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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 1' and Ligand = 'BDBM50080337'   
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)
BDBM50080337
PNG
((R)-1-{2-[2,2-Bis-(3-methyl-thiophen-2-yl)-vinylox...)
Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#8]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6]
Show InChI InChI=1S/C20H25NO3S2/c1-14-5-10-25-18(14)17(19-15(2)6-11-26-19)13-24-9-8-21-7-3-4-16(12-21)20(22)23/h5-6,10-11,13,16H,3-4,7-9,12H2,1-2H3,(H,22,23)/t16-/m1/s1
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14n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


J Med Chem 42: 3447-62 (1999)


Article DOI: 10.1021/jm981027k
BindingDB Entry DOI: 10.7270/Q2057GMV
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)
BDBM50080337
PNG
((R)-1-{2-[2,2-Bis-(3-methyl-thiophen-2-yl)-vinylox...)
Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#8]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6]
Show InChI InChI=1S/C20H25NO3S2/c1-14-5-10-25-18(14)17(19-15(2)6-11-26-19)13-24-9-8-21-7-3-4-16(12-21)20(22)23/h5-6,10-11,13,16H,3-4,7-9,12H2,1-2H3,(H,22,23)/t16-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of rat brain synaptosomes GAT1 assessed as inhibition of [3H]GABA uptake by liquid scintillation counting


J Med Chem 58: 2149-58 (2015)


Article DOI: 10.1021/jm5015428
BindingDB Entry DOI: 10.7270/Q2D50PNV
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)
BDBM50080337
PNG
((R)-1-{2-[2,2-Bis-(3-methyl-thiophen-2-yl)-vinylox...)
Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#8]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6]
Show InChI InChI=1S/C20H25NO3S2/c1-14-5-10-25-18(14)17(19-15(2)6-11-26-19)13-24-9-8-21-7-3-4-16(12-21)20(22)23/h5-6,10-11,13,16H,3-4,7-9,12H2,1-2H3,(H,22,23)/t16-/m1/s1
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n/an/a 14n/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