BDBM50252422 CHEBI:63672::CHEMBL498917

SMILES COc1cc(cc(c1)O)/C=C/c2ccc(cc2)O

InChI Key InChIKey=KUWZXOMQXYWKBS-UHFFFAOYSA-N

Data  3 KI  2 IC50  2 Kd

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50252422   

TargetCytochrome P450 1A1(Human)
Laval University

Curated by ChEMBL
LigandPNGBDBM50252422(CHEMBL498917 | CHEBI:63672 | US20240398793, Compou...)
Affinity DataKi:  130nMAssay Description:Inhibition of recombinant human CYP1A1 expressed in supersomes coexpressing NADPH-CYP reductase using 7-ethoxyresorufin as substrate after 15 mins in...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/2/2019
Entry Details Article
PubMed
TargetProstaglandin G/H synthase 2(Human)
National Institute of Pharmaceutical Education and Research

Curated by ChEMBL
LigandPNGBDBM50252422(CHEMBL498917 | CHEBI:63672 | US20240398793, Compou...)
Affinity DataIC50: 250nMAssay Description:Inhibition of recombinant human COX-2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition and measured after 2...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Laval University

Curated by ChEMBL
LigandPNGBDBM50252422(CHEMBL498917 | CHEBI:63672 | US20240398793, Compou...)
Affinity DataKi:  900nMAssay Description:Inhibition of recombinant human CYP1B1 expressed in supersomes coexpressing NADPH-CYP reductase using 7-ethoxyresorufin as substrate after 15 mins in...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/2/2019
Entry Details Article
PubMed
TargetTransthyretin(Human)
University of Toyama

Curated by ChEMBL
LigandPNGBDBM50252422(CHEMBL498917 | CHEBI:63672 | US20240398793, Compou...)
Affinity DataKd:  1.20E+3nMAssay Description:Binding affinity to recombinant N-terminal hexa-histidine tagged TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as quenching...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTransthyretin(Human)
University of Toyama

Curated by ChEMBL
LigandPNGBDBM50252422(CHEMBL498917 | CHEBI:63672 | US20240398793, Compou...)
Affinity DataKd:  2.40E+3nMAssay Description:Binding affinity to N-terminal hexa-histidine tagged TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as dissociation constant...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTransthyretin(Human)
University of Toyama

Curated by ChEMBL
LigandPNGBDBM50252422(CHEMBL498917 | CHEBI:63672 | US20240398793, Compou...)
Affinity DataKi:  3.40E+3nMAssay Description:Inhibition of recombinant N-terminal hexa-histidine tagged TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as acid mediated a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetLeukotriene A-4 hydrolase(Human)
Celltaxis

US Patent
LigandPNGBDBM50252422(CHEMBL498917 | CHEBI:63672 | US20240398793, Compou...)
Affinity DataIC50: 3.90E+3nMAssay Description:The hydrolase-homogeneous time resolved fluorescence assay is a two-step assay that measures the hydrolysis of LTA4 to LTB4 by analyzing the amount o...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/16/2025
Entry Details
US Patent

TargetPolyunsaturated fatty acid 5-lipoxygenase(Human)
National Institute of Pharmaceutical Education and Research

Curated by ChEMBL
LigandPNGBDBM50252422(CHEMBL498917 | CHEBI:63672 | US20240398793, Compou...)
Affinity DataIC50: 4.01E+3nMAssay Description:Inhibition of recombinant human 5-LOX using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition and measured after ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed