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Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with Target = 'GABA transporter 1' and Ligand = 'BDBM24183'   
Target/Host
(Institution)
LigandTarget/Host
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)
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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Article
PubMed
n/an/a 1.62E+3n/an/an/an/an/an/a



Budapest University of Technology and Economics

Curated by ChEMBL


Assay Description
H-bonding interaction between amino acid residue (Asn-137) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound


J Med Chem 47: 5620-9 (2004)


Article DOI: 10.1021/jm040809c
BindingDB Entry DOI: 10.7270/Q2TX3G43
More data for this
Ligand-Target Pair
GABA transporter 1


(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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PubMed
n/an/a 1.79E+3n/an/an/an/an/an/a



Budapest University of Technology and Economics

Curated by ChEMBL


Assay Description
H-bonding interaction between amino acid residue (Tyr-140) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound was determined


J Med Chem 47: 5620-9 (2004)


Article DOI: 10.1021/jm040809c
BindingDB Entry DOI: 10.7270/Q2TX3G43
More data for this
Ligand-Target Pair
GABA transporter 1


(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 1.80E+3n/an/an/an/an/an/a



Budapest University of Technology and Economics

Curated by ChEMBL


Assay Description
H-bonding interaction between amino acid residue (Asn-137) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound


J Med Chem 47: 5620-9 (2004)


Article DOI: 10.1021/jm040809c
BindingDB Entry DOI: 10.7270/Q2TX3G43
More data for this
Ligand-Target Pair
GABA transporter 1


(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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Article
PubMed
n/an/a 1.83E+3n/an/an/an/an/an/a



Budapest University of Technology and Economics

Curated by ChEMBL


Assay Description
H-bonding interaction between amino acid residue (Tyr-140) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound was determined


J Med Chem 47: 5620-9 (2004)


Article DOI: 10.1021/jm040809c
BindingDB Entry DOI: 10.7270/Q2TX3G43
More data for this
Ligand-Target Pair
GABA transporter 1


(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 1.97E+3n/an/an/an/an/an/a



Budapest University of Technology and Economics

Curated by ChEMBL


Assay Description
H-bonding interaction between amino acid residue (Thr-89) of Sodium- and chloride-dependent GABA transporter 1TM2 and compound


J Med Chem 47: 5620-9 (2004)


Article DOI: 10.1021/jm040809c
BindingDB Entry DOI: 10.7270/Q2TX3G43
More data for this
Ligand-Target Pair
GABA transporter 1


(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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Article
PubMed
n/an/a 2.12E+3n/an/an/an/an/an/a



Budapest University of Technology and Economics

Curated by ChEMBL


Assay Description
H-bonding interaction between amino acid residue (Ser-133) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound was determined


J Med Chem 47: 5620-9 (2004)


Article DOI: 10.1021/jm040809c
BindingDB Entry DOI: 10.7270/Q2TX3G43
More data for this
Ligand-Target Pair
GABA transporter 1


(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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Article
PubMed
n/an/a 2.15E+3n/an/an/an/an/an/a



Budapest University of Technology and Economics

Curated by ChEMBL


Assay Description
H-bonding interaction between amino acid residue (Ser-133) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound was determined


J Med Chem 47: 5620-9 (2004)


Article DOI: 10.1021/jm040809c
BindingDB Entry DOI: 10.7270/Q2TX3G43
More data for this
Ligand-Target Pair
GABA transporter 1


(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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Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Budapest University of Technology and Economics

Curated by ChEMBL


Assay Description
H-bonding interaction between amino acid residue (Asn-137) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound


J Med Chem 47: 5620-9 (2004)


Article DOI: 10.1021/jm040809c
BindingDB Entry DOI: 10.7270/Q2TX3G43
More data for this
Ligand-Target Pair
GABA transporter 1


(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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Article
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n/an/a 2.60E+3n/an/an/an/an/an/a



Budapest University of Technology and Economics

Curated by ChEMBL


Assay Description
H-bonding interaction between amino acid residue (Tyr-140) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound was determined


J Med Chem 47: 5620-9 (2004)


Article DOI: 10.1021/jm040809c
BindingDB Entry DOI: 10.7270/Q2TX3G43
More data for this
Ligand-Target Pair
GABA transporter 1


(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 2.64E+3n/an/an/an/an/an/a



Budapest University of Technology and Economics

Curated by ChEMBL


Assay Description
H-bonding interaction between amino acid residue (Asn-137) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound


J Med Chem 47: 5620-9 (2004)


Article DOI: 10.1021/jm040809c
BindingDB Entry DOI: 10.7270/Q2TX3G43
More data for this
Ligand-Target Pair
GABA transporter 1


(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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Article
PubMed
n/an/a 2.73E+3n/an/an/an/an/an/a



Budapest University of Technology and Economics

Curated by ChEMBL


Assay Description
H-bonding interaction between amino acid residue (Tyr-140) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound was determined


J Med Chem 47: 5620-9 (2004)


Article DOI: 10.1021/jm040809c
BindingDB Entry DOI: 10.7270/Q2TX3G43
More data for this
Ligand-Target Pair
GABA transporter 1


(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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Article
PubMed
n/an/a 2.75E+3n/an/an/an/an/an/a



Budapest University of Technology and Economics

Curated by ChEMBL


Assay Description
H-bonding interaction between amino acid residue (Ser-133) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound was determined


J Med Chem 47: 5620-9 (2004)


Article DOI: 10.1021/jm040809c
BindingDB Entry DOI: 10.7270/Q2TX3G43
More data for this
Ligand-Target Pair
GABA transporter 1


(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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Article
PubMed
n/an/a 2.88E+3n/an/an/an/an/an/a



Budapest University of Technology and Economics

Curated by ChEMBL


Assay Description
H-bonding interaction between amino acid residue (Thr-89) of Sodium- and chloride-dependent GABA transporter 1TM2 and compound


J Med Chem 47: 5620-9 (2004)


Article DOI: 10.1021/jm040809c
BindingDB Entry DOI: 10.7270/Q2TX3G43
More data for this
Ligand-Target Pair
GABA transporter 1


(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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Article
PubMed
n/an/a 2.88E+3n/an/an/an/an/an/a



Budapest University of Technology and Economics

Curated by ChEMBL


Assay Description
H-bonding interaction between amino acid residue (Ser-133) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound was determined


J Med Chem 47: 5620-9 (2004)


Article DOI: 10.1021/jm040809c
BindingDB Entry DOI: 10.7270/Q2TX3G43
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens)
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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Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against human GABA transporter-1 (hGAT1)


J Med Chem 37: 2334-42 (1994)


Article DOI: 10.1021/jm00041a012
BindingDB Entry DOI: 10.7270/Q2P849XX
More data for this
Ligand-Target Pair