BDBM717812 US20250042850, Compound 2

SMILES O=C(Cc1ccccc1)c1ccn(Cc2c(F)cccc2F)c1

InChI Key InChIKey=BMZPFYKDUBCRMQ-UHFFFAOYSA-N

Data  6 IC50  1 Kd

  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 7 hits for monomerid = 717812   

TargetPantetheinase(Human)
Athos Therapeutics

US Patent
LigandPNGBDBM717812(US20250042850, Compound 2)
Affinity DataKd:  300nMAssay Description:Table 1 and 5: Test compounds were prepared as 111X stocks in 100% DMSO. Kd values were determined using an 11-point 3-fold compound dilution series ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/12/2025
Entry Details
Go to US Patent

TargetCytochrome P450 1A2(Human)
Athos Therapeutics

US Patent
LigandPNGBDBM717812(US20250042850, Compound 2)
Affinity DataIC50: 1.00E+5nMAssay Description:Table 3 and 4: The cocktail was incubated in human liver microsome with NADPH regenerating system (NRS) in a shaking bath at 37±2° C. The formation o...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/12/2025
Entry Details
Go to US Patent

TargetCytochrome P450 2C8(Human)
Athos Therapeutics

US Patent
LigandPNGBDBM717812(US20250042850, Compound 2)
Affinity DataIC50: 6.55E+4nMAssay Description:Table 3 and 4: The cocktail was incubated in human liver microsome with NADPH regenerating system (NRS) in a shaking bath at 37±2° C. The formation o...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/12/2025
Entry Details
Go to US Patent

TargetCytochrome P450 2C9(Human)
Athos Therapeutics

US Patent
LigandPNGBDBM717812(US20250042850, Compound 2)
Affinity DataIC50: 6.34E+4nMAssay Description:Table 3 and 4: The cocktail was incubated in human liver microsome with NADPH regenerating system (NRS) in a shaking bath at 37±2° C. The formation o...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/12/2025
Entry Details
Go to US Patent

TargetCytochrome P450 2C19(Human)
Athos Therapeutics

US Patent
LigandPNGBDBM717812(US20250042850, Compound 2)
Affinity DataIC50: 1.53E+4nMAssay Description:Table 3 and 4: The cocktail was incubated in human liver microsome with NADPH regenerating system (NRS) in a shaking bath at 37±2° C. The formation o...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/12/2025
Entry Details
Go to US Patent

TargetCytochrome P450 2D6(Human)
Athos Therapeutics

US Patent
LigandPNGBDBM717812(US20250042850, Compound 2)
Affinity DataIC50: 2.70E+4nMAssay Description:Table 3 and 4: The cocktail was incubated in human liver microsome with NADPH regenerating system (NRS) in a shaking bath at 37±2° C. The formation o...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/12/2025
Entry Details
Go to US Patent

TargetCytochrome P450 3A4(Human)
Athos Therapeutics

US Patent
LigandPNGBDBM717812(US20250042850, Compound 2)
Affinity DataIC50: 7.37E+4nMAssay Description:Table 3 and 4: The cocktail was incubated in human liver microsome with NADPH regenerating system (NRS) in a shaking bath at 37±2° C. The formation o...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/12/2025
Entry Details
Go to US Patent