BDBM50018006 CHEMBL3289672::US9238653, Table 5, Compound 49

SMILES Cc1cc(n2c(n1)nc(n2)C(F)(F)F)Nc3cc(c(c(c3)F)C(F)(F)F)F

InChI Key InChIKey=JEEOGRYTTNEULC-UHFFFAOYSA-N

Data  5 IC50

PDB links: 3 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50018006   

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

US Patent
LigandPNGBDBM50018006(CHEMBL3289672 | US9238653, Table 5, Compound 49)
Affinity DataIC50: 22nMpH: 8.0Assay Description:For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2016
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Human)
University of Texas At Dallas

Curated by ChEMBL
LigandPNGBDBM50018006(CHEMBL3289672 | US9238653, Table 5, Compound 49)
Affinity DataIC50: 1.60E+3nMAssay Description:Inhibition of C-terminal His6-tagged human DHODH (amino acid residues 30 to 396) expressed in Escherichia coli BL21 cells assessed as orotic acid pro...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/10/2015
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Human)
University of Texas At Dallas

Curated by ChEMBL
LigandPNGBDBM50018006(CHEMBL3289672 | US9238653, Table 5, Compound 49)
Affinity DataIC50: 2.10E+3nMAssay Description:Inhibition of C-terminal His6-tagged human DHODH (amino acid residues 30 to 396) expressed in Escherichia coli BL21 cells assessed as orotic acid pro...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/10/2015
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Rat)
University of Texas At Dallas

Curated by ChEMBL
LigandPNGBDBM50018006(CHEMBL3289672 | US9238653, Table 5, Compound 49)
Affinity DataIC50: 49nMAssay Description:Inhibition of rat DHODH (amino acid residues 30 to 396) expressed in Escherichia coli BL21 cells assessed as orotic acid production using dihydroorot...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/10/2015
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Mouse)
University of Texas At Dallas

Curated by ChEMBL
LigandPNGBDBM50018006(CHEMBL3289672 | US9238653, Table 5, Compound 49)
Affinity DataIC50: 88nMAssay Description:Inhibition of mouse DHODH (amino acid residues 30 to 396) expressed in Escherichia coli BL21 cells assessed as orotic acid production using dihydroor...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/10/2015
Entry Details Article
PubMedPDB3D3D Structure (crystal)