BDBM50609674 CHEMBL5283284

SMILES CC(C)(C(=O)Nc1ccc(cn1)-c1cncc(n1)C(F)(F)F)c1csc(NS(=O)(=O)C2CC2)n1

InChI Key InChIKey=CZIDGRDZSFIUHX-UHFFFAOYSA-N

Data  6 IC50

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50609674   

TargetCTP synthase 1(Human)
Sygnature Discovery

Curated by ChEMBL
LigandPNGBDBM50609674(CHEMBL5283284)
Affinity DataIC50: <5.00E+4nMAssay Description:Inhibition of C-terminal FLAG-His8-tagged full length human CTPS1 preincubated for 10 mins followed by substrate addition by ADP-Glo assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCTP synthase 2(Human)
Sygnature Discovery

Curated by ChEMBL
LigandPNGBDBM50609674(CHEMBL5283284)
Affinity DataIC50:  18nMAssay Description:Inhibition of human CTPS2 preincubated for 10 mins followed by substrate addition and measured after 30 to 60 mins by RFMS assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCTP synthase 1(Mouse)
Sygnature Discovery

Curated by ChEMBL
LigandPNGBDBM50609674(CHEMBL5283284)
Affinity DataIC50:  26nMAssay Description:Inhibition of mouse CTPS1 preincubated for 10 mins followed by substrate addition and measured after 30 to 60 mins by RFMS assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCTP synthase 2(Rat)
Sygnature Discovery

Curated by ChEMBL
LigandPNGBDBM50609674(CHEMBL5283284)
Affinity DataIC50:  23nMAssay Description:Inhibition of rat CTPS2 preincubated for 10 mins followed by substrate addition and measured after 30 to 60 mins by RFMS assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCTP synthase 2(Mouse)
Sygnature Discovery

Curated by ChEMBL
LigandPNGBDBM50609674(CHEMBL5283284)
Affinity DataIC50:  33nMAssay Description:Inhibition of mouse CTPS2 preincubated for 10 mins followed by substrate addition and measured after 30 to 60 mins by RFMS assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCTP synthase 1(Human)
Sygnature Discovery

Curated by ChEMBL
LigandPNGBDBM50609674(CHEMBL5283284)
Affinity DataIC50:  32nMAssay Description:Inhibition of human CTPS1 preincubated for 10 mins followed by substrate addition and measured after 30 to 60 mins by RFMS assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB