BDBM50239592 CHEMBL4078072

SMILES CCCCN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Oc1cc(OC)c(OC)c(OC)c1

InChI Key InChIKey=XUEJZYKHBJYFNX-UHFFFAOYSA-N

Data  2 KI

  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 2 hits for monomerid = 50239592   

TargetCytochrome P450 1A1(Human)
University Laval

Curated by ChEMBL
LigandPNGBDBM50239592(CHEMBL4078072)
Affinity DataKi:  140nMAssay Description:Binding affinity to human CYP1A1 assessed as inhibition of conversion of 7-ethoicyresorufin into fluorescent resorufin by measuring inhibition consta...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2024
Entry Details
PubMed
TargetCytochrome P450 1A1(Human)
University Laval

Curated by ChEMBL
LigandPNGBDBM50239592(CHEMBL4078072)
Affinity DataKi:  540nMAssay Description:Inhibition of human supersomes CYP1A1-mediated 7-ethoxyresorufin conversion to fluorescent resorufin preincubated with 7-ethoxyresorufin for 5 mins f...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2019
Entry Details Article
PubMed