BDBM50333117 (2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol::(2R,3S)-2-(2,4-Difluoro-phenyl)-3-(5-fluoro-pyrimidin-4-yl)-1-[1,2,4]triazol-1-yl-butan-2-ol::(2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol::CHEMBL638::UK-109496::US11247981, Example Voriconazole::US9221791, Voriconazole::VORICONAZOLE::Vfend

SMILES C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F

InChI Key InChIKey=BCEHBSKCWLPMDN-MGPLVRAMSA-N

Data  4 KI  28 IC50  5 Kd

PDB links: 9 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:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 37 hits for monomerid = 50333117   

TargetCytochrome P450 2B6(Homo sapiens (Human))
Indiana University

Curated by ChEMBL
LigandPNGBDBM50333117((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...)
Affinity DataKi:  340nMAssay Description:Inhibition of CYP2B6 in human liver microsomes assessed as bupropion 4-hydroxylation after 15 mins by Dixon plot analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2B6(Homo sapiens (Human))
Indiana University

Curated by ChEMBL
LigandPNGBDBM50333117((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...)
Affinity DataKi:  400nMAssay Description:Inhibition of CYP2B6 in human liver microsomes assessed as efavirenz 8-hydroxylation after 10 mins by Dixon plot analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Indiana University

Curated by ChEMBL
LigandPNGBDBM50333117((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...)
Affinity DataKi:  2.80E+3nMAssay Description:Inhibition of CYP2C9 in human liver microsomes assessed as tolbutamide 4-methylhydroxylation after 60 mins by Dixon plot analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 2C19(Homo sapiens (Human))
Indiana University

Curated by ChEMBL
LigandPNGBDBM50333117((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...)
Affinity DataKi:  5.10E+3nMAssay Description:Inhibition of CYP2C19 in human liver microsomes assessed as S-mephenytoin 4'-hydroxylation after 60 mins by Dixon plot analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 2C9(Homo sapiens (Human))
Indiana University

Curated by ChEMBL
LigandPNGBDBM50333117((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...)
Affinity DataIC50:  1.40E+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))
Indiana University

Curated by ChEMBL
LigandPNGBDBM50333117((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...)
Affinity DataIC50:  1.50E+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 3A4(Homo sapiens (Human))
Viamet Pharmaceuticals

US Patent
LigandPNGBDBM50333117((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...)
Affinity DataIC50:  1.30E+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

TargetLanosterol 14a-demethylase(Neosartorya fumigata)
Swansea University

Curated by ChEMBL
LigandPNGBDBM50333117((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...)
Affinity DataKd:  423nMAssay Description:Binding affinity to Aspergillus fumigatus AF293 sterol 14-alpha demethylase isoenzyme B expressed in Escherichia coliMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50333117((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...)
Affinity DataIC50: >4.00E+4nMAssay Description:Inhibition of human ERG expressed in CHO cells by whole-cell patch clamp assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Viamet Pharmaceuticals

US Patent
LigandPNGBDBM50333117((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...)
Affinity DataIC50:  1.30E+4nMAssay Description:Inhibition of CYP3A4 in human hepatocytes using testosterone as substrate by HPLC/MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 2B6(Homo sapiens (Human))
Indiana University

Curated by ChEMBL
LigandPNGBDBM50333117((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...)
Affinity DataIC50:  1.71E+3nMAssay Description:Inhibition of CYP2B6 in human liver microsomes assessed as efavirenz 8-hydroxylation after 10 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Indiana University

Curated by ChEMBL
LigandPNGBDBM50333117((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...)
Affinity DataIC50:  3.62E+3nMAssay Description:Inhibition of CYP2C9 in human liver microsomes assessed as tolbutamide 4'-hydroxylation after 60 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 2C19(Homo sapiens (Human))
Indiana University

Curated by ChEMBL
LigandPNGBDBM50333117((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...)
Affinity DataIC50:  5.25E+3nMAssay Description:Inhibition of CYP2C19 in human liver microsomes assessed as S-mephenytoin 4'-hydroxylation after 60 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 2C9(Homo sapiens (Human))
Indiana University

Curated by ChEMBL
LigandPNGBDBM50333117((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...)
Affinity DataIC50:  8.40E+3nMAssay Description:Inhibition of CYP2C9 using tolbutamide as probeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 2C19(Homo sapiens (Human))
Indiana University

