BDBM16426 2-(2-hydroxyphenyl)acetic acid::2-Hydroxyphenylacetic acid::Benzeneacetic acid::CHEMBL240714

SMILES OC(=O)Cc1ccccc1O

InChI Key InChIKey=CCVYRRGZDBSHFU-UHFFFAOYSA-N

Data  4 KI  2 IC50

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 16426   

TargetCalcium/calmodulin-dependent protein kinase type II subunit alpha(Rat)
University of Copenhagen

Curated by ChEMBL

LigandBDBM16426(2-(2-hydroxyphenyl)acetic acid | 2-Hydroxyphenylac...)Copy SMILESCopy InChI

Affinity DataKi:  2.00E+3nMAssay Description:Inhibition of [3H]NCS-382 binding to CaMK2alpha in rat cerebrocortical membranesMore data for this Ligand-Target Pair

Target InfoPDBReactome pathway
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseChEBI
CHEMBLKEGGMMDBPC cidPC sidPDBPatents

In DepthDetails PubMed
Copy BDB DOI
Copy reaction URL

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

LigandBDBM16426(2-(2-hydroxyphenyl)acetic acid | 2-Hydroxyphenylac...)Copy SMILESCopy InChI

Affinity DataKi:  3.50E+3nM ΔG°:  -7.44kcal/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

Target InfoPDBReactome pathway
UniProtKB/SwissProt
antibodypediaGoogleScholar

Ligand InfoPurchaseChEBI
CHEMBLKEGGMMDBPC cidPC sidPDBPatents

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI
Copy reaction URL

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

LigandBDBM16426(2-(2-hydroxyphenyl)acetic acid | 2-Hydroxyphenylac...)Copy SMILESCopy InChI

Affinity DataKi:  1.81E+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

Target InfoPDBMMDB
UniProtKB/SwissProt
B.MOADGoogleScholar

Ligand InfoPurchaseChEBI
CHEMBLKEGGMMDBPC cidPC sidPDBPatents

In DepthDetails ArticlePubMedMMDB
PDB3D Structure (crystal)
Copy BDB DOI
Copy reaction URL

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

LigandBDBM16426(2-(2-hydroxyphenyl)acetic acid | 2-Hydroxyphenylac...)Copy SMILESCopy InChI

Affinity DataKi:  3.20E+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

Target InfoPDBMMDB
UniProtKB/SwissProt
B.MOADGoogleScholar

Ligand InfoPurchaseChEBI
CHEMBLKEGGMMDBPC cidPC sidPDBPatents

In DepthDetails ArticlePubMedMMDB
PDB3D Structure (crystal)
Copy BDB DOI
Copy reaction URL

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

LigandBDBM16426(2-(2-hydroxyphenyl)acetic acid | 2-Hydroxyphenylac...)Copy SMILESCopy InChI

Affinity DataIC50:  3.50E+3nMAssay Description:Inhibition of aldose reductaseMore data for this Ligand-Target Pair

Target InfoPDBReactome pathway
UniProtKB/SwissProt
antibodypediaGoogleScholar

Ligand InfoPurchaseChEBI
CHEMBLKEGGMMDBPC cidPC sidPDBPatents

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI
Copy reaction URL

TargetCalcium/calmodulin-dependent protein kinase type II subunit alpha(Rat)
University of Copenhagen

Curated by ChEMBL

LigandBDBM16426(2-(2-hydroxyphenyl)acetic acid | 2-Hydroxyphenylac...)Copy SMILESCopy InChI

Affinity DataIC50:  2.10nMAssay Description:Inhibition of [3H]NCS-382 binding to CaMK2alpha in rat cerebrocortical membranesMore data for this Ligand-Target Pair

Target InfoPDBReactome pathway
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseChEBI
CHEMBLKEGGMMDBPC cidPC sidPDBPatents

In DepthDetails PubMed
Copy BDB DOI
Copy reaction URL