BDBM50018006 CHEMBL3289672::US9238653, Table 5, Compound 49
SMILES: Cc1cc(Nc2cc(F)c(c(F)c2)C(F)(F)F)n2nc(nc2n1)C(F)(F)F
InChI Key: InChIKey=JEEOGRYTTNEULC-UHFFFAOYSA-N
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)) | BDBM50018006 (CHEMBL3289672 | US9238653, Table 5, Compound 49) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB US Patent | n/a | n/a | 22 | 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 | 3D Structure (crystal) | ||||||||||||
Dihydroorotate dehydrogenase (Homo sapiens (Human)) | BDBM50018006 (CHEMBL3289672 | US9238653, Table 5, Compound 49) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 1.60E+3 | 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 | 3D Structure (crystal) | ||||||||||||
Dihydroorotate dehydrogenase (Mus musculus) | BDBM50018006 (CHEMBL3289672 | US9238653, Table 5, Compound 49) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 88 | 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 | 3D Structure (crystal) | ||||||||||||
Dihydroorotate Dehydrogenase (DHODH) (Rattus norvegicus (rat)) | BDBM50018006 (CHEMBL3289672 | US9238653, Table 5, Compound 49) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 49 | 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 | 3D Structure (crystal) | ||||||||||||
Dihydroorotate dehydrogenase (Homo sapiens (Human)) | BDBM50018006 (CHEMBL3289672 | US9238653, Table 5, Compound 49) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 2.10E+3 | 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 | 3D Structure (crystal) |