BDBM50650204 CHEMBL5624912

SMILES COc1cc(OC)c(/C=C/C(=O)c2ccc(C(F)(F)F)cc2)cc1Cl

InChI Key InChIKey=GZKKJKLQMUSIDJ-UHFFFAOYSA-N

Data  1 KI  3 IC50

  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 4 hits for monomerid = 50650204   

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

Curated by ChEMBL
LigandPNGBDBM50650204(CHEMBL5624912)
Affinity DataIC50: 3.60nMMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50650204(CHEMBL5624912)
Affinity DataIC50: 550nMMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50650204(CHEMBL5624912)
Affinity DataIC50: 3.60nMMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50650204(CHEMBL5624912)
Affinity DataKi:  3.90nMMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed