BDBM13978 ({4-[2-acetamido-2-({4-[3-hydroxy-2-(methoxycarbonyl)phenoxy]butyl}carbamoyl)ethyl]phenyl}carbamoyl)formic acid::1:1 racemic mixture::phosphotyrosyl mimetic 8a

SMILES COC(=O)c1c(O)cccc1OCCCCNC(=O)C(Cc1ccc(NC(=O)C(O)=O)cc1)NC(C)=O

InChI Key InChIKey=NFMSQLAKBDDECA-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 13978   

LigandPNGBDBM13978(1:1 racemic mixture | ({4-[2-acetamido-2-({4-[3-hy...)
Affinity DataKi:  6.10E+3nM ΔG°:  -7.04kcal/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
LigandPNGBDBM13978(1:1 racemic mixture | ({4-[2-acetamido-2-({4-[3-hy...)
Affinity DataKi:  6.10E+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