BDBM50235593 CHEMBL4062046::US12162877, Compound 2

SMILES Cn1nc(O)c(n1)C(=O)Nc1c(F)c(F)c(-c2ccccc2)c(F)c1F

InChI Key InChIKey=NRGHNOMCGATBLG-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50235593   

TargetDihydrofolate reductase(Human)
University of Torino

Curated by ChEMBL
LigandPNGBDBM50235593(CHEMBL4062046 | US12162877, Compound 2)
Affinity DataIC50: 45nMAssay Description:Inhibition of recombinant human N-terminal truncated GST-tagged DHFR (31 to 395 residues) expressed in Escherichia coli BL21(DE3) pyrD using DHO as s...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/5/2019
Entry Details Article
PubMed
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Human)
University of Turin

Curated by ChEMBL
LigandPNGBDBM50235593(CHEMBL4062046 | US12162877, Compound 2)
Affinity DataIC50: 45nMAssay 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
In Depth
Date in BDB:
6/27/2020
Entry Details Article
PubMed
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Human)
University of Turin

Curated by ChEMBL
LigandPNGBDBM50235593(CHEMBL4062046 | US12162877, Compound 2)
Affinity DataIC50: 45nMAssay Description:Inhibitory activity was assessed by monitoring the reduction of 2,6-dichloroindophenol (DCIP), which is associated with the oxidation of dihydroorota...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2025
Entry Details
Go to US Patent