BDBM83797 6-Bromo-4-dimethylaminomethyl-5-hydroxy-1-methyl-2-phenylsulfanylmethyl-1H-indole-3-carboxylic acid ethyl ester::6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylthio)methyl]-3-indolecarboxylic acid ethyl ester::6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylthio)methyl]indole-3-carboxylic acid ethyl ester::MLS000777586::SMR000413980::cid_131411::ethyl 6-bromanyl-4-[(dimethylamino)methyl]-1-methyl-5-oxidanyl-2-(phenylsulfanylmethyl)indole-3-carboxylate::ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate

SMILES CCOC(=O)c1c(n(c2c1c(c(c(c2)Br)O)CN(C)C)C)CSc3ccccc3

InChI Key InChIKey=KCFYEAOKVJSACF-UHFFFAOYSA-N

Data  1 IC50  2 Kd

PDB links: 2 PDB IDs match this monomer.

  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 1 hit for monomerid = 83797   

TargetHemagglutinin(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)
Ocean University of China

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 83797BDBM83797(ethyl 6-bromanyl-4-[(dimethylamino)methyl]-1-methy...)
Affinity DataKd:  5.14E+4nMAssay Description:Binding affinity to Influenza A virus (A/Puerto Rico/8/34) Hemagglutinin by surface plasmon resonance (SPR) assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed