BDBM50549953 CHEMBL4751399::US11505536, Example 93

SMILES CCN1C(=NN(C1=O)c2cc3c(cc2F)C(=O)N(C=C3C(C)C)c4ccccc4C)CO

InChI Key InChIKey=BZKHQYHQHLKJNX-UHFFFAOYSA-N

Data  5 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

  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 = 50549953   

TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Human)
Smith, Gambrell & Russell

Curated by ChEMBL
LigandPNGBDBM50549953(CHEMBL4751399 | US11505536, Example 93)
Affinity DataIC50: 0.396nMAssay Description:Inhibition of human DHODH (30 to 390 residues) expressed in Escherichia coli using dihydroorotate as substrate and CoQ10 as co-substrate by DCIP dye ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Human)
Smith, Gambrell & Russell

Curated by ChEMBL
LigandPNGBDBM50549953(CHEMBL4751399 | US11505536, Example 93)
Affinity DataIC50: 0.396nMAssay 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
Go to US Patent
PDB3D3D Structure (crystal)
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Human)
Smith, Gambrell & Russell

Curated by ChEMBL
LigandPNGBDBM50549953(CHEMBL4751399 | US11505536, Example 93)
Affinity DataIC50: 0.463nMAssay 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
Go to US Patent
PDB3D3D Structure (crystal)
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Human)
Smith, Gambrell & Russell

Curated by ChEMBL
LigandPNGBDBM50549953(CHEMBL4751399 | US11505536, Example 93)
Affinity DataIC50: 0.400nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetKappa-type opioid receptor(Human)
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50549953(CHEMBL4751399 | US11505536, Example 93)
Affinity DataIC50: 1.40E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Human)
Smith, Gambrell & Russell

Curated by ChEMBL
LigandPNGBDBM50549953(CHEMBL4751399 | US11505536, Example 93)
Affinity DataKd:  2.20nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)