BDBM50295561 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one::CHEMBL520897::triadimefon

SMILES CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1

InChI Key InChIKey=WURBVZBTWMNKQT-UHFFFAOYSA-N

Data  2 IC50  3 Kd

  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 5 hits for monomerid = 50295561   

TargetCytochrome P450 3A4(Homo sapiens (Human))
Jadavpur University

Curated by ChEMBL
LigandPNGBDBM50295561(1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triaz...)
Affinity DataIC50:  9.29E+3nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 14alpha-demethylase(Penicillium digitatum)
Central China Normal University

Curated by ChEMBL
LigandPNGBDBM50295561(1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triaz...)
Affinity DataKd:  990nMAssay Description:Binding affinity to Penicillium digitatum CYP51 expressed in Escherichia coli BL21 (DE3) cells by binding spectrum methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Targetp450 sterol 14-alpha-demethylase(Penicillium digitatum)
Central China Normal University

Curated by ChEMBL
LigandPNGBDBM50295561(1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triaz...)
Affinity DataKd:  1.42E+3nMAssay Description:Binding affinity to Penicillium digitatum CYP51More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Targetp450 sterol 14-alpha-demethylase(Penicillium digitatum)
Central China Normal University

Curated by ChEMBL
LigandPNGBDBM50295561(1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triaz...)
Affinity DataIC50:  2.62E+4nMAssay Description:Binding affinity to Penicillium digitatum CYP51More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 14alpha-demethylase(Penicillium digitatum)
Central China Normal University

Curated by ChEMBL
LigandPNGBDBM50295561(1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triaz...)
Affinity DataKd:  420nMAssay Description:Binding affinity to Penicillium digitatum recombinant N-terminal-His6 tagged CYP51 expressed in Escherichia coli BL21(DE3) by spectrophotometric anal...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed