BDBM13977 ({4-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-2-({4-[3-hydroxy-2-(methoxycarbonyl)phenoxy]butyl}carbamoyl)ethyl]phenyl}carbamoyl)formic acid::phosphotyrosyl mimetic 8

SMILES COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(NC(=O)C(O)=O)cc1)NC(=O)OC(C)(C)C

InChI Key InChIKey=QYVDEYRBQUXSCR-UHFFFAOYSA-N

Data  5 KI

  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 5 hits for monomerid = 13977   

LigandPNGBDBM13977(({4-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-2-({4-[...)
Affinity DataKi:  8.80E+3nM ΔG°:  -6.82kcal/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
TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Aurigene Discovery Technologies

Curated by ChEMBL
LigandPNGBDBM13977(({4-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-2-({4-[...)
Affinity DataKi:  8.80E+3nMAssay Description:Inhibition of PTP1B (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/12/2014
Entry Details Article
PubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Aurigene Discovery Technologies

Curated by ChEMBL
LigandPNGBDBM13977(({4-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-2-({4-[...)
Affinity DataKi:  8.80E+3nMAssay Description:Inhibition of PTP1B (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2020
Entry Details Article

TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Aurigene Discovery Technologies

Curated by ChEMBL
LigandPNGBDBM13977(({4-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-2-({4-[...)
Affinity DataKi:  8.91E+3nMAssay Description:Inhibition of PTP1B (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2020
Entry Details Article

TargetTyrosine-protein phosphatase non-receptor type 2(Human)
Abbott Laboratories

LigandPNGBDBM13977(({4-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-2-({4-[...)
Affinity DataKi:  1.41E+5nM ΔG°:  -5.20kcal/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