BDBM16435 5-(1,2-dithiolan-3-yl)pentanamide::5-(dithiolan-3-yl)pentanamide::D,L-Lipoamide::Thioctamide

SMILES NC(=O)CCCCC1CCSS1

InChI Key InChIKey=FCCDDURTIIUXBY-UHFFFAOYSA-N

Data  1 KI  1 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 2 hits for monomerid = 16435   

TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
Medical College of Wiscosin

LigandPNGBDBM16435(5-(1,2-dithiolan-3-yl)pentanamide | 5-(dithiolan-3...)
Affinity DataKi:  8.60E+4nM ΔG°:  -5.54kcal/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 DepthDetails ArticlePubMed
TargetTAR DNA-binding protein 43(Homo sapiens)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM16435(5-(1,2-dithiolan-3-yl)pentanamide | 5-(dithiolan-3...)
Affinity DataIC50:  2.00E+4nMAssay Description:Inhibition of TDP-43 (unknown origin) binding to RNAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed