BDBM50618382 CHEMBL5428681

SMILES CCN(c1ccc(OC)cc1)S(=O)(=O)C1CC2OC1C(c1ccc(-n3cncn3)cc1)=C2c1ccc(O)cc1

InChI Key InChIKey=AWHHRNMFBYJONG-UHFFFAOYSA-N

Data  2 KI  1 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 3 hits for monomerid = 50618382   

TargetAromatase(Human)
Zhongnan Hospital of Wuhan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50618382BDBM50618382(CHEMBL5428681)
Affinity DataIC50: 101nMAssay Description:Inhibition of human recombinant aromatase using ARO as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
TargetEstrogen receptor(Human)
Zhongnan Hospital of Wuhan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50618382BDBM50618382(CHEMBL5428681)
Affinity DataKi:  230nMAssay Description:Binding affinity to ERalpha (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
TargetEstrogen receptor beta(Human)
Zhongnan Hospital of Wuhan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50618382BDBM50618382(CHEMBL5428681)
Affinity DataKi:  390nMAssay Description:Binding affinity to ERbeta (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed