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.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 25817   

TargetCytochrome P450 2C9(Homo sapiens (Human))
Viamet Pharmaceuticals

US Patent
LigandPNGBDBM25817(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)
Affinity DataIC50:  2.90E+4nMAssay 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
In DepthDetails US PatentDrugBank

TargetCytochrome P450 2C19(Homo sapiens (Human))
Viamet Pharmaceuticals

US Patent
LigandPNGBDBM25817(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)
Affinity DataIC50:  8.20E+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
In DepthDetails US PatentDrugBank

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 2C9(Homo sapiens (Human))
Viamet Pharmaceuticals

US Patent
LigandPNGBDBM25817(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)
Affinity DataIC50:  2.90E+4nMAssay 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
In DepthDetails US PatentDrugBank

TargetCytochrome P450 2C19(Homo sapiens (Human))
Viamet Pharmaceuticals

US Patent
LigandPNGBDBM25817(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)
Affinity DataIC50:  8.20E+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
In DepthDetails US PatentDrugBank

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 2C9(Homo sapiens (Human))
Viamet Pharmaceuticals

US Patent
LigandPNGBDBM25817(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)
Affinity DataIC50:  2.90E+4nMAssay 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
In DepthDetails US PatentDrugBank

TargetCytochrome P450 2C19(Homo sapiens (Human))
Viamet Pharmaceuticals

US Patent
LigandPNGBDBM25817(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)
Affinity DataIC50:  8.20E+3nMMore data for this Ligand-Target Pair
In DepthDetails US PatentDrugBank

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 2C9(Homo sapiens (Human))
Viamet Pharmaceuticals

US Patent
LigandPNGBDBM25817(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)
Affinity DataIC50:  3.40E+4nMAssay Description:Inhibition of CYP2C9 in human hepatocyte microsomes using diclofenac substrate by HPLC/MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 2C9(Homo sapiens (Human))
Viamet Pharmaceuticals

US Patent
LigandPNGBDBM25817(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)
Affinity DataIC50:  1.30E+4nMAssay Description:Inhibition of CYP2C19 in human hepatocyte microsomes using omeprazole substrate by HPLC/MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 11B1, mitochondrial(Homo sapiens (Human))
Viamet Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM25817(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)
Affinity DataIC50:  3.00E+4nMAssay Description:Inhibition of CYP11B1 in human hepatocyte microsomes using deoxycortisol substrate by HPLC/MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

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 11B2, mitochondrial(Homo sapiens (Human))
Viamet Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM25817(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)
Affinity DataIC50:  1.30E+4nMAssay Description:Inhibition of CYP11B2 in human hepatocyte microsomes using deoxycorticosteroid substrate by HPLC/MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
Viamet Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM25817(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibition of CYP17 lyase in human hepatocyte microsomes using 17a-hydroxypregnenolone substrate by HPLC/MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
Viamet Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM25817(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibition of CYP17 hydroxylase in human hepatocyte microsomes using pregnenolone substrate by HPLC/MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
Viamet Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM25817(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)
Affinity DataIC50:  2.20E+4nMAssay Description:Inhibition of CYP19 in human hepatocyte microsomes using testosterone substrate by HPLC/MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed