BDBM50559580 CHEMBL4761323

SMILES Nc1cc(F)c(cc1C(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)N1CCC(O)CC1

InChI Key InChIKey=YEIYDDIGGBBWAM-UHFFFAOYSA-N

Data  6 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50559580   

TargetCytochrome P450 2C19(Human)
Korea Research Institute of Chemical Technology

Curated by ChEMBL
LigandPNGBDBM50559580(CHEMBL4761323)
Affinity DataIC50: 1.83E+4nMAssay Description:Inhibition of human liver microsome CYP2C19 using S-mephenytoin as substrate incubated for 20 mins by LC-MS/MS with HPLC analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Korea Research Institute of Chemical Technology

Curated by ChEMBL
LigandPNGBDBM50559580(CHEMBL4761323)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of human liver microsome CYP2C9 using tolbutamide as substrate incubated for 20 mins by LC-MS/MS with HPLC analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Korea Research Institute of Chemical Technology

Curated by ChEMBL
LigandPNGBDBM50559580(CHEMBL4761323)
Affinity DataIC50: 2.93E+4nMAssay Description:Inhibition of human liver microsome CYP2D6 using dextromethorphan as substrate incubated for 20 mins by LC-MS/MS with HPLC analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Korea Research Institute of Chemical Technology

Curated by ChEMBL
LigandPNGBDBM50559580(CHEMBL4761323)
Affinity DataIC50: 4.10E+4nMAssay Description:Inhibition of human liver microsome CYP3A4 using sorafenib as substrate incubated for 20 mins by LC-MS/MS with HPLC analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Korea Research Institute of Chemical Technology

Curated by ChEMBL
LigandPNGBDBM50559580(CHEMBL4761323)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of human ERG by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Korea Research Institute of Chemical Technology

Curated by ChEMBL
LigandPNGBDBM50559580(CHEMBL4761323)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human liver microsome CYP1A2 using phenacetin as substrate incubated for 20 mins by LC-MS/MS with HPLC analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed