BDBM558316 US11365192, Example 40-2

SMILES CC(C)OC(=O)c1ccc(CCO)cc1

InChI Key InChIKey=WIDHWQILWBCUKR-UHFFFAOYSA-N

Data  2 IC50

  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 2 hits for monomerid = 558316   

TargetCytochrome P450 4A11(Homo sapiens)
Taisho Pharmaceutical

US Patent
LigandPNGBDBM558316(US11365192, Example 40-2)
Affinity DataIC50:  6.90nMAssay Description:In the CYP4F2 inhibition test, the reaction solution containing each compound [final concentration of 50 mM, KPO4 (pH 7.4), 2.5 μM luciferine de...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCytochrome P450 4F2(Homo sapiens (Human))
Taisho Pharmaceutical

US Patent
LigandPNGBDBM558316(US11365192, Example 40-2)
Affinity DataIC50:  8.20E+3nMAssay Description:In the CYP4F2 inhibition test, the reaction solution containing each compound [final concentration of 50 mM, KPO4 (pH 7.4), 2.5 μM luciferine de...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent