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 9 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 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 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