BDBM72259 1-(1,5-dimethylhexyl)-3-[5-(dimethylsulfamoyl)-2-methyl-phenyl]thiourea::1-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-3-(6-methylheptan-2-yl)thiourea::1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-(6-methylheptan-2-yl)thiourea::MLS000417318::SMR000242500::cid_4423761

SMILES CC(C)CCCC(C)NC(=S)Nc1cc(ccc1C)S(=O)(=O)N(C)C

InChI Key InChIKey=SMHHZXHLHHRDSU-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 3 hits for monomerid = 72259   

LigandChemical structure of BindingDB Monomer ID 72259BDBM72259(3-(5-(4-(2-(3-(3-(4-chloro-3-ethyl-1H-pyrrolo [2, ...)
Affinity DataIC50: 10.5nMAssay 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:
4/15/2026
Entry Details US Patent

TargetAurora kinase A(Human)
BioFront

US Patent
LigandChemical structure of BindingDB Monomer ID 72259BDBM72259(3-(5-(4-(2-(3-(3-(4-chloro-3-ethyl-1H-pyrrolo [2, ...)
Affinity DataIC50: 10.6nMAssay 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:
4/15/2026
Entry Details US Patent

LigandChemical structure of BindingDB Monomer ID 72259BDBM72259(3-(5-(4-(2-(3-(3-(4-chloro-3-ethyl-1H-pyrrolo [2, ...)
Affinity DataIC50: 12.3nMAssay 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:
4/15/2026
Entry Details US Patent