter-2 (rGAT2)

J Med Chem 37: 2334-42 (1994)


BindingDB Entry DOI: 10.7270/Q2P849XX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1/GABA transporter 2/GABA transporter 3/betaine transporter


(Rattus norvegicus)		BDBM50021262
PNG
(4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridin-5-ium-3-...)
Show SMILES O=c1[n-]oc2CC[NH2+]Cc12
Show InChI InChI=1S/C6H8N2O2/c9-6-4-3-7-2-1-5(4)10-8-6/h7H,1-3H2,(H,8,9)
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n/an/a 1.60E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro effect on GABA uptake in a crude preparation of synaptosomes from rat brain

J Med Chem 26: 895-900 (1983)


BindingDB Entry DOI: 10.7270/Q2P84CGX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Rattus norvegicus)		BDBM50039241
PNG
(1-{2-[(4-Methoxy-3-trifluoromethyl-phenyl)-phenyl-...)
Show SMILES COc1ccc(cc1C(F)(F)F)C(OCCN1CCCC(C1)C(O)=O)(c1ccccc1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C30H29F6NO4/c1-40-26-13-12-23(18-25(26)30(34,35)36)28(21-8-3-2-4-9-21,22-10-5-11-24(17-22)29(31,32)33)41-16-15-37-14-6-7-20(19-37)27(38)39/h2-5,8-13,17-18,20H,6-7,14-16,19H2,1H3,(H,38,39)
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n/an/a 1.77E+5n/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against rat GABA transporter-2 (rGAT2)

J Med Chem 37: 2334-42 (1994)


BindingDB Entry DOI: 10.7270/Q2P849XX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1/GABA transporter 2/GABA transporter 3/betaine transporter


(Rattus norvegicus)		BDBM50224812
PNG
(CHEBI:35010 | CHEMBL170539)
Show SMILES Oc1nsc2CNCCc12
Show InChI InChI=1S/C6H8N2OS/c9-6-4-1-2-7-3-5(4)10-8-6/h7H,1-3H2,(H,8,9)
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n/an/a 2.20E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro effect on GABA uptake in a crude preparation of synaptosomes from rat brain.

J Med Chem 26: 895-900 (1983)


BindingDB Entry DOI: 10.7270/Q2P84CGX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1/GABA transporter 2/GABA transporter 3/betaine transporter


(Rattus norvegicus)		BDBM50224810
PNG
(CHEMBL171241)
Show SMILES Oc1nsc2CCNCc12
Show InChI InChI=1S/C6H8N2OS/c9-6-4-3-7-2-1-5(4)10-8-6/h7H,1-3H2,(H,8,9)
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n/an/a 2.30E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro effect on GABA uptake in a crude preparation of synaptosomes from rat brain.

J Med Chem 26: 895-900 (1983)


BindingDB Entry DOI: 10.7270/Q2P84CGX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Rattus norvegicus)		BDBM50039248
PNG
((R)-1-{2-[Tris-(4-methoxy-phenyl)-methoxy]-ethyl}-...)
Show SMILES COc1ccc(cc1)C(OCCN1CCC[C@H](C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1
Show InChI InChI=1S/C30H35NO6/c1-34-26-12-6-23(7-13-26)30(24-8-14-27(35-2)15-9-24,25-10-16-28(36-3)17-11-25)37-20-19-31-18-4-5-22(21-31)29(32)33/h6-17,22H,4-5,18-21H2,1-3H3,(H,32,33)/t22-/m1/s1
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n/an/a 2.40E+5n/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against rat GABA transporter-2 (rGAT2)

J Med Chem 37: 2334-42 (1994)


BindingDB Entry DOI: 10.7270/Q2P849XX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1/GABA transporter 2/GABA transporter 3/betaine transporter


(Rattus norvegicus)		BDBM23183
PNG
(5-(aminomethyl)-1,2-oxazol-3-ol | Agarin | CHEMBL2...)
Show SMILES NCc1cc(=O)[nH]o1
Show InChI InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)
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n/an/a 3.20E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of GABA uptake in rat brain synaptic membranes

J Med Chem 28: 1612-7 (1985)


BindingDB Entry DOI: 10.7270/Q2PN94NZ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1/GABA transporter 2/GABA transporter 3/betaine transporter


(Rattus norvegicus)		BDBM50224811
PNG
(CHEMBL170753)
Show SMILES Oc1nsc2CCNCCc12
Show InChI InChI=1S/C7H10N2OS/c10-7-5-1-3-8-4-2-6(5)11-9-7/h8H,1-4H2,(H,9,10)
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n/an/a 4.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro effect on GABA uptake in a crude preparation of synaptosomes from rat brain.

J Med Chem 26: 895-900 (1983)


BindingDB Entry DOI: 10.7270/Q2P84CGX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Rattus norvegicus)		BDBM50039252
PNG
(1-{2-[(3-Fluoro-4-methoxy-phenyl)-(3-fluoro-phenyl...)
Show SMILES COc1ccc(cc1F)C(OCCN1CCCC(C1)C(O)=O)(c1ccccc1)c1cccc(F)c1
Show InChI InChI=1S/C28H29F2NO4/c1-34-26-13-12-23(18-25(26)30)28(21-8-3-2-4-9-21,22-10-5-11-24(29)17-22)35-16-15-31-14-6-7-20(19-31)27(32)33/h2-5,8-13,17-18,20H,6-7,14-16,19H2,1H3,(H,32,33)
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n/an/a 4.17E+5n/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against rat GABA transporter-2 (rGAT2)

J Med Chem 37: 2334-42 (1994)


BindingDB Entry DOI: 10.7270/Q2P849XX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Rattus norvegicus)		BDBM50403565
PNG
(CHEMBL2093978)
Show SMILES OC(=O)[C@@H]1CCC2C[C@@H](CCN2C1)C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C23H27NO2/c25-23(26)20-11-12-21-15-19(13-14-24(21)16-20)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-22H,11-16H2,(H,25,26)/t19-,20-,21?/m1/s1
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n/an/a 4.47E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its ability to inhibit uptake of [3H]- GABA by cloned rat GAT-2 transporte

Bioorg Med Chem Lett 6: 1535-1540 (1996)


Article DOI: 10.1016/S0960-894X(96)00268-5
BindingDB Entry DOI: 10.7270/Q2NV9J79
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1/GABA transporter 2/GABA transporter 3/betaine transporter


(Rattus norvegicus)		BDBM50224808
PNG
(CHEMBL309689)
Show SMILES Oc1noc2CCNCCc12
Show InChI InChI=1S/C7H10N2O2/c10-7-5-1-3-8-4-2-6(5)11-9-7/h8H,1-4H2,(H,9,10)
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n/an/a>5.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro effect on GABA uptake in a crude preparation of synaptosomes from rat brain.

J Med Chem 26: 895-900 (1983)


BindingDB Entry DOI: 10.7270/Q2P84CGX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1/GABA transporter 2/GABA transporter 3/betaine transporter


(Rattus norvegicus)		BDBM50224809
PNG
(CHEBI:34373 | Gaboxadol | LU-02030 | MK-0928)
Show SMILES Oc1noc2CNCCc12
Show InChI InChI=1S/C6H8N2O2/c9-6-4-1-2-7-3-5(4)10-8-6/h7H,1-3H2,(H,8,9)
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n/an/a>5.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro effect on GABA uptake in a crude preparation of synaptosomes from rat brain.

J Med Chem 26: 895-900 (1983)


BindingDB Entry DOI: 10.7270/Q2P84CGX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1/GABA transporter 2/GABA transporter 3/betaine transporter


(Rattus norvegicus)		BDBM50021185
PNG
(5-Aminomethyl-4,5-dihydro-isoxazol-3-ol | CHEMBL42...)
Show SMILES NC[C@@H]1CC(O)=NO1 |c:5|
Show InChI InChI=1S/C4H8N2O2/c5-2-3-1-4(7)6-8-3/h3H,1-2,5H2,(H,6,7)/t3-/m0/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of GABA uptake in rat brain synaptic membranes

J Med Chem 28: 1612-7 (1985)


BindingDB Entry DOI: 10.7270/Q2PN94NZ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Rattus norvegicus)		BDBM50020891
PNG
((R)-1-(4,4-Diphenyl-but-3-enyl)-piperidine-3-carbo...)
Show SMILES [#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c2ccccc2)-c2ccccc2)-[#6]-1
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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n/an/a 5.50E+5n/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against rat GABA transporter-2 (rGAT2)

J Med Chem 37: 2334-42 (1994)


BindingDB Entry DOI: 10.7270/Q2P849XX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Rattus norvegicus)		BDBM50003634
PNG
(1-(4,4-Diphenyl-but-3-enyl)-piperidine-3-carboxyli...)
Show SMILES [#8]-[#6](=O)-[#6]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c2ccccc2)-c2ccccc2)-[#6]-1
Show InChI InChI=1S/C22H25NO2/c24-22(25)20-13-7-15-23(17-20)16-8-14-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,14,20H,7-8,13,15-17H2,(H,24,25)
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n/an/a 5.50E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its ability to inhibit uptake of [3H]- GABA by cloned rat GAT-2 transporte

Bioorg Med Chem Lett 6: 1535-1540 (1996)


Article DOI: 10.1016/S0960-894X(96)00268-5
BindingDB Entry DOI: 10.7270/Q2NV9J79
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Rattus norvegicus)		BDBM50403566
PNG
(CHEMBL2094022)
Show SMILES OC(=O)[C@H]1CCC2C[C@@H](CCN2C1)C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C23H27NO2/c25-23(26)20-11-12-21-15-19(13-14-24(21)16-20)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-22H,11-16H2,(H,25,26)/t19-,20+,21?/m1/s1
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n/an/a 6.69E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its ability to inhibit uptake of [3H]- GABA by cloned rat GAT-2 transporte

