BDBM50567994 CHEMBL4864218::US11903936, Compound 17

SMILES CC(NC(=O)c1[nH]cc(c1C)C1(CC1)c1ccc(nc1)C(F)(F)F)c1cc([nH]n1)C#N

InChI Key InChIKey=POQZTSJDTKESSW-UHFFFAOYSA-N

Data  4 IC50  1 EC50

  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 5 hits for monomerid = 50567994   

TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Human)
Medicines For Malaria Venture

Curated by ChEMBL
LigandPNGBDBM50567994(CHEMBL4864218 | US11903936, Compound 17)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human DHODH expressed in Escherichia coli BL21-DE3 using L-dihydroorotate as substrate by steady-state DCIP methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMed
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Plasmodium falciparum (isolate 3D7))
University of Texas

US Patent
LigandPNGBDBM50567994(CHEMBL4864218 | US11903936, Compound 17)
Affinity DataIC50: 85nMAssay Description:The 50% inhibitory concentration (IC50) for the described compounds was determined using the 2,6-dichloroindophenol (DCIP) assay to monitor the DHODH...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/23/2024
Entry Details
Go to US Patent

TargetDihydroorotate dehydrogenase (quinone), mitochondrial(malaria parasite P. vivax)
University of Texas

US Patent
LigandPNGBDBM50567994(CHEMBL4864218 | US11903936, Compound 17)
Affinity DataIC50: 43nMAssay Description:The 50% inhibitory concentration (IC50) for the described compounds was determined using the 2,6-dichloroindophenol (DCIP) assay to monitor the DHODH...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/23/2024
Entry Details
Go to US Patent

TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Human)
Medicines For Malaria Venture

Curated by ChEMBL
LigandPNGBDBM50567994(CHEMBL4864218 | US11903936, Compound 17)
Affinity DataIC50: 1.00E+5nMAssay Description:The 50% inhibitory concentration (IC50) for the described compounds was determined using the 2,6-dichloroindophenol (DCIP) assay to monitor the DHODH...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/23/2024
Entry Details
Go to US Patent

TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Plasmodium falciparum (isolate 3D7))
University of Texas

US Patent
LigandPNGBDBM50567994(CHEMBL4864218 | US11903936, Compound 17)
Affinity DataEC50:  5.20nMAssay Description:P. falciparum 3D7 cells were grown in RPMI media supplemented with 0.5% albuMAX I, human red blood cells to 0.5% hematocrit and 0.5% parasitemia as d...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/23/2024
Entry Details
Go to US Patent