BindingDB

null

SMILES C\C(O)=C(/C#N)C(=O)Nc1ccc(cc1)C(F)(F)F

InChI Key InChIKey=UTNUDOFZCWSZMS-YFHOEESVSA-N

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50018011

Dihydroorotate dehydrogenase (quinone), mitochondrial(Homo sapiens (Human))
Chinese Academy of Sciences

BDBM50018011(Aubagio | CHEBI:68540 | HMR-1726 | TERIFLUNOMIDE)copy SMILEScopy InChI

IC50: 64nMpH: 8.0Assay Description:Recombinant human DHODH (final enzyme concentration between 20 and 60 nM in the assay well) were incubated at 37 �C in 50 mM Tris-HCl, 0.1% Triton X-...More data for this Ligand-Target Pair

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Details Article
BindingDB Entry DOI: 10.7270/Q2JH3JXMPubMed PDB

3D Structure (crystal)

Targets 3 ▿
- Dihydroorotate dehydrogenase (quinone), mitochondrial 23
- Calcium release-activated calcium channel protein/Stromal interaction molecule 1 1
- Dihydrofolate reductase 1
Publications 11 ▿
- J Med Chem 57: 5381-94 (2014) 4
- J Med Chem 63: 4929-4956 (2020) 3
- Eur J Med Chem 183: (2019) 2
- Eur J Med Chem 167: 357-366 (2019) 2
- J Med Chem 58: 5579-98 (2015) 1
- J Med Chem 61: 6034-6055 (2018) 1
- Chem Biol Drug Des 86: 626-36 (2015) 1
- Bioorg Med Chem Lett 26: 3064-6 (2016) 1
- Eur J Med Chem 129: 287-302 (2017) 1
- J Med Chem 58: 1123-39 (2015) 1
- J Med Chem 58: 860-77 (2015) 1
Institutions 10 ▿
- [University of Texas Southwestern Medical Center at Dallas] 4
- [University of Washington] 3
- [Universidade de S£o Paulo, Institut Pasteur, University of Turin (UniTo)] 2
- [Universidade de S£o Paulo, Institut Pasteur, University of Turin (UniTo)] 2
- [Universidade de S£o Paulo, Institut Pasteur, University of Turin (UniTo)] 2
- [Chinese Academy of Sciences, University of Turin, University of Torino, East China University of Science and Technology, East China University of Science and Techology] 1
- [Chinese Academy of Sciences, University of Turin, University of Torino, East China University of Science and Technology, East China University of Science and Techology] 1
- [Chinese Academy of Sciences, University of Turin, University of Torino, East China University of Science and Technology, East China University of Science and Techology] 1
- [Chinese Academy of Sciences, University of Turin, University of Torino, East China University of Science and Technology, East China University of Science and Techology] 1
- [Chinese Academy of Sciences, University of Turin, University of Torino, East China University of Science and Technology, East China University of Science and Techology] 1
Affinity: 17 to 1.9E+5 nM▿
- IC50 23
- EC50 2
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 0
Catalog Cmpds: 1