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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 3' and Ligand = 'BDBM50577088'   
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 3


(Mus musculus)
BDBM50577088
PNG
(CHEMBL4860085)
Show SMILES COc1ccc(cc1)C(OCCN1CCC[C@@H](C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(cc1)-c1ccc(C=O)cc1 |r|
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.29E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse GAT4 expressed in human HEK293 cell line assessed as inhibition of [3H]GABA uptake measured after 40 mins by LC-ESI-MS/MS analysi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113512
BindingDB Entry DOI: 10.7270/Q2R21568
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3


(Mus musculus)
BDBM50577088
PNG
(CHEMBL4860085)
Show SMILES COc1ccc(cc1)C(OCCN1CCC[C@@H](C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(cc1)-c1ccc(C=O)cc1 |r|
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.37E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse GAT3 expressed in human HEK293 cell line assessed as inhibition of [3H]GABA uptake measured after 40 mins by LC-ESI-MS/MS analysi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113512
BindingDB Entry DOI: 10.7270/Q2R21568
More data for this
Ligand-Target Pair