BDBM50654562 CHEMBL6103417

SMILES COc1ccc(-c2cc(-c3ccc(Br)cc3)nc(NC(=S)N[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)n2)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 2 hits for monomerid = 50654562   

TargetDipeptidyl peptidase 4(Human)
University of Science (Vietnam National University)

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50654562BDBM50654562(CHEMBL6103417)
Affinity DataIC50: 36nMAssay Description:Antagonist activity at ERbeta (unknown origin) assessed as inhibition of E2-induced receptor activation after 22 hrs by cell-based luciferase reporte...More data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/4/2026
Entry Details PubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Human)
University of Science (Vietnam National University)

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50654562BDBM50654562(CHEMBL6103417)
Affinity DataIC50: 1.03E+4nMAssay Description:Antagonist activity at alpha5beta1 integrin receptor (unknown origin) by cell-based ELISAMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/4/2026
Entry Details PubMed