BDBM50639123 CHEMBL4636197

SMILES CN1c2ccc(cc2C(=O)C13CCN(CC3)CC4CCOCC4)C(F)(F)F

InChI Key InChIKey=CEQWEVQYPPXCIW-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

  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 3 hits for monomerid = 50639123   

Target3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase(Mus musculus)
Genentech

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50639123BDBM50639123(CHEMBL4636197)
Affinity DataEC50:  5nMAssay Description:Inhibition of EBP in mouse Oligodendrocyte precursor cell assessed as zymostenol accumulation by GCMS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
LigandChemical structure of BindingDB Monomer ID 50639123BDBM50639123(CHEMBL4636197)
Affinity DataKi:  11nMAssay Description:Binding affinity to human EBP expressed in HEK293 cell membrane assessed as inhibition constant incubated for 3 hrs in presence of [3H]-labeled radio...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
LigandChemical structure of BindingDB Monomer ID 50639123BDBM50639123(CHEMBL4636197)
Affinity DataEC50:  33nMAssay Description:Inhibition of EBP in human Mesenchymal stem cells assessed as zymostenol accumulation by GCMS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMedPDB3D3D Structure (crystal)