BDBM50650204 CHEMBL5624912

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

InChI Key

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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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: 3.60nMAssay Description:Inhibition of human CYP1B1 in human liver microsomes by LC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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: 3.60nMAssay Description:Inhibition of human recombinant CYP1B1 assessed as fluorescence of resorufinMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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:  3.90nMAssay Description:Competitive inhibition of human CYP1B1 overexpressed in CHO cells assessed as protein catalyzed 7-ER O-deethylation by kinetic analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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: 550nMAssay Description:Inhibition of human CYP1B1 overexpressed in CHO cells assessed as protein catalyzed estradiol hydroxylation in living cells by measuring residual act...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed