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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 = 'BDBM50304264'   
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


(Mus musculus)
BDBM50304264
PNG
(2-((2S,4S)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-...)
Show SMILES [#6]-c1ccsc1\[#6](=[#6]\[#6]-[#6]-[#7]-1-[#6]-[#6@@H](F)-[#6]-[#6@@H]-1-[#6]-[#6](-[#8])=O)-c1sccc1-[#6] |r|
Show InChI InChI=1S/C20H24FNO2S2/c1-13-5-8-25-19(13)17(20-14(2)6-9-26-20)4-3-7-22-12-15(21)10-16(22)11-18(23)24/h4-6,8-9,15-16H,3,7,10-12H2,1-2H3,(H,23,24)/t15-,16+/m0/s1
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Similars

Article
PubMed
n/an/a 4.94E+3n/an/an/an/an/an/a



Institute of Microbiology

Curated by ChEMBL


Assay Description
Inhibition of GAT1 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting


Bioorg Med Chem 17: 6540-6 (2009)


Article DOI: 10.1016/j.bmc.2009.08.010
BindingDB Entry DOI: 10.7270/Q26110DK
More data for this
Ligand-Target Pair