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Compile Data Set for Download or QSAR

Found 8 hits of ic50 for monomerid = 50525189   
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


(Homo sapiens (Human))
BDBM50525189
PNG
(CHEMBL4458674)
Show SMILES OC(=O)CC1CNC=N1 |c:7|
Show InChI InChI=1S/C5H8N2O2/c8-5(9)1-4-2-6-3-7-4/h3-4H,1-2H2,(H,6,7)(H,8,9)
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PC sid
UniChem
Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of human GAT3 expressed in Flp-In CHO cells assessed as reduction in [3H]GABA uptake incubated for 3 mins by liquid scintillation counting...


J Med Chem 62: 5797-5809 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00026
BindingDB Entry DOI: 10.7270/Q2D2222H
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3


(Homo sapiens (Human))
BDBM50525189
PNG
(CHEMBL4458674)
Show SMILES OC(=O)CC1CNC=N1 |c:7|
Show InChI InChI=1S/C5H8N2O2/c8-5(9)1-4-2-6-3-7-4/h3-4H,1-2H2,(H,6,7)(H,8,9)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of human GAT3 expressed in Flp-In CHO cells assessed as reduction in [3H]GABA uptake incubated for 3 mins by liquid scintillation counting...


J Med Chem 62: 5797-5809 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00026
BindingDB Entry DOI: 10.7270/Q2D2222H
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Homo sapiens (Human))
BDBM50525189
PNG
(CHEMBL4458674)
Show SMILES OC(=O)CC1CNC=N1 |c:7|
Show InChI InChI=1S/C5H8N2O2/c8-5(9)1-4-2-6-3-7-4/h3-4H,1-2H2,(H,6,7)(H,8,9)
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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.90E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of human GAT2 expressed in Flp-In CHO cells assessed as reduction in [3H]GABA uptake incubated for 3 mins by liquid scintillation counting...


J Med Chem 62: 5797-5809 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00026
BindingDB Entry DOI: 10.7270/Q2D2222H
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Homo sapiens (Human))
BDBM50525189
PNG
(CHEMBL4458674)
Show SMILES OC(=O)CC1CNC=N1 |c:7|
Show InChI InChI=1S/C5H8N2O2/c8-5(9)1-4-2-6-3-7-4/h3-4H,1-2H2,(H,6,7)(H,8,9)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.16E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of human GAT2 expressed in Flp-In CHO cells assessed as reduction in [3H]GABA uptake incubated for 3 mins by liquid scintillation counting...


J Med Chem 62: 5797-5809 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00026
BindingDB Entry DOI: 10.7270/Q2D2222H
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Homo sapiens (Human))
BDBM50525189
PNG
(CHEMBL4458674)
Show SMILES OC(=O)CC1CNC=N1 |c:7|
Show InChI InChI=1S/C5H8N2O2/c8-5(9)1-4-2-6-3-7-4/h3-4H,1-2H2,(H,6,7)(H,8,9)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.30E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of human BGT1 expressed in Flp-In CHO cells assessed as reduction in [3H]GABA uptake incubated for 3 mins by liquid scintillation counting...


J Med Chem 62: 5797-5809 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00026
BindingDB Entry DOI: 10.7270/Q2D2222H
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Homo sapiens (Human))
BDBM50525189
PNG
(CHEMBL4458674)
Show SMILES OC(=O)CC1CNC=N1 |c:7|
Show InChI InChI=1S/C5H8N2O2/c8-5(9)1-4-2-6-3-7-4/h3-4H,1-2H2,(H,6,7)(H,8,9)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.94E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of human BGT1 expressed in Flp-In CHO cells assessed as reduction in [3H]GABA uptake incubated for 3 mins by liquid scintillation counting...


J Med Chem 62: 5797-5809 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00026
BindingDB Entry DOI: 10.7270/Q2D2222H
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Homo sapiens (Human))
BDBM50525189
PNG
(CHEMBL4458674)
Show SMILES OC(=O)CC1CNC=N1 |c:7|
Show InChI InChI=1S/C5H8N2O2/c8-5(9)1-4-2-6-3-7-4/h3-4H,1-2H2,(H,6,7)(H,8,9)
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.14E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of human GAT1 expressed in Flp-In CHO cells assessed as reduction in [3H]GABA uptake incubated for 3 mins by liquid scintillation counting...


J Med Chem 62: 5797-5809 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00026
BindingDB Entry DOI: 10.7270/Q2D2222H
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Homo sapiens (Human))
BDBM50525189
PNG
(CHEMBL4458674)
Show SMILES OC(=O)CC1CNC=N1 |c:7|
Show InChI InChI=1S/C5H8N2O2/c8-5(9)1-4-2-6-3-7-4/h3-4H,1-2H2,(H,6,7)(H,8,9)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.14E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of human GAT1 expressed in Flp-In CHO cells assessed as reduction in [3H]GABA uptake incubated for 3 mins by liquid scintillation counting...


J Med Chem 62: 5797-5809 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00026
BindingDB Entry DOI: 10.7270/Q2D2222H
More data for this
Ligand-Target Pair