BDBM470454 N-(2-chloro-6-fluorophenyl)-4-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}benzamide::US10815215, Example 121::US11130745, Example 121::US11713304, Example 121::US20240034730, Compound BAY-2402234

SMILES CCN1C(=NN(C1=O)c2cc(c(cc2F)C(=O)Nc3c(cccc3Cl)F)O[C@@H](C)C(F)(F)F)CO

InChI Key InChIKey=KNVJMHHAXCPZHF-UHFFFAOYSA-N

Data  7 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 470454   

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

US Patent
LigandPNGBDBM470454(N-(2-chloro-6-fluorophenyl)-4-[4-ethyl-3-(hydroxym...)
Affinity DataIC50: 4.17nMAssay 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
In Depth
Date in BDB:
6/13/2021
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Human)
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM470454(N-(2-chloro-6-fluorophenyl)-4-[4-ethyl-3-(hydroxym...)
Affinity DataIC50: 4.17nMAssay 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
In Depth
Date in BDB:
3/8/2022
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Human)
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM470454(N-(2-chloro-6-fluorophenyl)-4-[4-ethyl-3-(hydroxym...)
Affinity DataIC50: 4.17nMAssay 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
In Depth
Date in BDB:
9/4/2023
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Human)
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM470454(N-(2-chloro-6-fluorophenyl)-4-[4-ethyl-3-(hydroxym...)
Affinity DataIC50: 1.20nMAssay Description:Inhibition of His fused human DHODH expressed in Escherichia coli using DHO as substrate by DCIP absorbance based colorimetry assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Human)
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM470454(N-(2-chloro-6-fluorophenyl)-4-[4-ethyl-3-(hydroxym...)
Affinity DataIC50: 4.20nMAssay Description:Inhibition of human DHODH using dihydroorotate substrate preincubated for 30 mins followed by substrate addition by DCIP based microplate reader anal...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Human)
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM470454(N-(2-chloro-6-fluorophenyl)-4-[4-ethyl-3-(hydroxym...)
Affinity DataIC50: 6nMAssay Description:The enzymatic inhibition assay was optimized for being performed on a 96 well plate and to achieve higher throughput. For each well of the plate a to...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/4/2024
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Human)
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM470454(N-(2-chloro-6-fluorophenyl)-4-[4-ethyl-3-(hydroxym...)
Affinity DataIC50: 6nMAssay Description:Inhibition of human recombinant N-terminal GST-tagged DHODH expressed in Escherichia coli BL21(DE3) using dihydroorotate substrate preincubated for 5...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)