Curated by ChEMBL
LigandPNGBDBM50333117((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...)
Affinity DataIC50:  8.70E+3nMAssay Description:Inhibition of CYP2C19 using S-mephenytoin as probeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 2B6(Homo sapiens (Human))
Indiana University

Curated by ChEMBL
LigandPNGBDBM50333117((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...)
Affinity DataIC50:  1.19E+3nMAssay Description:Inhibition of CYP2B6 in human liver microsomes assessed as bupropion 4-hydroxylation after 10 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2B6(Homo sapiens (Human))
Indiana University

Curated by ChEMBL
LigandPNGBDBM50333117((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...)
Affinity DataIC50:  790nMAssay Description:Inhibition of CYP2B6 in human liver microsomes assessed as 8-hydroxyefavirenz 14-hydroxylation after 10 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2B6(Homo sapiens (Human))
Indiana University

Curated by ChEMBL
LigandPNGBDBM50333117((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...)
Affinity DataIC50:  1.75E+4nMAssay Description:Inhibition of CYP2B6 in human liver microsomes using efavirenz as probe after 10 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2B6(Homo sapiens (Human))
Indiana University

Curated by ChEMBL
LigandPNGBDBM50333117((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...)
Affinity DataIC50:  3.70E+3nMAssay Description:Inhibition of CYP2B6 in human liver microsomes using bupropion as probe after 10 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2B6(Homo sapiens (Human))
Indiana University

Curated by ChEMBL
LigandPNGBDBM50333117((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...)
Affinity DataIC50:  1.90E+3nMAssay Description:Inhibition of CYP2B6 in human liver microsomes using 8-hydroxyefavirenz as probe after 10 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2B6(Homo sapiens (Human))
Indiana University

Curated by ChEMBL
LigandPNGBDBM50333117((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...)
Affinity DataIC50:  1.22E+4nMAssay Description:Inhibition of human CYP2B6 expressed in baculovirus assessed as voriconazole N-oxide formationMore 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
LigandPNGBDBM50333117((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...)
Affinity DataKd:  3.63E+3nMAssay 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
LigandPNGBDBM50333117((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...)
Affinity DataKd:  429nMAssay Description:Binding affinity to Aspergillus fumigatus AF293 sterol 14-alpha demethylase isoenzyme B expressed in Escherichia coli assessed as tight binding affin...More data for this Ligand-Target Pair
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50333117((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50333117((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50333117((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50333117((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLanosterol 14-alpha demethylase(Candida albicans (strain SC5314 / ATCC MYA-2876) (...)
Vanderbilt University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50333117((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...)
Affinity DataKd:  165nMAssay Description:Binding affinity to Candida albicans CYP51 by spectral titration methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50333117((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...)
Affinity DataIC50:  4.14E+5nMAssay Description:Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunitsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Indiana University

Curated by ChEMBL
LigandPNGBDBM50333117((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...)
Affinity DataIC50:  1.40E+4nMAssay 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
In DepthDetails US PatentDrugBank

TargetCytochrome P450 2C19(Homo sapiens (Human))
Indiana University

Curated by ChEMBL
LigandPNGBDBM50333117((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...)
Affinity DataIC50:  1.50E+4nMAssay 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
In DepthDetails US PatentDrugBank

TargetCytochrome P450 3A4(Homo sapiens (Human))
Viamet Pharmaceuticals

US Patent
LigandPNGBDBM50333117((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...)
Affinity DataIC50:  1.30E+4nMAssay 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
In DepthDetails US PatentDrugBank

TargetCytochrome P450 3A4(Homo sapiens (Human))
Viamet Pharmaceuticals

US Patent
LigandPNGBDBM50333117((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...)
Affinity DataIC50:  1.30E+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))
Indiana University

Curated by ChEMBL
LigandPNGBDBM50333117((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...)
Affinity DataIC50:  1.50E+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

TargetCholesterol 24-hydroxylase(Homo sapiens (Human))
Takeda Pharmaceutical Company

Curated by ChEMBL
LigandPNGBDBM50333117((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of full length N-terminal his6-tagged human CH24H (28 to 494 residues) expressed in Escherichia coli DH5alpha using [14C] cholesterol as s...More data for this Ligand-Target Pair
TargetCytochrome P450 144(Mycobacterium tuberculosis)
Manchester Interdisciplinary Biocentre

LigandPNGBDBM50333117((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...)
Affinity DataKd:  1.74E+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
TargetCytochrome P450 2C9(Homo sapiens (Human))
Indiana University

Curated by ChEMBL
LigandPNGBDBM50333117((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...)
Affinity DataIC50:  1.40E+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