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 15 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
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
TargetLanosterol 14-alpha demethylase(Homo sapiens (Human))
Swansea University

Curated by ChEMBL
LigandPNGBDBM25817(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)
Affinity DataKd:  7.00E+4nMAssay Description:Binding affinity to human CYP51More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLanosterol 14-alpha demethylase(Homo sapiens (Human))
Swansea University

Curated by ChEMBL
LigandPNGBDBM25817(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)
Affinity DataIC50:  137nMAssay Description:In vitro inhibition of cytochrome P450 lanosterol C14 demethylase in Candida albicans CY1005 (experiment 1)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLanosterol 14-alpha demethylase(Homo sapiens (Human))
Swansea University

Curated by ChEMBL
LigandPNGBDBM25817(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)
Affinity DataKd:  4.00E+4nMAssay Description:Binding affinity to human His-tagged CYP51 expressed in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLanosterol 14-alpha demethylase(Homo sapiens (Human))
Swansea University

Curated by ChEMBL
LigandPNGBDBM25817(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)
Affinity DataKd:  1.20E+5nMAssay Description:Binding affinity to human CYP51More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLanosterol 14-alpha demethylase(Homo sapiens (Human))
Swansea University

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 human CYP51 expressed in Topp 3 cells by lanosterol demethylase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLanosterol 14-alpha demethylase(Homo sapiens (Human))
Swansea University

Curated by ChEMBL
LigandPNGBDBM25817(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)
Affinity DataIC50:  127nMAssay Description:In vitro inhibition of cytochrome P450 lanosterol C14 demethylase in Candida albicans CY1005 (experiment 2)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLanosterol 14-alpha demethylase(Homo sapiens (Human))
Swansea University

Curated by ChEMBL
LigandPNGBDBM25817(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)
Affinity DataIC50:  137nMAssay Description:In vitro inhibition of Lanosterol 14-alpha demethylase (Candida albicans CY1005)More data for this Ligand-Target Pair
In DepthDetails Article
TargetLanosterol 14-alpha demethylase(Candida albicans (strain SC5314 / ATCC MYA-2876) (...)
Liaocheng University

Curated by ChEMBL
LigandPNGBDBM25817(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)
Affinity DataIC50:  116nMAssay Description:Inhibition of Candida albicans ATCC SC5314 CYP51 incubated for 30 mins by spectrophotometric methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLanosterol 14-alpha demethylase(Candida albicans (strain SC5314 / ATCC MYA-2876) (...)
Liaocheng University

Curated by ChEMBL
LigandPNGBDBM25817(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)
Affinity DataIC50:  134nMAssay Description:Inhibition of CYP51 in Candida albicans ATCC SC5314 measured after 30 mins by HPLC analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLanosterol 14-alpha demethylase(Candida albicans (strain SC5314 / ATCC MYA-2876) (...)
Liaocheng University

Curated by ChEMBL
LigandPNGBDBM25817(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)
Affinity DataIC50:  2.89E+4nMAssay Description:Inhibition of candida albicans CYP51 using 7-ethoxyresorufin as fluorescent substrate incubated for 10 mins in the presence of NADPH by fluorescence ...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetLanosterol 14-alpha demethylase(Candida albicans (strain SC5314 / ATCC MYA-2876) (...)
Liaocheng University

Curated by ChEMBL
LigandPNGBDBM25817(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)
Affinity DataIC50:  140nMAssay Description:Inhibition of CYP51 in Candida albicans SC5314 using Eburicol as substrate preincubated for 20 mins followed by substrate addition and measured after...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetLanosterol 14-alpha demethylase(Candida albicans (strain SC5314 / ATCC MYA-2876) (...)
Liaocheng University

Curated by ChEMBL
LigandPNGBDBM25817(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)
Affinity DataIC50:  148nMAssay Description:Inhibition of CYP51 in Candida albicans ATCC SC5314 incubated for 30 mins using eburicol as substrate in presence of NADPH by HPLC analysisMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetLanosterol 14-alpha demethylase(Candida albicans (strain SC5314 / ATCC MYA-2876) (...)
Liaocheng University

Curated by ChEMBL
LigandPNGBDBM25817(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)
Affinity DataIC50:  110nMAssay Description:Inhibition of CYP51 in Candida albicans ATCC SC5314 assessed as reduction in substrate consumption using lanosterol as substrate preincubated for 30 ...More data for this Ligand-Target Pair
In DepthDetails PubMed