Bioorg Med Chem Lett 6: 1535-1540 (1996)


Article DOI: 10.1016/S0960-894X(96)00268-5
BindingDB Entry DOI: 10.7270/Q2NV9J79
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Rattus norvegicus)		BDBM50403563
PNG
(CHEMBL2093977)
Show SMILES [#8]-[#6](=O)-[#6@H]-1-[#6]-[#6]-[#6]-2-[#6]\[#6](-[#6]-[#6]-[#7]-2-[#6]-1)=[#6](\c1ccccc1)-c1ccccc1 |r|
Show InChI InChI=1S/C23H25NO2/c25-23(26)20-11-12-21-15-19(13-14-24(21)16-20)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,20-21H,11-16H2,(H,25,26)/t20-,21?/m0/s1
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n/an/a 7.57E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its ability to inhibit uptake of [3H]- GABA by cloned rat GAT-2 transporte

Bioorg Med Chem Lett 6: 1535-1540 (1996)


Article DOI: 10.1016/S0960-894X(96)00268-5
BindingDB Entry DOI: 10.7270/Q2NV9J79
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Rattus norvegicus)		BDBM50020888
PNG
((S)-Piperidine-3-carboxylic acid | (S)-nipecotic a...)
Show SMILES OC(=O)[C@H]1CCCNC1 |r|
Show InChI InChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1
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n/an/a 7.63E+5n/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against rat GABA transporter-2 (rGAT2)

J Med Chem 37: 2334-42 (1994)


BindingDB Entry DOI: 10.7270/Q2P849XX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Rattus norvegicus)		BDBM50403564
PNG
(CHEMBL2094024)
Show SMILES [#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-2-[#6]\[#6](-[#6]-[#6]-[#7]-2-[#6]-1)=[#6](\c1ccccc1)-c1ccccc1 |r|
Show InChI InChI=1S/C23H25NO2/c25-23(26)20-11-12-21-15-19(13-14-24(21)16-20)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,20-21H,11-16H2,(H,25,26)/t20-,21?/m1/s1
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n/an/a 8.10E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its ability to inhibit uptake of [3H]- GABA by cloned rat GAT-2 transporte

Bioorg Med Chem Lett 6: 1535-1540 (1996)


Article DOI: 10.1016/S0960-894X(96)00268-5
BindingDB Entry DOI: 10.7270/Q2NV9J79
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Rattus norvegicus)		BDBM50003618
PNG
(1-{2-[Bis-(4-trifluoromethyl-phenyl)-methoxy]-ethy...)
Show SMILES OC(=O)C1=CCCN(CCOC(c2ccc(cc2)C(F)(F)F)c2ccc(cc2)C(F)(F)F)C1 |t:3|
Show InChI InChI=1S/C23H21F6NO3/c24-22(25,26)18-7-3-15(4-8-18)20(16-5-9-19(10-6-16)23(27,28)29)33-13-12-30-11-1-2-17(14-30)21(31)32/h2-10,20H,1,11-14H2,(H,31,32)
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n/an/a 1.28E+6n/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against rat GABA transporter-2 (rGAT2)

J Med Chem 37: 2334-42 (1994)


BindingDB Entry DOI: 10.7270/Q2P849XX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(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 1.41E+6n/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against rat GABA transporter-2 (rGAT2)

J Med Chem 37: 2334-42 (1994)


BindingDB Entry DOI: 10.7270/Q2P849XX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Rattus norvegicus)		BDBM50039247
PNG
(1-{2-[Tris-(4-methoxy-phenyl)-methoxy]-ethyl}-1,2,...)
Show SMILES COc1ccc(cc1)C(OCCN1CCC=C(C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1 |c:16|
Show InChI InChI=1S/C30H33NO6/c1-34-26-12-6-23(7-13-26)30(24-8-14-27(35-2)15-9-24,25-10-16-28(36-3)17-11-25)37-20-19-31-18-4-5-22(21-31)29(32)33/h5-17H,4,18-21H2,1-3H3,(H,32,33)
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n/an/a 2.80E+6n/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against rat GABA transporter-2 (rGAT2)

J Med Chem 37: 2334-42 (1994)


BindingDB Entry DOI: 10.7270/Q2P849XX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Rattus norvegicus)		BDBM50039253
PNG
(1-{2-[Tris-(4-fluoro-phenyl)-methoxy]-ethyl}-piper...)
Show SMILES OC(=O)C1CCCN(CCOC(c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)C1
Show InChI InChI=1S/C27H26F3NO3/c28-23-9-3-20(4-10-23)27(21-5-11-24(29)12-6-21,22-7-13-25(30)14-8-22)34-17-16-31-15-1-2-19(18-31)26(32)33/h3-14,19H,1-2,15-18H2,(H,32,33)
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n/an/a 3.67E+6n/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against rat GABA transporter-2 (rGAT2)

J Med Chem 37: 2334-42 (1994)


BindingDB Entry DOI: 10.7270/Q2P849XX
More data for this
Ligand-Target Pair