BDBM637678 US11834414, Compound CHMSA-03-A

SMILES CC1(O)CCC(CS(=O)(=O)c2ccc(c(F)c2)-c2ncc(F)cc2F)CC1

InChI Key InChIKey=VTGSIQAAKONEAG-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 637678   

TargetCytochrome P450 2C9(Human)
Modern Biosciences

US Patent
LigandPNGBDBM637678(US11834414, Compound CHMSA-03-A)
Affinity DataIC50: 1.47E+4nMAssay Description:CYP450 enzymes (final protein 75 pmol/mL for CYP1A2; 12.5 pmol/mL for CYP2C19; and 25 pmol/mL for CYP2C9, 2D6, and 3A4), 0.1 M phosphate buffer pH 7....More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/23/2024
Entry Details
US Patent

TargetCytochrome P450 1A2(Human)
Modern Biosciences

US Patent
LigandPNGBDBM637678(US11834414, Compound CHMSA-03-A)
Affinity DataIC50: 5.00E+4nMAssay Description:CYP450 enzymes (final protein 75 pmol/mL for CYP1A2; 12.5 pmol/mL for CYP2C19; and 25 pmol/mL for CYP2C9, 2D6, and 3A4), 0.1 M phosphate buffer pH 7....More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/23/2024
Entry Details
US Patent

TargetCytochrome P450 2C19(Human)
Modern Biosciences

US Patent
LigandPNGBDBM637678(US11834414, Compound CHMSA-03-A)
Affinity DataIC50: 5.00E+4nMAssay Description:CYP450 enzymes (final protein 75 pmol/mL for CYP1A2; 12.5 pmol/mL for CYP2C19; and 25 pmol/mL for CYP2C9, 2D6, and 3A4), 0.1 M phosphate buffer pH 7....More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/23/2024
Entry Details
US Patent

TargetCytochrome P450 2D6(Human)
Modern Biosciences

US Patent
LigandPNGBDBM637678(US11834414, Compound CHMSA-03-A)
Affinity DataIC50: 5.00E+4nMAssay Description:CYP450 enzymes (final protein 75 pmol/mL for CYP1A2; 12.5 pmol/mL for CYP2C19; and 25 pmol/mL for CYP2C9, 2D6, and 3A4), 0.1 M phosphate buffer pH 7....More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/23/2024
Entry Details
US Patent

TargetCytochrome P450 3A4(Human)
Modern Biosciences

US Patent
LigandPNGBDBM637678(US11834414, Compound CHMSA-03-A)
Affinity DataIC50: 5.00E+4nMAssay Description:CYP450 enzymes (final protein 75 pmol/mL for CYP1A2; 12.5 pmol/mL for CYP2C19; and 25 pmol/mL for CYP2C9, 2D6, and 3A4), 0.1 M phosphate buffer pH 7....More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/23/2024
Entry Details
US Patent