BDBM25817 2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)propan-2-ol::CHEMBL106::Diflucan::Fluconazole::Fluconazole (f)::Fungata::Triflucan::US10221160, Fluconazole::US11247981, Example Fluconazole::US9138393, Fluconazole::US9144538, Fluconazole::US9221791, Fluconazole::US9556143, Fluconazole::cid_3365

SMILES OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F

InChI Key InChIKey=RFHAOTPXVQNOHP-UHFFFAOYSA-N

Data  4 KI  50 IC50  12 Kd  1 EC50

PDB links: 16 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 25817   

TargetLanosterol 14-alpha demethylase(Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)
University of California San Francisco

LigandPNGBDBM25817(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)
Affinity DataKd:  3.00E+4nMpH: 7.5 T: 2°CAssay Description:The assay was developed based on the optical spectral property of P450 enzyme to elicit both type I and type II spectral changes (350 nm through 450 ...More data for this Ligand-Target Pair
TargetSterol 14-alpha demethylase(Trypanosoma cruzi)
Vanderbilt University

LigandPNGBDBM25817(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)
Affinity DataKd:  230nMpH: 6.0Assay Description:Azole derivatives used as an inhibitor of TB and TC CYP51.More data for this Ligand-Target Pair
TargetLanosterol 14-alpha-demethylase(Trypanosoma brucei)
Vanderbilt University

LigandPNGBDBM25817(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)
Affinity DataKd:  340nMpH: 6.0Assay Description:Azole derivatives used as an inhibitor of TB and TC CYP51.More data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
Viamet Pharmaceuticals

US Patent
LigandPNGBDBM25817(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)
Affinity DataIC50:  8.00E+3nMAssay Description:Solutions of each test compound were separately prepared at concentrations of 20000, 6000, 2000, 600, 200, and 60 μM by serial dilution with DMS...More data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
Viamet Pharmaceuticals

US Patent
LigandPNGBDBM25817(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)
Affinity DataIC50:  1.00E+4nMAssay Description:A commercially available P450-GLO Assay kit (Promega Corporation, Madison Wis.) is used to screen various compounds for CYP3A4A inhibition activity. ...More data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
Viamet Pharmaceuticals

US Patent
LigandPNGBDBM25817(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)
Affinity DataIC50:  1.00E+4nMAssay Description:Cytochrome P450 is a large and diverse group of enzymes that catalyze the oxidation of organic substances. Some members of the CYP family contribute ...More data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
Viamet Pharmaceuticals

US Patent
LigandPNGBDBM25817(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)
Affinity DataIC50:  8.00E+3nMAssay Description:Solutions of each test compound were separately prepared at concentrations of 20000, 6000, 2000, 600, 200, and 60 uM by serial dilution with DMSO:M...More data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
Viamet Pharmaceuticals

US Patent
LigandPNGBDBM25817(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)
Affinity DataIC50:  2.50E+4nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
TargetLanosterol 14-alpha demethylase(Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)
University of California San Francisco

LigandPNGBDBM25817(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)
Affinity DataKd:  200nMAssay Description:Binding affinity to Mycobacterium tuberculosis CYP51More data for this Ligand-Target Pair
TargetMycocyclosin synthase(Mycobacterium tuberculosis)
Swansea University

Curated by ChEMBL
LigandPNGBDBM25817(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)
Affinity DataKd:  6.00E+3nMAssay Description:Binding affinity to Mycobacterium tuberculosis CYP121More data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
Viamet Pharmaceuticals

US Patent
LigandPNGBDBM25817(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)
Affinity DataIC50:  8.00E+3nMMore data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
Viamet Pharmaceuticals

US Patent
LigandPNGBDBM25817(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)
Affinity DataIC50:  3.20E+4nMAssay Description:Inhibition of CYP3A4 in human hepatocyte microsomes using testosterone substrate by HPLC/MS/MS methodMore data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
Viamet Pharmaceuticals

US Patent
LigandPNGBDBM25817(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)
Affinity DataIC50:  8.00E+3nMAssay Description:Pooled human liver microsome suspension (20 mg/mL) was diluted with phosphate buffer to obtain a 5 mg/mL suspension. A solution of NADPH was prepared...More data for this Ligand-Target Pair
TargetSterol 14-alpha demethylase(Trypanosoma cruzi)
Vanderbilt University

LigandPNGBDBM25817(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)
Affinity DataIC50:  880nMAssay Description:Inhibition of recombinant Trypanosoma cruzi Tulahuen CYP51 expressed in Escherichia coli JM109 cell membranes assessed as inhibition of microbe growt...More data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
Viamet Pharmaceuticals

US Patent
LigandPNGBDBM25817(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)
Affinity DataIC50:  2.40E+4nMAssay Description:Inhibition of recombinant human CYP3A4 using Luciferin-PPXE as substrate preincubated for 10 mins followed by NADPH addition measured after 15 mins b...More data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
Viamet Pharmaceuticals

US Patent
LigandPNGBDBM25817(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)
Affinity DataIC50:  2.50E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
Viamet Pharmaceuticals

US Patent
LigandPNGBDBM25817(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)
Affinity DataIC50:  8.00E+3nMAssay Description:Pooled human liver microsome suspension (20 mg/mL) was diluted with phosphate buffer to obtain a 5 mg/mL suspension. A solution of NADPH was prepared...More data for this Ligand-Target Pair