BDBM50567991 CHEMBL4848632::US11903936, Compound 2

SMILES CC(NC(=O)c1[nH]cc(c1C)C1(CC1)c1ccc(nc1)C(F)(F)F)c1nc[nH]n1

InChI Key InChIKey=JUBPRXDFKLPILK-UHFFFAOYSA-N

Data  14 IC50  2 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 16 hits for monomerid = 50567991   

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

Curated by ChEMBL
LigandPNGBDBM50567991(CHEMBL4848632 | US11903936, Compound 2)
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
TargetCytochrome P450 1A2(Human)
Medicines For Malaria Venture

Curated by ChEMBL
LigandPNGBDBM50567991(CHEMBL4848632 | US11903936, Compound 2)
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
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
Medicines For Malaria Venture

Curated by ChEMBL
LigandPNGBDBM50567991(CHEMBL4848632 | US11903936, Compound 2)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2B6 (unknown origin) by UPLC-MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMed
TargetCytochrome P450 2C8(Human)
Medicines For Malaria Venture

Curated by ChEMBL
LigandPNGBDBM50567991(CHEMBL4848632 | US11903936, Compound 2)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2C8 (unknown origin) by UPLC-MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Medicines For Malaria Venture

Curated by ChEMBL
LigandPNGBDBM50567991(CHEMBL4848632 | US11903936, Compound 2)
Affinity DataIC50: 1.20E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin) by UPLC-MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Medicines For Malaria Venture

Curated by ChEMBL
LigandPNGBDBM50567991(CHEMBL4848632 | US11903936, Compound 2)
Affinity DataIC50: 6.30E+3nMAssay Description:Inhibition of CYP2C19 (unknown origin) by UPLC-MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Medicines For Malaria Venture

Curated by ChEMBL
LigandPNGBDBM50567991(CHEMBL4848632 | US11903936, Compound 2)
Affinity DataIC50: 6.30E+3nMAssay Description:Inhibition of CYP2D6 (unknown origin) by UPLC-MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Medicines For Malaria Venture

Curated by ChEMBL
LigandPNGBDBM50567991(CHEMBL4848632 | US11903936, Compound 2)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin) by UPLC-MS analysisMore 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
LigandPNGBDBM50567991(CHEMBL4848632 | US11903936, Compound 2)
Affinity DataIC50: 98nMAssay 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
LigandPNGBDBM50567991(CHEMBL4848632 | US11903936, Compound 2)
Affinity DataIC50: 52nMAssay 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
LigandPNGBDBM50567991(CHEMBL4848632 | US11903936, Compound 2)
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(Mouse)
University of Texas

US Patent
LigandPNGBDBM50567991(CHEMBL4848632 | US11903936, Compound 2)
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(Rat)
University of Texas

US Patent
LigandPNGBDBM50567991(CHEMBL4848632 | US11903936, Compound 2)
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(Dog)
University of Texas

US Patent
LigandPNGBDBM50567991(CHEMBL4848632 | US11903936, Compound 2)
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
LigandPNGBDBM50567991(CHEMBL4848632 | US11903936, Compound 2)
Affinity DataEC50:  13nMAssay 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

TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Plasmodium falciparum (isolate Dd2))
University of Texas

US Patent
LigandPNGBDBM50567991(CHEMBL4848632 | US11903936, Compound 2)
Affinity DataEC50:  22nMAssay 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