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PubMed code 6292417

Compile data set for download or QSAR
Found 10 hits of Enzyme Inhibition Constant Data   
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
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)
PDB

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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 betaine transporter


(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 6.00E+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
Sodium- and chloride-dependent betaine transporter


(Rattus norvegicus)
BDBM50223874
PNG
(CHEMBL277372)
Show SMILES O[C@@H]1CCNC[C@@H]1C(O)=O
Show InChI InChI=1S/C6H11NO3/c8-5-1-2-7-3-4(5)6(9)10/h4-5,7-8H,1-3H2,(H,9,10)/t4-,5+/m0/s1
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n/an/a 1.10E+4n/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
Sodium- and chloride-dependent betaine transporter


(Rattus norvegicus)
BDBM50223872
PNG
(CHEMBL15851)
Show SMILES O[C@@H]1CNC[C@@H](C1)C(O)=O
Show InChI InChI=1S/C6H11NO3/c8-5-1-4(6(9)10)2-7-3-5/h4-5,7-8H,1-3H2,(H,9,10)/t4-,5+/m1/s1
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n/an/a 1.73E+5n/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
Sodium- and chloride-dependent betaine transporter


(Rattus norvegicus)
BDBM50223876
PNG
(CHEMBL16226)
Show SMILES O[C@H]1CCNC[C@@H]1C(O)=O
Show InChI InChI=1S/C6H11NO3/c8-5-1-2-7-3-4(5)6(9)10/h4-5,7-8H,1-3H2,(H,9,10)/t4-,5-/m0/s1
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n/an/a 2.03E+5n/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
Sodium- and chloride-dependent betaine transporter


(Rattus norvegicus)
BDBM50223871
PNG
(CHEMBL429974)
Show SMILES CC(=O)N[C@@H]1CNC[C@@H](C1)C(O)=O
Show InChI InChI=1S/C8H14N2O3/c1-5(11)10-7-2-6(8(12)13)3-9-4-7/h6-7,9H,2-4H2,1H3,(H,10,11)(H,12,13)/t6-,7+/m1/s1
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n/an/a 2.40E+5n/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
Sodium- and chloride-dependent betaine transporter


(Rattus norvegicus)
BDBM50223875
PNG
(CHEMBL280511)
Show SMILES CC(=O)N[C@@H]1CCNC[C@@H]1C(O)=O
Show InChI InChI=1S/C8H14N2O3/c1-5(11)10-7-2-3-9-4-6(7)8(12)13/h6-7,9H,2-4H2,1H3,(H,10,11)(H,12,13)/t6-,7+/m0/s1
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n/an/a>3.00E+5n/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
Sodium- and chloride-dependent betaine transporter


(Rattus norvegicus)
BDBM50000106
PNG
(4-CARBOXYPIPERIDINE | CHEMBL279998 | Piperidine-4-...)
Show SMILES OC(=O)C1CCNCC1
Show InChI InChI=1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9)
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n/an/a>3.00E+5n/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
Sodium- and chloride-dependent betaine transporter


(Rattus norvegicus)
BDBM50223877
PNG
(CHEMBL16132)
Show SMILES O[C@H]1CNCC[C@H]1C(O)=O
Show InChI InChI=1S/C6H11NO3/c8-5-3-7-2-1-4(5)6(9)10/h4-5,7-8H,1-3H2,(H,9,10)/t4-,5+/m1/s1
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n/an/a>3.00E+5n/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
Sodium- and chloride-dependent betaine transporter


(Rattus norvegicus)
BDBM50223873
PNG
(CHEMBL16357)
Show SMILES O[C@@H]1CNCC[C@H]1C(O)=O
Show InChI InChI=1S/C6H11NO3/c8-5-3-7-2-1-4(5)6(9)10/h4-5,7-8H,1-3H2,(H,9,10)/t4-,5-/m1/s1
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n/an/a>3.00E+5n/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
* indicates data uncertainty>20%