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SMILES: NCC(O)C(O)=O

InChI Key:

PDB links: 5 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50563978   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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)
BDBM50563978
PNG
(CHEMBL4798809)
Show SMILES NCC(O)C(O)=O
KEGG

UniProtKB/SwissProt

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MCE
KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 5.01E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse GAT4 expressed in HEK293 cell line assessed as inhibition of [3H]GABA uptake measured after 35 mins by liquid scintillation metho...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)
BDBM50563978
PNG
(CHEMBL4798809)
Show SMILES NCC(O)C(O)=O
PDB

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KEGG

UniProtKB/SwissProt

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MCE
KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 2.51E+6n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse GAT1 expressed in HEK293 cell line assessed as inhibition of [3H]GABA uptake measured after 35 mins by liquid scintillation metho...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Mus musculus)
BDBM50563978
PNG
(CHEMBL4798809)
Show SMILES NCC(O)C(O)=O
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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 2.29E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse GAT2 expressed in HEK293 cell line assessed as inhibition of [3H]GABA uptake measured after 35 mins by liquid scintillation metho...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3


(Mus musculus)
BDBM50563978
PNG
(CHEMBL4798809)
Show SMILES NCC(O)C(O)=O
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 3.98E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse GAT3 expressed in HEK293 cell line assessed as inhibition of [3H]GABA uptake measured after 35 mins by liquid scintillation metho...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair