BDBM16423 2-(2-methylphenyl)acetic acid::2-Methylphenylacetic acid::NSC16053::o-Tolylacetic acid

SMILES Cc1ccccc1CC(O)=O

InChI Key InChIKey=RZWGTXHSYZGXKF-UHFFFAOYSA-N

Data  2 KI

  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 2 hits for monomerid = 16423   

TargetAldo-keto reductase family 1 member B1 [W220Y,C299A](Human)
Medical College of Wiscosin

LigandPNGBDBM16423(2-(2-methylphenyl)acetic acid | 2-Methylphenylacet...)
Affinity DataKi:  6.20E+4nMAssay 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
TargetAldo-keto reductase family 1 member B1(Human)
Medical College of Wiscosin

LigandPNGBDBM16423(2-(2-methylphenyl)acetic acid | 2-Methylphenylacet...)
Affinity DataKi:  8.00E+4nM ΔG°:  -5.59kcal/molepH: 7.0 T: 25°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