BDBM16420 (2S)-2-hydroxy-2-phenylacetic acid::CHEMBL58910::L-Mandelic acid::S-(+)-Mandelic acid::cid_1292::cid_439616

SMILES O[C@H](C(O)=O)c1ccccc1

InChI Key InChIKey=IWYDHOAUDWTVEP-UHFFFAOYSA-N

Data  2 KI  4 IC50

PDB links: 5 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 16420   

TargetTyrosine-protein phosphatase non-receptor type 7(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM16420(cid_439616 | cid_1292 | CHEMBL58910 | (2S)-2-hydro...)
Affinity DataIC50: 1.00E+5nMAssay 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 DepthDetails
PCBioAssay
TargetTyrosine-protein phosphatase non-receptor type 7(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM16420(cid_439616 | cid_1292 | CHEMBL58910 | (2S)-2-hydro...)
Affinity DataIC50: 1.00E+5nMAssay 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 DepthDetails
PCBioAssay
TargetE3 ubiquitin-protein ligase XIAP(Human)
Sanford-Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM16420(cid_439616 | cid_1292 | CHEMBL58910 | (2S)-2-hydro...)
Affinity DataIC50: 1.00E+5nMAssay 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 DepthDetails
PCBioAssay
TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Brown University

Curated by ChEMBL
LigandPNGBDBM16420(cid_439616 | cid_1292 | CHEMBL58910 | (2S)-2-hydro...)
Affinity DataIC50: 4.90E+6nMAssay Description:Inhibitory activity against Yersinia Protein-tyrosine phosphatase 1BMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAldo-keto reductase family 1 member B1(Human)
Medical College of Wiscosin

LigandPNGBDBM16420(cid_439616 | cid_1292 | CHEMBL58910 | (2S)-2-hydro...)
Affinity DataKi:  6.21E+5nM ΔG°:  -4.37kcal/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 Article
PubMed
TargetMandelate racemase(Pseudomonas putida (g-Proteobacteria))
Dalhousie University

Curated by ChEMBL
LigandPNGBDBM16420(cid_439616 | cid_1292 | CHEMBL58910 | (2S)-2-hydro...)
Affinity DataKi:  5.70E+5nMpH: 7.5Assay Description:Inhibition constant against Mandelate racemase from Pseudomonas putida at pH 7.5More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)