BDBM10515 5-(1,2-dithiolan-3-yl)pentanoic acid::CHEMBL33864::D,L-Lipoic acid::D,L-Thioctic acid::cid_864::lipoic acid (LA)

SMILES OC(=O)CCCCC1CCSS1

InChI Key InChIKey=AGBQKNBQESQNJD-UHFFFAOYSA-N

Data  1 KI  5 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 10515   

TargetAcetylcholinesterase(Human)
University of Bologna

LigandPNGBDBM10515(5-(1,2-dithiolan-3-yl)pentanoic acid | D,L-Lipoic ...)
Affinity DataIC50: 1.00E+6nMpH: 8.0 T: 2°CAssay Description:The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/1/2006
Entry Details Article
PubMed
TargetCholinesterase(Human)
University of Bologna

LigandPNGBDBM10515(5-(1,2-dithiolan-3-yl)pentanoic acid | D,L-Lipoic ...)
Affinity DataIC50: 1.00E+6nMpH: 8.0 T: 2°CAssay Description:The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/1/2006
Entry Details Article
PubMed
LigandPNGBDBM10515(5-(1,2-dithiolan-3-yl)pentanoic acid | D,L-Lipoic ...)
Affinity DataIC50: 1.66E+4nMAssay Description:Dose Response Confirmation for Small Molecule Inhibitors of Eukaryotic Translation Initiation NIH Molecular Libraries Screening Centers Network [MLSC...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2011
Entry Details
PCBioAssay
TargetPhosphotransferase(Trypanosoma brucei brucei (strain 927/4 GUTat10.1))
University of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM10515(5-(1,2-dithiolan-3-yl)pentanoic acid | D,L-Lipoic ...)
Affinity DataIC50: 201nMAssay Description:Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/28/2011
Entry Details
PCBioAssay
TargetSUMO-activating enzyme subunit 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM10515(5-(1,2-dithiolan-3-yl)pentanoic acid | D,L-Lipoic ...)
Affinity DataIC50: 4.74E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/9/2011
Entry Details
PCBioAssay
TargetAldo-keto reductase family 1 member B1(Human)
Medical College of Wiscosin

LigandPNGBDBM10515(5-(1,2-dithiolan-3-yl)pentanoic acid | D,L-Lipoic ...)
Affinity DataKi:  2.55E+4nM ΔG°:  -6.26kcal/molepH: 7.0 T: 2°CAssay Description:The production of NADPH from NADP+ and benzyl alcohol and xylitol was monitored by an increase in NADPH fluorescence (ex: 340 nm; em: 460 nm) using a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/1/2007
Entry Details Article
PubMed