BDBM581533 6-(4-Ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-7-fluoro- 2-(o-tolyl)-4-(3,3,3-trifluoroprop-1-en-2-yl)isoquinolin-1(2H)-one::US11505536, Example 81

SMILES CCn1c(CO)nn(-c2cc3c(cn(-c4ccccc4C)c(=O)c3cc2F)C(=C)C(F)(F)F)c1=O

InChI Key InChIKey=ZWYJXUREFIEHIL-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 581533   

TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Human)
Janssen Biotech

US Patent
LigandPNGBDBM581533(US11505536, Example 81 | 6-(4-Ethyl-3-(hydroxymeth...)
Affinity DataIC50: 0.226nMAssay Description:The following assay is referred to herein as the DHODH Enzymatic Assay. To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/21/2023
Entry Details
US Patent