BDBM72254 MLS000723162::N-[(5-benzylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide::N-[[4-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide::N-[[4-phenyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide::N-[[5-(benzylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide::SMR000236044::cid_4583868

SMILES [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)NCc1nnc(SCc2ccccc2)n1-c1ccccc1

InChI Key

Data  1 EC50

  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 3 hits for monomerid = 72254   

LigandChemical structure of BindingDB Monomer ID 72254BDBM72254(5-(1-(2-(3-(3-(4-chloro-3-ethyl-1H-pyrrolo [2, 3-b...)
Affinity DataIC50: 5.80nMAssay 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 72254BDBM72254(5-(1-(2-(3-(3-(4-chloro-3-ethyl-1H-pyrrolo [2, 3-b...)
Affinity DataIC50: 13.6nMAssay 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

TargetAurora kinase A(Human)
BioFront

US Patent
LigandChemical structure of BindingDB Monomer ID 72254BDBM72254(5-(1-(2-(3-(3-(4-chloro-3-ethyl-1H-pyrrolo [2, 3-b...)
Affinity DataIC50: 50.8nMAssay 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