BDBM50133280 5-(3-(3-(3-hydroxy-2-(methoxycarbonyl)phenoxy)prop-1-enyl)phenyl)isoxazole-3-carboxylic acid::5-{3-[3-(3-Hydroxy-2-methoxycarbonyl-phenoxy)-propenyl]-phenyl}-isoxazole-3-carboxylic acid::CHEMBL133541::isochroman-3-(S)-carboxylic acid methylester

SMILES COC(=O)c1c(O)cccc1OC\C=C\c1cccc(c1)-c1cc(no1)C(O)=O

InChI Key InChIKey=UBNWPQXLFRMMEI-UHFFFAOYSA-N

Data  9 KI  2 IC50

  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 11 hits for monomerid = 50133280   

LigandPNGBDBM50133280(isochroman-3-(S)-carboxylic acid methylester | 5-{...)
Affinity DataKi:  5.70E+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

LigandPNGBDBM50133280(isochroman-3-(S)-carboxylic acid methylester | 5-{...)
Affinity DataKi:  5.70E+3nMAssay Description:Inhibition of human recombinant PTP1B after 30 mins by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/11/2011
Entry Details Article
PubMed
LigandPNGBDBM50133280(isochroman-3-(S)-carboxylic acid methylester | 5-{...)
Affinity DataKi:  5.70E+3nMAssay Description:Inhibition of PTP1BMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2010
Entry Details Article
PubMed
LigandPNGBDBM50133280(isochroman-3-(S)-carboxylic acid methylester | 5-{...)
Affinity DataKi:  5.70E+3nMAssay Description:Binding affinity against protein tyrosine phosphatase PTB1BMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
LigandPNGBDBM50133280(isochroman-3-(S)-carboxylic acid methylester | 5-{...)
Affinity DataKi:  5.75E+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

LigandPNGBDBM50133280(isochroman-3-(S)-carboxylic acid methylester | 5-{...)
Affinity DataKi:  6.31E+3nMAssay Description:Inhibition of PTP1BMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2013
Entry Details Article
PubMed
TargetTYR_PHOSPHATASE_2 domain-containing protein(Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50133280(isochroman-3-(S)-carboxylic acid methylester | 5-{...)
Affinity DataIC50: 7.00E+3nMAssay Description:Inhibition of Mycobacterium tuberculosis H37Rv His-tagged ptpB expressed in Escherichia coli BL21(DE3) using pNPP as substrate preincubated for 15 mi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
LigandPNGBDBM50133280(isochroman-3-(S)-carboxylic acid methylester | 5-{...)
Affinity DataIC50: 1.10E+4nMAssay Description:Inhibition of human PTP1B using pNPP as substrate preincubated for 15 mins followed by substrate addition and measured after 15 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetTyrosine-protein phosphatase non-receptor type 2(Human)
Glenmark Research Center

Curated by ChEMBL
LigandPNGBDBM50133280(isochroman-3-(S)-carboxylic acid methylester | 5-{...)
Affinity DataKi:  2.02E+5nMAssay Description:Inhibition of human recombinant TCPTP after 30 mins by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/11/2011
Entry Details Article
PubMed
TargetTyrosine-protein phosphatase non-receptor type 2(Human)
Glenmark Research Center

Curated by ChEMBL
LigandPNGBDBM50133280(isochroman-3-(S)-carboxylic acid methylester | 5-{...)
Affinity DataKi:  2.02E+5nMAssay Description:Inhibition of TCPTPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2010
Entry Details Article
PubMed
TargetReceptor-type tyrosine-protein phosphatase alpha(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50133280(isochroman-3-(S)-carboxylic acid methylester | 5-{...)
Affinity DataKi:  2.02E+5nMAssay Description:Inhibitory constant of compound against T cell protein tyrosine phosphatase was determinedMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed