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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium- and chloride-dependent GABA transporter 1' and Ligand = 'BDBM50491710'   
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


(Rattus norvegicus)
BDBM50491710
PNG
(CHEMBL2387669)
Show SMILES OC(=O)C1CCCN(CCO\C=C/c2ccc(F)cc2Cc2ccc(F)cc2)C1
Show InChI InChI=1S/C23H25F2NO3/c24-21-6-3-17(4-7-21)14-20-15-22(25)8-5-18(20)9-12-29-13-11-26-10-1-2-19(16-26)23(27)28/h3-9,12,15,19H,1-2,10-11,13-14,16H2,(H,27,28)/b12-9-
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.18E+3n/an/an/an/an/an/a



Ludwig-Maximilians-University Munich

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT1 expressed in HEK cells assessed as inhibition of [3H]-GABA uptake after 25 mins by liquid scintillation counting analysis


Bioorg Med Chem 21: 3363-78 (2013)


Article DOI: 10.1016/j.bmc.2013.02.056
BindingDB Entry DOI: 10.7270/Q23N269C
More data for this
Ligand-Target Pair