BDBM50572162 CHEMBL1352020::US20240317691, Compound 107

SMILES CCc1ccc(CSc2nccn2-c2ccccc2)cc1

InChI Key InChIKey=IUNURSMEOCMLOG-UHFFFAOYSA-N

Data  1 KI  9 IC50  1 EC50

  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 = 50572162   

TargetPolyunsaturated fatty acid lipoxygenase ALOX15B(Human)
University of California Santa Cruz

Curated by ChEMBL
LigandPNGBDBM50572162(CHEMBL1352020 | US20240317691, Compound 107)
Affinity DataIC50: 870nMAssay Description:Inhibition of human 15-LOX-2 assessed as enzymatic rate using arachidonic acid as substrate by UV/Vis spectrophotometric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2022
Entry Details Article
PubMed
TargetPolyunsaturated fatty acid lipoxygenase ALOX15(Human)
University of California Santa Cruz

Curated by ChEMBL
LigandPNGBDBM50572162(CHEMBL1352020 | US20240317691, Compound 107)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of human 15-LOX-1 assessed as enzymatic rate using arachidonic acid as substrate by UV/Vis spectrophotometric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2022
Entry Details Article
PubMed
TargetPolyunsaturated fatty acid lipoxygenase ALOX12(Human)
University of California Santa Cruz

Curated by ChEMBL
LigandPNGBDBM50572162(CHEMBL1352020 | US20240317691, Compound 107)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human 12-LOX assessed as enzymatic rate using arachidonic acid as substrate by UV/Vis spectrophotometric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2022
Entry Details Article
PubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Human)
University of California Santa Cruz

Curated by ChEMBL
LigandPNGBDBM50572162(CHEMBL1352020 | US20240317691, Compound 107)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human 5-LOX assessed as enzymatic rate using arachidonic acid as substrate by UV/Vis spectrophotometric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2022
Entry Details Article
PubMed
TargetPolyunsaturated fatty acid lipoxygenase ALOX8(Mouse)
University of California Santa Cruz

Curated by ChEMBL
LigandPNGBDBM50572162(CHEMBL1352020 | US20240317691, Compound 107)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of mouse 15-LOX2 assessed as enzymatic rate using arachidonic acid as substrate by UV/Vis spectrophotometric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2022
Entry Details Article
PubMed
TargetProstaglandin G/H synthase 1(Human)
University of California Santa Cruz

Curated by ChEMBL
LigandPNGBDBM50572162(CHEMBL1352020 | US20240317691, Compound 107)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human recombinant COX-1 assessed as enzymatic rate using arachidonic acid as substrate by UV/Vis spectrophotometric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2022
Entry Details Article
PubMed
TargetProstaglandin G/H synthase 2(Human)
University of California Santa Cruz

Curated by ChEMBL
LigandPNGBDBM50572162(CHEMBL1352020 | US20240317691, Compound 107)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human recombinant COX-2 assessed as enzymatic rate using arachidonic acid as substrate by UV/Vis spectrophotometric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2022
Entry Details Article
PubMed
TargetPolyunsaturated fatty acid lipoxygenase ALOX15B(Human)
University of California Santa Cruz

Curated by ChEMBL
LigandPNGBDBM50572162(CHEMBL1352020 | US20240317691, Compound 107)
Affinity DataEC50:  1.30E+3nMAssay Description:Inhibition of human 15-LOX-2 expressed in HEK293T cells assessed as a reduction in 15-HETE production using arachidonic acid as substrate incubated f...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2022
Entry Details Article
PubMed
TargetPolyunsaturated fatty acid lipoxygenase ALOX15B(Human)
University of California Santa Cruz

Curated by ChEMBL
LigandPNGBDBM50572162(CHEMBL1352020 | US20240317691, Compound 107)
Affinity DataIC50: 870nMAssay Description:The full IC50 experiments were done with at least five different inhibitor concentrations. All reaction mixtures were 2 mL in volume and constantly s...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/28/2025
Entry Details
Go to US Patent

TargetPolyunsaturated fatty acid lipoxygenase ALOX15B(Human)
University of California Santa Cruz

Curated by ChEMBL
LigandPNGBDBM50572162(CHEMBL1352020 | US20240317691, Compound 107)
Affinity DataIC50: 870nMAssay Description:The full IC50 experiments were done with at least five different inhibitor concentrations. All reaction mixtures were 2 mL in volume and constantly s...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/28/2025
Entry Details
Go to US Patent

TargetPolyunsaturated fatty acid lipoxygenase ALOX15B(Human)
University of California Santa Cruz

Curated by ChEMBL
LigandPNGBDBM50572162(CHEMBL1352020 | US20240317691, Compound 107)
Affinity DataKi:  900nMAssay Description:Competitive inhibition of human 15-LOX-2 assessed as equilibrium dissociation constant from catalytic site by measuring 15-HpETE by Dixon plots and D...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2022
Entry Details Article
PubMed