BDBM50567967 CHEMBL4850393::US11903936, Compound 35

SMILES CC(NC(=O)c1[nH]cc(Cc2ccc(nc2)C(F)(F)F)c1C)c1cnn(C)c1

InChI Key InChIKey=QKAPFUYAAPPCDI-UHFFFAOYSA-N

Data  15 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50567967   

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

Curated by ChEMBL
LigandPNGBDBM50567967(CHEMBL4850393 | US11903936, Compound 35)
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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetDihydroorotate dehydrogenase (quinone), mitochondrial()
The Board of Regents of The University of Texas System

US Patent
LigandPNGBDBM50567967(CHEMBL4850393 | US11903936, Compound 35)
Affinity DataEC50:  7nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCytochrome P450 1A2(Homo sapiens (Human))
Medicines For Malaria Venture

Curated by ChEMBL
LigandPNGBDBM50567967(CHEMBL4850393 | US11903936, Compound 35)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin) using phenacetin O-deethylation by UPLC-MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2B6(Homo sapiens (Human))
Medicines For Malaria Venture

Curated by ChEMBL
LigandPNGBDBM50567967(CHEMBL4850393 | US11903936, Compound 35)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP2B6 (unknown origin) by UPLC-MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C8(Homo sapiens (Human))
Medicines For Malaria Venture

Curated by ChEMBL
LigandPNGBDBM50567967(CHEMBL4850393 | US11903936, Compound 35)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP2C8 (unknown origin) by UPLC-MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Medicines For Malaria Venture

Curated by ChEMBL
LigandPNGBDBM50567967(CHEMBL4850393 | US11903936, Compound 35)
Affinity DataIC50:  1.90E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin) by UPLC-MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Medicines For Malaria Venture

Curated by ChEMBL
LigandPNGBDBM50567967(CHEMBL4850393 | US11903936, Compound 35)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin) by UPLC-MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Medicines For Malaria Venture

Curated by ChEMBL
LigandPNGBDBM50567967(CHEMBL4850393 | US11903936, Compound 35)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin) by UPLC-MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Medicines For Malaria Venture

Curated by ChEMBL
LigandPNGBDBM50567967(CHEMBL4850393 | US11903936, Compound 35)
Affinity DataIC50:  8.50E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin) by UPLC-MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Plasmodium falciparum (isolate 3D7))
The Board of Regents of The University of Texas System

US Patent
LigandPNGBDBM50567967(CHEMBL4850393 | US11903936, Compound 35)
Affinity DataIC50:  50nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(malaria parasite P. vivax)
The Board of Regents of The University of Texas System

US Patent
LigandPNGBDBM50567967(CHEMBL4850393 | US11903936, Compound 35)
Affinity DataIC50:  41nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Homo sapiens (Human))
Medicines For Malaria Venture

Curated by ChEMBL
LigandPNGBDBM50567967(CHEMBL4850393 | US11903936, Compound 35)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Mus musculus)
The Board of Regents of The University of Texas System

US Patent
LigandPNGBDBM50567967(CHEMBL4850393 | US11903936, Compound 35)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Rattus norvegicus (rat))
The Board of Regents of The University of Texas System

US Patent
LigandPNGBDBM50567967(CHEMBL4850393 | US11903936, Compound 35)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Dog)
The Board of Regents of The University of Texas System

US Patent
LigandPNGBDBM50567967(CHEMBL4850393 | US11903936, Compound 35)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Plasmodium falciparum (isolate 3D7))
The Board of Regents of The University of Texas System

US Patent
LigandPNGBDBM50567967(CHEMBL4850393 | US11903936, Compound 35)
Affinity DataEC50:  8.20nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Homo sapiens (Human))
Medicines For Malaria Venture

Curated by ChEMBL
LigandPNGBDBM50567967(CHEMBL4850393 | US11903936, Compound 35)
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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed