BDBM13987 1:1 racemic mixture::2-{4-[2-acetamido-2-({4-[3-hydroxy-2-(methoxycarbonyl)phenoxy]butyl}carbamoyl)ethyl]-2-hydroxyphenoxy}acetic acid::phosphotyrosyl mimetic 20

SMILES CC(=O)N[C@@H](Cc1ccc(c(c1)O)OCC(=O)O)C(=O)NCCCCOc2cccc(c2C(=O)OC)O

InChI Key InChIKey=QEANZBIJPCAREV-UHFFFAOYSA-N

Data  3 KI

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 13987   

TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM13987(2-{4-[2-acetamido-2-({4-[3-hydroxy-2-(methoxycarbo...)
Affinity DataKi:  7.94E+3nMAssay Description:Inhibition of PTP1BMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM13987(2-{4-[2-acetamido-2-({4-[3-hydroxy-2-(methoxycarbo...)
Affinity DataKi:  9.00E+3nM ΔG°:  -6.81kcal/molepH: 7.5 T: 2°CAssay Description:The phosphatase activity resulted in the formation of the colored product p-nitrophenol, which was continuously monitored at 405 nm every 30 s for 15...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2007
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein phosphatase non-receptor type 2(Human)
Abbott Laboratories

LigandPNGBDBM13987(2-{4-[2-acetamido-2-({4-[3-hydroxy-2-(methoxycarbo...)
Affinity DataKi:  1.82E+5nM ΔG°:  -5.05kcal/molepH: 7.5 T: 2°CAssay Description:The phosphatase activity resulted in the formation of the colored product p-nitrophenol, which was continuously monitored at 405 nm every 30 s for 15...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2007
Entry Details Article
PubMed