BDBM558194 US11365192, Example 8-5

SMILES CC(C)(C(O)=O)c1cccc(c1)S(=O)(=O)CCCCOc1ccc(nc1)-c1ccn[nH]1

InChI Key InChIKey=NMEDQBVCAPEMRM-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 = 558194   

TargetCytochrome P450 4A11(Human)
Taisho Pharmaceutical

US Patent
LigandPNGBDBM558194(US11365192, Example 8-5)
Affinity DataIC50: 560nMAssay 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
In Depth
Date in BDB:
9/25/2022
Entry Details
Go to US Patent

TargetCytochrome P450 4F2(Human)
Taisho Pharmaceutical

US Patent
LigandPNGBDBM558194(US11365192, Example 8-5)
Affinity DataIC50: 2.30E+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
In Depth
Date in BDB:
9/25/2022
Entry Details
Go to US Patent