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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Sodium- and chloride-dependent GABA transporter 2' and Ligand = 'BDBM90787'   
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 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)
KEGG

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MCE
KEGG
PC cid
PC sid
UniChem

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PubMed
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


(Homo sapiens (Human))
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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KEGG

UniProtKB/SwissProt

antibodypedia
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DrugBank
MCE
KEGG
PC cid
PC sid
UniChem

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Article
PubMed
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


Eur J Med Chem 45: 2453-66 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.029
BindingDB Entry DOI: 10.7270/Q2GH9J5D
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Mus musculus)
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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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.24E+4n/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT2 mediated [3]GABA uptake expressed in HEK293 cells after 3 mins by scintillation counting


Bioorg Med Chem Lett 26: 417-23 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.100
BindingDB Entry DOI: 10.7270/Q2V69MF4
More data for this
Ligand-Target Pair