BDBM50281169 CHEMBL4173846::US20240034730, Compound 1

SMILES Oc1nn2ccccc2c1C(=O)Nc1c(F)c(F)c(-c2ccccc2)c(F)c1F

InChI Key InChIKey=JIIXZPWFDKPNKW-UHFFFAOYSA-N

Data  4 IC50  3 EC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50281169   

TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Homo sapiens (Human))
University Of Turin

Curated by ChEMBL
LigandPNGBDBM50281169(CHEMBL4173846 | US20240034730, Compound 1)
Affinity DataIC50:  1.20nMAssay Description:Inhibition of recombinant N-terminal GST-tagged human DHODH (31 to 395 residues) expressed in Escherichia coli BL21(DE3) assessed as inhibition of DC...More data for this Ligand-Target Pair
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Homo sapiens (Human))
University Of Turin

Curated by ChEMBL
LigandPNGBDBM50281169(CHEMBL4173846 | US20240034730, Compound 1)
Affinity DataIC50:  1.20nMAssay Description:Inhibition of recombinant human N-terminal GST-fusion tagged DHODH expressed in Escherichia coli BL21 (DE3) using dihydroorotate as substrate at 50 u...More data for this Ligand-Target Pair
TargetReplicase polyprotein 1ab(2019-nCoV)
Drug Discovery and Clinic

US Patent
LigandPNGBDBM50281169(CHEMBL4173846 | US20240034730, Compound 1)
Affinity DataEC50:  63nMAssay Description:To evaluate the anti-HSV activity of 1, 17 or Brequinar by plaque reduction assays (PRA), Vero cells were seeded in 24-well plates at a density of 70...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Homo sapiens (Human))
University Of Turin

Curated by ChEMBL
LigandPNGBDBM50281169(CHEMBL4173846 | US20240034730, Compound 1)
Affinity DataIC50:  1.20nMAssay Description:Inhibition of human recombinant N-terminal GST-tagged DHODH expressed in Escherichia coli BL21(DE3) using dihydroorotate substrate preincubated for 5...More data for this Ligand-Target Pair
TargetReplicase polyprotein 1ab(HCoV-229E)
Drug Discovery and Clinic

US Patent
LigandPNGBDBM50281169(CHEMBL4173846 | US20240034730, Compound 1)
Affinity DataEC50:  22nMAssay Description:To evaluate the anti-HSV activity of 1, 17 or Brequinar by plaque reduction assays (PRA), Vero cells were seeded in 24-well plates at a density of 70...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Homo sapiens (Human))
University Of Turin

Curated by ChEMBL
LigandPNGBDBM50281169(CHEMBL4173846 | US20240034730, Compound 1)
Affinity DataIC50:  1.20nMAssay Description:The enzymatic inhibition assay was optimized for being performed on a 96 well plate and to achieve higher throughput. For each well of the plate a to...More data for this Ligand-Target Pair
TargetReplicase polyprotein 1ab(HCoV-OC43)
Drug Discovery and Clinic

US Patent
LigandPNGBDBM50281169(CHEMBL4173846 | US20240034730, Compound 1)
Affinity DataEC50:  12nMAssay Description:To evaluate the anti-HSV activity of 1, 17 or Brequinar by plaque reduction assays (PRA), Vero cells were seeded in 24-well plates at a density of 70...More data for this Ligand-Target Pair
In DepthDetails US Patent