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Compile Data Set for Download or QSAR
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
15
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Target
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Rattus norvegicus (rat))
Hoechst Marion Roussel
Curated by
ChEMBL
Ligand
BDBM50054601
(5-Methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazole...)
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Affinity Data
IC50: 9nM
Assay Description:
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat
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Target
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Mus musculus)
Hoechst Marion Roussel
Curated by
ChEMBL
Ligand
BDBM50054601
(5-Methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazole...)
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Affinity Data
IC50: 30nM
Assay Description:
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse
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Target
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human))
University Of Kragujevac
Curated by
ChEMBL
Ligand
BDBM50054601
(5-Methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazole...)
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Affinity Data
IC50: 800nM
Assay Description:
Inhibition of human DHODH
More data for this Ligand-Target Pair
Target Info
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antibodypedia
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Target
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Rattus norvegicus (rat))
Hoechst Marion Roussel
Curated by
ChEMBL
Ligand
BDBM50054601
(5-Methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazole...)
Copy SMILES
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Affinity Data
IC50: 1.60E+3nM
Assay Description:
Inhibition of DHODH in Wistar rat liver homogenates by DCIP reduction assay
More data for this Ligand-Target Pair
Target Info
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PubMed
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Target
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human))
University Of Kragujevac
Curated by
ChEMBL
Ligand
BDBM50054601
(5-Methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazole...)
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Affinity Data
IC50: 1.00E+4nM
Assay Description:
Immunosuppressive activity of the compound expressed as ability to inhibit human recombinant dihydroorotate dehydrogenase (DHODH)
More data for this Ligand-Target Pair
Target Info
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KEGG
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Target
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human))
University Of Kragujevac
Curated by
ChEMBL
Ligand
BDBM50054601
(5-Methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazole...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 1.30E+4nM
Assay Description:
In vitro inhibitory activity against human dihydroorotate dehydrogenase (DHODH)
More data for this Ligand-Target Pair
Target Info
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Target
Bile salt export pump
(Homo sapiens (Human))
Astrazeneca
Curated by
ChEMBL
Ligand
BDBM50054601
(5-Methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazole...)
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Affinity Data
IC50: 1.10E+5nM
Assay Description:
Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...
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Target Info
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Target
Bile salt export pump
(Rattus norvegicus)
Astrazeneca
Curated by
ChEMBL
Ligand
BDBM50054601
(5-Methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazole...)
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Affinity Data
IC50: 1.12E+5nM
Assay Description:
Inhibition of Sprague-Dawley rat Bsep expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate up...
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Target Info
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Target
ATP-binding cassette sub-family C member 2
(Homo sapiens (Human))
Amgen
Curated by
ChEMBL
Ligand
BDBM50054601
(5-Methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazole...)
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Affinity Data
IC50: >1.33E+5nM
Assay Description:
Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...
More data for this Ligand-Target Pair
Target Info
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Target
ATP-binding cassette sub-family C member 4
(Homo sapiens (Human))
Amgen
Curated by
ChEMBL
Ligand
BDBM50054601
(5-Methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazole...)
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Affinity Data
IC50: >1.33E+5nM
Assay Description:
Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
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Article
PubMed
Copy BDB DOI
Target
Bile salt export pump
(Homo sapiens (Human))
Astrazeneca
Curated by
ChEMBL
Ligand
BDBM50054601
(5-Methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazole...)
Copy SMILES
Copy InChI
Affinity Data
IC50: >1.33E+5nM
Assay Description:
Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
Ligand Info
Purchase
ChEBI
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In Depth
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Article
PubMed
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Target
ATP-binding cassette sub-family C member 3
(Homo sapiens (Human))
Amgen
Curated by
ChEMBL
Ligand
BDBM50054601
(5-Methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazole...)
Copy SMILES
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Affinity Data
IC50: >1.33E+5nM
Assay Description:
Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
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Ligand Info
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ChEBI
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In Depth
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Article
PubMed
Copy BDB DOI
Target
Bile salt export pump
(Homo sapiens (Human))
Astrazeneca
Curated by
ChEMBL
Ligand
BDBM50054601
(5-Methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazole...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 1.77E+5nM
Assay Description:
Inhibition of human BSEP expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptake
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
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Target
Protein-arginine deiminase type-4
(Homo sapiens (Human))
University Of South Carolina
Curated by
ChEMBL
Ligand
BDBM50054601
(5-Methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazole...)
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Affinity Data
IC50: 2.40E+6nM
Assay Description:
Inhibition of PAD4 by ABPP-based assay
More data for this Ligand-Target Pair
Target Info
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KEGG
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Target
Matrix metalloproteinase-14 [1-36]
(Homo sapiens (Human))
Sanford-Burnham Center For Chemical Genomics
Curated by
PubChem BioAssay
Ligand
BDBM50054601
(5-Methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazole...)
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Affinity Data
EC50: 5.65E+3nM
Assay Description:
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...
More data for this Ligand-Target Pair
Target Info
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