BDBM50594986 CHEMBL5202345

SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)OCCOCCOCCOc2ccc(c(F)c2)-c2ccc(cc2)-c2nc3ccc(F)cc3c(C(O)=O)c2C)C(C)(C)C)cc1

InChI Key InChIKey=WIMJPCNIHZOTEN-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50594986   

TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Human)
West China Hospital

Curated by ChEMBL
LigandPNGBDBM50594986(CHEMBL5202345)
Affinity DataIC50: 93nMAssay Description:Inhibition of human DHODH expressed in Escherichia coli Rosetta 2 (DE3) using dihydroorotate as substrate and CoQ6 as co-substrate incubated for 30 m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed