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 12 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
TargetSteroid C26-monooxygenase(Mycobacterium tuberculosis)
Manchester Interdisciplinary Biocentre

LigandPNGBDBM25817(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)
Affinity DataKd:  4.31E+4nMAssay Description:Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSteroid C26-monooxygenase(Mycobacterium tuberculosis)
Manchester Interdisciplinary Biocentre

LigandPNGBDBM25817(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)
Affinity DataKd:  8.60E+5nMAssay Description:Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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
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
TargetSterol 14-alpha demethylase cyp51A(Neosartorya fumigata (strain ATCC MYA-4609 / Af293...)
Swansea University

Curated by ChEMBL
LigandPNGBDBM25817(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)
Affinity DataKd:  1.19E+4nMAssay Description:Binding affinity to Aspergillus fumigatus AF293 sterol 14-alpha demethylase isoenzyme A expressed in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLanosterol 14a-demethylase(Neosartorya fumigata)
Swansea University

Curated by ChEMBL
LigandPNGBDBM25817(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)
Affinity DataKd:  4.03E+3nMAssay Description:Binding affinity to Aspergillus fumigatus AF293 sterol 14-alpha demethylase isoenzyme B 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:  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