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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium- and chloride-dependent GABA transporter 1' and Ligand = 'BDBM50069405'   
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)
BDBM50069405
PNG
(CHEMBL3403598)
Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12)-[#6]-[#6]-[#6](-[#8])=O
Show InChI InChI=1S/C22H25NO2/c1-23(16-14-22(24)25)15-6-11-21-19-9-4-2-7-17(19)12-13-18-8-3-5-10-20(18)21/h2-5,7-11H,6,12-16H2,1H3,(H,24,25)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.76E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of mouse mGAT1 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...


Bioorg Med Chem 23: 2480-8 (2015)


Article DOI: 10.1016/j.bmc.2015.03.060
BindingDB Entry DOI: 10.7270/Q2KH0Q0R
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)
BDBM50069405
PNG
(CHEMBL3403598)
Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12)-[#6]-[#6]-[#6](-[#8])=O
Show InChI InChI=1S/C22H25NO2/c1-23(16-14-22(24)25)15-6-11-21-19-9-4-2-7-17(19)12-13-18-8-3-5-10-20(18)21/h2-5,7-11H,6,12-16H2,1H3,(H,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.77E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of mouse mGAT1 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...


Bioorg Med Chem 23: 2480-8 (2015)


Article DOI: 10.1016/j.bmc.2015.03.060
BindingDB Entry DOI: 10.7270/Q2KH0Q0R
More data for this
Ligand-Target Pair