BDBM558314 US11365192, Example 39-2

SMILES OC(=O)C12CCC(COc3ccc(nc3)-c3ccns3)(CC1)CC2

InChI Key InChIKey=LBGZWODCDWPFHO-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 = 558314   

TargetCytochrome P450 4F2(Human)
Taisho Pharmaceutical

US Patent
LigandPNGBDBM558314(US11365192, Example 39-2)
Affinity DataIC50: 2.20E+4nMAssay 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 4A11(Human)
Taisho Pharmaceutical

US Patent
LigandPNGBDBM558314(US11365192, Example 39-2)
Affinity DataIC50: 18nMAssay 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