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BDBM50023575 4-hydroxy-butyric acid::4-hydroxybutanoic acid::4-hydroxybutyric acid::CHEMBL1342::GHB::Gamma Hydroxybutyric Acid::Xyrem::gamma-hydroxybutyric acid

SMILES: OCCCC(O)=O

InChI Key: InChIKey=SJZRECIVHVDYJC-UHFFFAOYSA-N

Data: 1 KI  2 IC50

PDB links: 172 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 3 hits for monomerid = 50023575   
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
Proton-coupled amino acid transporter 1


(Homo sapiens)
BDBM50023575
PNG
(4-hydroxy-butyric acid | 4-hydroxybutanoic acid | ...)
Show SMILES OCCCC(O)=O
Show InChI InChI=1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7)
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KEGG

UniProtKB/SwissProt

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CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
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Patents


Similars

Article
PubMed
6.50E+7n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of human PAT1-mediated L-[3H]proline uptake in human Caco2 cells after 10 mins by liquid scintillation counting


Bioorg Med Chem 19: 6409-18 (2011)

Checked by Author
Article DOI: 10.1016/j.bmc.2011.08.058
BindingDB Entry DOI: 10.7270/Q2NZ882D
More data for this
Ligand-Target Pair
Gamma hydroxybutyric, GHB


(RAT)
BDBM50023575
PNG
(4-hydroxy-butyric acid | 4-hydroxybutanoic acid | ...)
Show SMILES OCCCC(O)=O
Show InChI InChI=1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7)
GoogleScholar
AffyNet 
CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 6.60E+3n/an/an/an/an/an/a



Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Binding affinity towards [3H]-GHB binding site


J Med Chem 31: 893-7 (1988)


Article DOI: 10.1021/jm00400a001
BindingDB Entry DOI: 10.7270/Q2JM28NC
More data for this
Ligand-Target Pair
Gamma hydroxybutyric, GHB


(RAT)
BDBM50023575
PNG
(4-hydroxy-butyric acid | 4-hydroxybutanoic acid | ...)
Show SMILES OCCCC(O)=O
Show InChI InChI=1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7)
GoogleScholar
AffyNet 
CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]-NCS-382 (16 nM) from GHB receptor of rat cerebrocortical membranes


Bioorg Med Chem Lett 15: 3201-2 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.011
BindingDB Entry DOI: 10.7270/Q2MP52TK
More data for this
Ligand-Target Pair