BDBM50598905 CHEMBL5180161

SMILES CCN1C(=NN(C1=O)c2c(cc(c(n2)O[C@@H](C)C(F)(F)F)C(=O)Nc3c(cccc3Cl)F)F)CO

InChI Key InChIKey=OTVJNMGRFHZVRL-UHFFFAOYSA-N

Data  2 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50598905   

TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Human)
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50598905(CHEMBL5180161)
Affinity DataIC50: 0.200nMAssay 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)
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50598905(CHEMBL5180161)
Affinity DataIC50: 0.240nMAssay Description:Inhibition of human DHODH in MOLM-13 AML cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMedPDB3D3D Structure (crystal)