BDBM50106731 (+)-alpha-Lipoic acid::(R)-(+)-lipoic acid::(R)-1,2-Dithiolane-3-pentanoic acid::(R)-lipoic acid::5-[(3R)-1,2-dithiolan-3-yl]pentanoic acid::CHEMBL134342::Lipoic acid::Thioctic acid::Thioctic acid d-form::alpha-Lipoic acid

SMILES OC(=O)CCCC[C@@H]1CCSS1

InChI Key InChIKey=AGBQKNBQESQNJD-SSDOTTSWSA-N

Data  3 IC50  1 EC50

PDB links: 10 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50106731   

TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
National Institutes Of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM50106731((+)-alpha-Lipoic acid | (R)-(+)-lipoic acid | (R)-...)
Affinity DataEC50:  2.80E+3nMAssay Description:Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTAR DNA-binding protein 43(Homo sapiens)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50106731((+)-alpha-Lipoic acid | (R)-(+)-lipoic acid | (R)-...)
Affinity DataIC50:  2.00E+4nMAssay Description:Inhibition of TDP-43 (unknown origin) binding to RNAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50106731((+)-alpha-Lipoic acid | (R)-(+)-lipoic acid | (R)-...)
Affinity DataIC50: >1.00E+6nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
University Of Bologna

Curated by ChEMBL
LigandPNGBDBM50106731((+)-alpha-Lipoic acid | (R)-(+)-lipoic acid | (R)-...)
Affinity DataIC50:  1nMAssay Description:Inhibition of human AchEMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed