BDBM50650201 CHEMBL5630143

SMILES COc1cc(OC(C)=O)ccc1/C=C/C(=O)c1ccc(C(F)(F)F)cc1

InChI Key InChIKey=WAAPQMLXNKNOBY-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50650201   

TargetCytochrome P450 1B1(Human)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50650201(CHEMBL5630143)
Affinity DataIC50: 21nMMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed