BDBM470467 N-(2,6-dichlorophenyl)-5-fluoro-4-[3-(2-hydroxypropan-2-yl)-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}benzamide::US10815215, Example 133
SMILES: C[C@H](Oc1cc(c(F)cc1C(=O)Nc1c(Cl)cccc1Cl)-n1nc(n(C)c1=O)C(C)(C)O)C(F)(F)F
InChI Key: InChIKey=SRQHOZODOPZVCU-JTQLQIEISA-N
Data: 1 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 (Homo sapiens (Human)) | BDBM470467![]() (N-(2,6-dichlorophenyl)-5-fluoro-4-[3-(2-hydroxypro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydroorotate dehydrogenase (Homo sapiens (Human)) | BDBM470467![]() (N-(2,6-dichlorophenyl)-5-fluoro-4-[3-(2-hydroxypro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | US Patent | n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGELLSCHAFT; THE BROAD INSTITUTE, INC.; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; THE GENERAL HOSPITAL CORPORATION US Patent | Assay Description Assay 1: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e... | US Patent US10815215 (2020) | |||||||||||
More data for this Ligand-Target Pair |