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Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with Target = 'GABA transporter 2' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
GABA transporter 2


(Homo sapiens)
BDBM50419338
PNG
(CHEMBL1446457)
Show SMILES COc1ccccc1C1(O)CCN(CCCn2c3ccccc3c3ccccc23)CC1
Show InChI InChI=1S/C27H30N2O2/c1-31-26-14-7-4-11-23(26)27(30)15-19-28(20-16-27)17-8-18-29-24-12-5-2-9-21(24)22-10-3-6-13-25(22)29/h2-7,9-14,30H,8,15-20H2,1H3
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n/an/a 6.20E+3n/an/an/an/an/an/a



Faculty of Pharmaceutical Sciences, Hokkaido University , Kita-12, Nishi-6, Kita-ku, Sapporo 060-0812, Japan.

Curated by ChEMBL


Assay Description
Inhibition of human GAT2 transfected in CHO cells assessed as [3H]GABA uptake after 20 mins by liquid scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 2


(Homo sapiens)
BDBM50039246
PNG
((S)-1-(2-(tris(4-methoxyphenyl)methoxy)ethyl)piper...)
Show SMILES COc1ccc(cc1)C(OCCN1CCC[C@@H](C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1
Show InChI InChI=1S/C30H35NO6/c1-34-26-12-6-23(7-13-26)30(24-8-14-27(35-2)15-9-24,25-10-16-28(36-3)17-11-25)37-20-19-31-18-4-5-22(21-31)29(32)33/h6-17,22H,4-5,18-21H2,1-3H3,(H,32,33)/t22-/m0/s1
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n/an/a 1.19E+4n/an/an/an/an/an/a



Faculty of Pharmaceutical Sciences, Hokkaido University , Kita-12, Nishi-6, Kita-ku, Sapporo 060-0812, Japan.

Curated by ChEMBL


Assay Description
Inhibition of human GAT2 transfected in CHO cells assessed as [3H]GABA uptake after 20 mins by liquid scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 2


(Homo sapiens)
BDBM50039246
PNG
((S)-1-(2-(tris(4-methoxyphenyl)methoxy)ethyl)piper...)
Show SMILES COc1ccc(cc1)C(OCCN1CCC[C@@H](C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1
Show InChI InChI=1S/C30H35NO6/c1-34-26-12-6-23(7-13-26)30(24-8-14-27(35-2)15-9-24,25-10-16-28(36-3)17-11-25)37-20-19-31-18-4-5-22(21-31)29(32)33/h6-17,22H,4-5,18-21H2,1-3H3,(H,32,33)/t22-/m0/s1
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n/an/a 1.19E+4n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human GAT2 transfected in CHO cells assessed as [3H]GABA uptake after 20 mins by liquid scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 2


(Homo sapiens)
BDBM50438758
PNG
(CHEMBL2415009)
Show SMILES N[C@@H]1C[C@H]1CC(O)=O
Show InChI InChI=1S/C5H9NO2/c6-4-1-3(4)2-5(7)8/h3-4H,1-2,6H2,(H,7,8)/t3-,4+/m0/s1
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n/an/a 3.69E+4n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human GAT2 transfected in CHO cells assessed as [3H]GABA uptake after 20 mins by liquid scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 2


(Homo sapiens)
BDBM50101328
PNG
(CHEMBL3040189)
Show SMILES N[C@H]1C[C@H]1CC(O)=O
Show InChI InChI=1/C5H9NO2/c6-4-1-3(4)2-5(7)8/h3-4H,1-2,6H2,(H,7,8)/t3-,4-/s2
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n/an/a 3.69E+4n/an/an/an/an/an/a



Faculty of Pharmaceutical Sciences, Hokkaido University , Kita-12, Nishi-6, Kita-ku, Sapporo 060-0812, Japan.

Curated by ChEMBL


Assay Description
Inhibition of human GAT2 transfected in CHO cells assessed as [3H]GABA uptake after 20 mins by liquid scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 2


(Homo sapiens)
BDBM90787
PNG
(1,2,3,6-tetrahydropyridine-5-carboxylic acid;hydro...)
Show SMILES OC(=O)C1=CCCNC1
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 6.60E+4n/an/an/an/an/an/a



Zentrum f£r Pharmaforschung

Curated by ChEMBL


Assay Description
Binding affinity to GAT2


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 2


(Homo sapiens)
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 6.60E+4n/an/an/an/an/an/a



Zentrum f£r Pharmaforschung

Curated by ChEMBL


Assay Description
Binding affinity to GAT2


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 2


(Homo sapiens)
BDBM50101329
PNG
(CHEMBL3326391)
Show SMILES N[C@]12C[C@H]1[C@H](CC2)C(O)=O
Show InChI InChI=1/C7H11NO2/c8-7-2-1-4(6(9)10)5(7)3-7/h4-5H,1-3,8H2,(H,9,10)/t4-,5-,7+/s2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Faculty of Pharmaceutical Sciences, Hokkaido University , Kita-12, Nishi-6, Kita-ku, Sapporo 060-0812, Japan.

Curated by ChEMBL


Assay Description
Inhibition of human GAT2 transfected in CHO cells assessed as [3H]GABA uptake after 20 mins by liquid scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 2


(Homo sapiens)
BDBM50000102
PNG
(3-aminopropanoic acidbeta-alanine | Alanine-beta |...)
Show SMILES NCCC(O)=O
Show InChI InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Faculty of Pharmaceutical Sciences, Hokkaido University , Kita-12, Nishi-6, Kita-ku, Sapporo 060-0812, Japan.

Curated by ChEMBL


Assay Description
Inhibition of human GAT2 transfected in CHO cells assessed as [3H]GABA uptake after 20 mins by liquid scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 2


(Homo sapiens)
BDBM50334247
PNG
((R,E)-1-(4-(2-fluorophenyl)-4-o-tolylbut-3-enyl)pi...)
Show SMILES Cc1ccccc1\C(=C/CCN1CCC[C@H](C1)C(O)=O)c1ccccc1F
Show InChI InChI=1S/C23H26FNO2/c1-17-8-2-3-10-19(17)20(21-11-4-5-13-22(21)24)12-7-15-25-14-6-9-18(16-25)23(26)27/h2-5,8,10-13,18H,6-7,9,14-16H2,1H3,(H,26,27)/b20-12+/t18-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GAT2


Citation and Details
More data for this
Ligand-Target Pair
GABA transporter 2


(Homo sapiens)
BDBM50000102
PNG
(3-aminopropanoic acidbeta-alanine | Alanine-beta |...)
Show SMILES NCCC(O)=O
Show InChI InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
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n/an/a 2.09E+5n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human GAT2 transfected in CHO cells assessed as [3H]GABA uptake after 20 mins by liquid scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair