BDBM68853 1-phenyl-2-[[4-(trifluoromethyl)benzyl]thio]imidazole::1-phenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]imidazole::1-phenyl-2-[[4-(trifluoromethyl)phenyl]methylthio]imidazole::1-phenyl-2-{[4-(trifluoromethyl)benzyl]sulfanyl}-1H-imidazole::MLS000327069::SMR000179722::US20240317691, Compound 105::cid_3696046

SMILES FC(F)(F)c1ccc(CSc2nccn2-c2ccccc2)cc1

InChI Key InChIKey=BLFXIQOXFXUXCT-UHFFFAOYSA-N

Data  1 KI  9 IC50  2 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 12 hits for monomerid = 68853   

TargetGlycogen synthase kinase-3 beta(Human)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM68853(cid_3696046 | SMR000179722 | 1-phenyl-2-{[4-(trifl...)
Affinity DataEC50: >3.00E+5nMAssay Description:Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/29/2011
Entry Details
PCBioAssay
TargetPolyunsaturated fatty acid lipoxygenase ALOX15B(Human)
University of California Santa Cruz

Curated by ChEMBL
LigandPNGBDBM68853(cid_3696046 | SMR000179722 | 1-phenyl-2-{[4-(trifl...)
Affinity DataIC50: 340nMAssay 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
LigandPNGBDBM68853(cid_3696046 | SMR000179722 | 1-phenyl-2-{[4-(trifl...)
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
LigandPNGBDBM68853(cid_3696046 | SMR000179722 | 1-phenyl-2-{[4-(trifl...)
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
LigandPNGBDBM68853(cid_3696046 | SMR000179722 | 1-phenyl-2-{[4-(trifl...)
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
LigandPNGBDBM68853(cid_3696046 | SMR000179722 | 1-phenyl-2-{[4-(trifl...)
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
LigandPNGBDBM68853(cid_3696046 | SMR000179722 | 1-phenyl-2-{[4-(trifl...)
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
LigandPNGBDBM68853(cid_3696046 | SMR000179722 | 1-phenyl-2-{[4-(trifl...)
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
LigandPNGBDBM68853(cid_3696046 | SMR000179722 | 1-phenyl-2-{[4-(trifl...)
Affinity DataEC50:  750nMAssay 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
LigandPNGBDBM68853(cid_3696046 | SMR000179722 | 1-phenyl-2-{[4-(trifl...)
Affinity DataIC50: 340nMAssay 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
LigandPNGBDBM68853(cid_3696046 | SMR000179722 | 1-phenyl-2-{[4-(trifl...)
Affinity DataIC50: 340nMAssay 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
LigandPNGBDBM68853(cid_3696046 | SMR000179722 | 1-phenyl-2-{[4-(trifl...)
Affinity DataKi:  700nMAssay 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