BDBM72631 MLS000775155::N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(phenylsulfonyl)benzenecarboximidamide::N-(benzenesulfonyl)-N'-[2-(3,4-dimethoxyphenyl)ethyl]benzenecarboximidamide::N-besyl-N'-homoveratryl-benzamidine::SMR000364898::cid_4421035

SMILES COc1ccc(CC\N=C(/NS(=O)(=O)c2ccccc2)c2ccccc2)cc1OC

InChI Key InChIKey=YSRONXZYDOACAX-UHFFFAOYSA-N

Data  1 EC50

  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 6 hits for monomerid = 72631   

TargetCholinesterase(Human)
Uniwersytet Jagiellonski

US Patent
LigandChemical structure of BindingDB Monomer ID 72631BDBM72631(US12492163, Name (7))
Affinity DataIC50: 268nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/20/2026
Entry Details US Patent

TargetCarboxylic ester hydrolase(Horse)
Uniwersytet Jagiellonski

US Patent
LigandChemical structure of BindingDB Monomer ID 72631BDBM72631(US12492163, Name (7))
Affinity DataIC50: 278nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/20/2026
Entry Details US Patent

TargetSodium- and chloride-dependent GABA transporter 1(Mouse)
Uniwersytet Jagiellonski

US Patent
LigandChemical structure of BindingDB Monomer ID 72631BDBM72631(US12492163, Name (7))
Affinity DataIC50: 6.31E+3nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/20/2026
Entry Details US Patent

TargetBeta-secretase 1(Human)
Uniwersytet Jagiellonski

US Patent
LigandChemical structure of BindingDB Monomer ID 72631BDBM72631(US12492163, Name (7))
Affinity DataIC50: 7.23E+3nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/20/2026
Entry Details US Patent

TargetSodium- and chloride-dependent betaine transporter(Mouse)
Uniwersytet Jagiellonski

US Patent
LigandChemical structure of BindingDB Monomer ID 72631BDBM72631(US12492163, Name (7))
Affinity DataIC50: 2.37E+6nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/20/2026
Entry Details US Patent

TargetSodium- and chloride-dependent GABA transporter 2(Mouse)
Uniwersytet Jagiellonski

US Patent
LigandChemical structure of BindingDB Monomer ID 72631BDBM72631(US12492163, Name (7))
Affinity DataIC50: 3.35E+6nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/20/2026
Entry Details US Patent