BDBM470513 4-(3-ethyl-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-5-fluoro-N-(pentan-3-yl)-2-(pent-4-en-2-yloxy)benzamide, Mixture of Stereoisomers::US10815215, Example 172::US11130745, Example 172::US11713304, Example 172

SMILES CCC(CC)NC(=O)c1cc(F)c(cc1OC(C)CC=C)-n1nc(CC)n(C)c1=O

InChI Key InChIKey=UGTJUANYOBRDRW-UHFFFAOYSA-N

Data  6 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 6 hits for monomerid = 470513   

TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Homo sapiens (Human))
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM470513(4-(3-ethyl-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-tri...)
Affinity DataIC50:  18nMAssay Description:Assay 1: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Homo sapiens (Human))
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM470513(4-(3-ethyl-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-tri...)
Affinity DataIC50:  1.80nMAssay Description:Assay 2: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-Dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Homo sapiens (Human))
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM470513(4-(3-ethyl-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-tri...)
Affinity DataIC50:  1.80nMAssay Description:The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-Dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller et al. 196...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Homo sapiens (Human))
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM470513(4-(3-ethyl-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-tri...)
Affinity DataIC50:  1.80nMAssay Description:The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-Dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller et al., 19...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Homo sapiens (Human))
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM470513(4-(3-ethyl-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-tri...)
Affinity DataIC50:  18nMAssay Description:DHODH enzymatic assay 1: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Homo sapiens (Human))
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM470513(4-(3-ethyl-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-tri...)
Affinity DataIC50:  18nMAssay Description:The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller et al., 19...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent