BDBM50345442 CHEMBL1784577::N-(3,5-Difluoro-4-(trifluoromethyl)phenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine::US9238653, Table 5, Compound 13
SMILES: Cc1cc(Nc2cc(F)c(c(F)c2)C(F)(F)F)n2ncnc2n1
InChI Key: InChIKey=BWISZTGNXTUWEB-UHFFFAOYSA-N
Data: 7 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7)) | BDBM50345442 (CHEMBL1784577 | N-(3,5-Difluoro-4-(trifluoromethyl...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 190 | n/a | n/a | n/a | n/a | 8.0 | n/a |
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON US Patent | Assay 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)... | US Patent US9238653 (2016) BindingDB Entry DOI: 10.7270/Q2D79954 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydroorotate Dehydrogenase (DHODH) (Rattus norvegicus (rat)) | BDBM50345442 (CHEMBL1784577 | N-(3,5-Difluoro-4-(trifluoromethyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Texas Southwestern Medical Center at Dallas Curated by ChEMBL | Assay Description Inhibition of rat DHODH (amino acid residues 30 to 396) expressed in Escherichia coli BL21 cells assessed as orotic acid production using dihydroorot... | J Med Chem 57: 5381-94 (2014) Article DOI: 10.1021/jm500481t BindingDB Entry DOI: 10.7270/Q2WM1FZ6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydroorotate dehydrogenase (Homo sapiens (Human)) | BDBM50345442 (CHEMBL1784577 | N-(3,5-Difluoro-4-(trifluoromethyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Texas Southwestern Medical Center at Dallas Curated by ChEMBL | Assay 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... | J Med Chem 57: 5381-94 (2014) Article DOI: 10.1021/jm500481t BindingDB Entry DOI: 10.7270/Q2WM1FZ6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydroorotate dehydrogenase (Homo sapiens (Human)) | BDBM50345442 (CHEMBL1784577 | N-(3,5-Difluoro-4-(trifluoromethyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of human DHODH expressed in Escherichia coli by DCIP staining-based spectrophotometric analysis | Eur J Med Chem 165: 332-346 (2019) Article DOI: 10.1016/j.ejmech.2019.01.027 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydroorotate dehydrogenase (Homo sapiens (Human)) | BDBM50345442 (CHEMBL1784577 | N-(3,5-Difluoro-4-(trifluoromethyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington Curated by ChEMBL | Assay Description Inhibition of His6-tagged recombinant human dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as substrate after 10 t... | J Med Chem 54: 3935-49 (2011) Article DOI: 10.1021/jm200265b BindingDB Entry DOI: 10.7270/Q2FN16HS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydroorotate Dehydrogenase (DHODH) (Plasmodium falciparum) | BDBM50345442 (CHEMBL1784577 | N-(3,5-Difluoro-4-(trifluoromethyl...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington Curated by ChEMBL | Assay Description Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs... | J Med Chem 54: 3935-49 (2011) Article DOI: 10.1021/jm200265b BindingDB Entry DOI: 10.7270/Q2FN16HS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydroorotate dehydrogenase (Mus musculus) | BDBM50345442 (CHEMBL1784577 | N-(3,5-Difluoro-4-(trifluoromethyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Texas Southwestern Medical Center at Dallas Curated by ChEMBL | Assay Description Inhibition of mouse DHODH (amino acid residues 30 to 396) expressed in Escherichia coli BL21 cells assessed as orotic acid production using dihydroor... | J Med Chem 57: 5381-94 (2014) Article DOI: 10.1021/jm500481t BindingDB Entry DOI: 10.7270/Q2WM1FZ6 | |||||||||||
More data for this Ligand-Target Pair |