BDBM50644946 CHEMBL5575235

SMILES O=C1c2cccc3c(Br)ccc(c23)C(=O)N1Cc1cncnc1

InChI Key

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50644946   

TargetCytochrome P450 1B1(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50644946(CHEMBL5575235)
Affinity DataIC50: 0.0400nMAssay Description:Inhibition of recombinant human CYP1B1 using 7-ER as substrate in presence of NADPH by fluorescence based assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50644946(CHEMBL5575235)
Affinity DataIC50: 0.470nMAssay Description:Inhibition of human CYP1B1 over-expressed in CHO cells preincubated for 3 hrs followed media replacement containing estradiol without compound measur...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50644946(CHEMBL5575235)
Affinity DataKi:  22nMAssay Description:Mixed inhibition of recombinant human CYP1B1 using 7-ER as substrate in presence of NADPH by fluorescence based assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed