BDBM50638379 CHEMBL5561803

SMILES O=C(COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCOc1ccc(N(CC(F)(F)F)S(=O)(=O)C2CC3OC2C(c2ccc(-n4ccnc4)cc2)=C3c2ccc(O)cc2)cc1

InChI Key

  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 3 hits for monomerid = 50638379   

TargetEstrogen receptor(Human)
Zhongnan Hospital of Wuhan University

Curated by ChEMBL
LigandPNGBDBM50638379(CHEMBL5561803)
Affinity DataKi:  460nMAssay Description:Binding affinity to human ERalpha assessed as inhibition constant incubated under dark condition for 2 hrs by competitive fluorometric binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetEstrogen receptor beta(Human)
Zhongnan Hospital of Wuhan University

Curated by ChEMBL
LigandPNGBDBM50638379(CHEMBL5561803)
Affinity DataKi: >7.90E+4nMAssay Description:Binding affinity to human ERbeta assessed as inhibition constant incubated under dark condition for 2 hrs by competitive fluorometric binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetAromatase(Human)
Zhongnan Hospital of Wuhan University

Curated by ChEMBL
LigandPNGBDBM50638379(CHEMBL5561803)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant human aromatase using ARO substrate/NADP+ mixture by fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed