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  1 EC50

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 83797   

TargetOrotidine 5'-phosphate decarboxylase(Aspergillus niger)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM83797(ethyl 6-bromanyl-4-[(dimethylamino)methyl]-1-methy...)
Affinity DataEC50: >5.97E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/5/2012
Entry Details
PCBioAssay
TargetHemagglutinin(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM83797(ethyl 6-bromanyl-4-[(dimethylamino)methyl]-1-methy...)
Affinity DataKd:  1.11E+4nMAssay Description:Binding affinity to Influenza A virus (A/Puerto Rico/8/1934(H1N1)) Hemagglutinin at 1.5625 to 50 uM by SPR assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetSpike glycoprotein(2019-nCoV)
Shandong University

Curated by ChEMBL
LigandPNGBDBM83797(ethyl 6-bromanyl-4-[(dimethylamino)methyl]-1-methy...)
Affinity DataIC50: 4.11E+3nMAssay Description:Inhibition of SARS-COV2 spike protein mediated infection of human ACE2 expressing cells at 50 uM by SPR analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetHemagglutinin(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM83797(ethyl 6-bromanyl-4-[(dimethylamino)methyl]-1-methy...)
Affinity DataKd:  5.14E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed