BDBM601033 1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole::US11634391, Compound 295

SMILES FC(F)(F)c1c(Cl)ccc(c1Cl)-n1ccnn1

InChI Key InChIKey=XVFXHCLMGYJAQI-UHFFFAOYSA-N

Data  18 IC50  1 EC50

  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 19 hits for monomerid = 601033   

TargetSodium channel protein type 5 subunit alpha(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM601033(1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human Nav1.5More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM601033(1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole...)
Affinity DataIC50: 6.5nMAssay Description:Inhibition of human Notum using OPTS substrate incubated for 1 hr by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM601033(1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole...)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate in presence or absence of NADPHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM601033(1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole...)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate in presence or absence of NADPHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM601033(1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole...)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate in presence or absence of NADPHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 2C19(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM601033(1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole...)
Affinity DataIC50: 8.10E+3nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate in presence or absence of NADPHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM601033(1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole...)
Affinity DataIC50: 1.50E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate in presence or absence of NADPHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 2C8(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM601033(1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole...)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate in presence or absence of NADPHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 2B6(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM601033(1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole...)
Affinity DataIC50: 5.20E+3nMAssay Description:Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate in presence or absence of NADPHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 1A2(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM601033(1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole...)
Affinity DataIC50: 960nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate in presence or absence of NADPHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM601033(1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole...)
Affinity DataIC50: 6.10nMAssay Description:An Echo liquid handler was used to acoustically dispense 500 nL of compounds into dry Greiner 384-well plates (catalog #781076), followed by 25 μ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/1/2023
Entry Details
Go to US Patent

TargetPotassium voltage-gated channel subfamily H member 2(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM601033(1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of hERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetAmine oxidase [flavin-containing] A(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM601033(1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole...)
Affinity DataIC50: 2.80E+4nMAssay Description:Inhibition of human MAOAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM601033(1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human recombinant nAChRalpha4/beta2 incubated for 120 mins by radiometric scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
Target5-hydroxytryptamine receptor 3A(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM601033(1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole...)
Affinity DataIC50: 4.50E+3nMAssay Description:Inhibition of human HTR3AMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM601033(1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole...)
Affinity DataIC50: 170nMAssay Description:Inhibition of notum in human SW620 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM601033(1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole...)
Affinity DataEC50:  110nMAssay Description:Inhibition of full length recombinant human Notum expressed in HEK293S cells expressing TCF-LEF preincubated for 30 mins followed by Wnt-3A addition ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM601033(1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole...)
Affinity DataIC50: 4.60nMAssay Description:Inhibition of human Notum (S81 to T451 residues) Cys330Ser mutant expressed in HEK293S cells using OPTS as substrate incubated for 40 mins by fluores...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM601033(1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole...)
Affinity DataIC50: 6.30nMAssay Description:Inhibition of human Notum (S81 to T451 residues) Cys330Ser mutant expressed in HEK293S cells using OPTS as substrate incubated for 40 mins by fluores...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed