BDBM13990 5-{2-fluoro-5-[(1E)-3-[3-hydroxy-2-(methoxycarbonyl)phenoxy]prop-1-en-1-yl]phenyl}-1,2-oxazole-3-carboxylic acid::CHEMBL117869::Isoxazole carboxylic acid analog 1

SMILES COC(=O)c1c(O)cccc1OC\C=C\c1ccc(F)c(c1)-c1cc(no1)C(O)=O

InChI Key InChIKey=QKHWJUMLYAYZFS-ONEGZZNKSA-N

Data  13 KI  3 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 13990   

TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Aristotle University of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM13990(5-{2-fluoro-5-[(1E)-3-[3-hydroxy-2-(methoxycarbony...)
Affinity DataKi:  6.90nMAssay Description:Inhibition of PTP1B (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In DepthDetails PubMedMMDB
PDB3D3D Structure (crystal)

TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Aristotle University of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM13990(5-{2-fluoro-5-[(1E)-3-[3-hydroxy-2-(methoxycarbony...)
Affinity DataKi:  6.31E+3nMAssay Description:Inhibition of PTP1BMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB
PDB3D3D Structure (crystal)

LigandPNGBDBM13990(5-{2-fluoro-5-[(1E)-3-[3-hydroxy-2-(methoxycarbony...)
Affinity DataKi:  6.90E+3nM ΔG°:  -6.97kcal/molepH: 7.5 T: 22°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 DepthDetails ArticlePubMedDrugBank
MMDB
PDB3D3D Structure (crystal)

TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Aristotle University of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM13990(5-{2-fluoro-5-[(1E)-3-[3-hydroxy-2-(methoxycarbony...)
Affinity DataKi:  6.90E+3nMAssay Description:Inhibition of PTP1B (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticleMMDB
PDB3D3D Structure (crystal)

TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Aristotle University of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM13990(5-{2-fluoro-5-[(1E)-3-[3-hydroxy-2-(methoxycarbony...)
Affinity DataKi:  6.90E+3nMAssay Description:Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB
PDB3D3D Structure (crystal)

TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Aristotle University of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM13990(5-{2-fluoro-5-[(1E)-3-[3-hydroxy-2-(methoxycarbony...)
Affinity DataKi:  6.90E+3nMAssay Description:Binding affinity for Protein-tyrosine phosphatase 1BMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB
PDB3D3D Structure (crystal)

TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Aristotle University of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM13990(5-{2-fluoro-5-[(1E)-3-[3-hydroxy-2-(methoxycarbony...)
Affinity DataKi:  6.90E+3nMAssay Description:Inhibition of PTP1BMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB
PDB3D3D Structure (crystal)

TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Aristotle University of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM13990(5-{2-fluoro-5-[(1E)-3-[3-hydroxy-2-(methoxycarbony...)
Affinity DataKi:  6.92E+3nMAssay Description:Inhibition of PTP1B (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticleMMDB
PDB3D3D Structure (crystal)

TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Aristotle University of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM13990(5-{2-fluoro-5-[(1E)-3-[3-hydroxy-2-(methoxycarbony...)
Affinity DataKi:  7.00E+3nMAssay Description:Inhibition of PTP1B (unknown origin) using pNPP as substrate measured every 30 secs for 15 mins by Michaelis-Menten plot analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB
PDB3D3D Structure (crystal)

TargetTyrosine-protein phosphatase non-receptor type 2(Human)
Advinus Therapeutics

Curated by ChEMBL
LigandPNGBDBM13990(5-{2-fluoro-5-[(1E)-3-[3-hydroxy-2-(methoxycarbony...)
Affinity DataKi:  1.64E+5nMAssay Description:Inhibition of TCPTPMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetTyrosine-protein phosphatase non-receptor type 2(Human)
Advinus Therapeutics

Curated by ChEMBL
LigandPNGBDBM13990(5-{2-fluoro-5-[(1E)-3-[3-hydroxy-2-(methoxycarbony...)
Affinity DataKi:  1.64E+5nMAssay Description:Inhibitory activity of the compound was determined against T cell protein tyrosine phosphatase (TCPTP)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetTyrosine-protein phosphatase non-receptor type 2(Human)
Advinus Therapeutics

Curated by ChEMBL
LigandPNGBDBM13990(5-{2-fluoro-5-[(1E)-3-[3-hydroxy-2-(methoxycarbony...)
Affinity DataKi:  1.64E+5nM ΔG°:  -5.11kcal/molepH: 7.5 T: 22°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 DepthDetails ArticlePubMed

TargetTyrosine-protein phosphatase non-receptor type 2(Human)
Advinus Therapeutics

Curated by ChEMBL
LigandPNGBDBM13990(5-{2-fluoro-5-[(1E)-3-[3-hydroxy-2-(methoxycarbony...)
Affinity DataKi:  1.64E+5nMAssay Description:Inhibition of TCPTPMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetTyrosine-protein phosphatase non-receptor type 2(Human)
Advinus Therapeutics

Curated by ChEMBL
LigandPNGBDBM13990(5-{2-fluoro-5-[(1E)-3-[3-hydroxy-2-(methoxycarbony...)
Affinity DataIC50:  1.64E+5nMAssay Description:Inhibition of TCPTP (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Aristotle University of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM13990(5-{2-fluoro-5-[(1E)-3-[3-hydroxy-2-(methoxycarbony...)
Affinity DataIC50:  6.90E+3nMAssay Description:Inhibition of human PTP1B (1 to 288 residues) expressed in Escherichia coli BL21 (DE3) cells using p-nitrophenyl phosphate as substrate monitered eve...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB
PDB3D3D Structure (crystal)

TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Aristotle University of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM13990(5-{2-fluoro-5-[(1E)-3-[3-hydroxy-2-(methoxycarbony...)
Affinity DataIC50:  1.10E+5nMAssay Description:Inhibition of PTP1B expressed in Sf9 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB
PDB3D3D Structure (crystal)