Brief Information of the Compound and Protein
Compound Name
8-(6-iodo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(pent-4-ynyl)adenine
    Show/Hide
PubChem ID
CID: 11677337
SID: 16781358
Canonical SMILES
Nc1ncnc2n(CCCC#C)c(Sc3cc4OCOc4cc3I)nc12
    Show/Hide
Compound Formula C17H14IN5O2S
Compound Structure
Protein Name
Heat shock protein HSP 90-beta
Protein Classification
Other cytosolic protein
Uniprot ID
P08238
Gene Name
HSP90AB1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000196 MDA-MB-468 Homo sapiens (Human)  1
1
EC50 = 10.9 nM
   TI
   LI
   LO
   TS
CL000261 SK-BR-3 Homo sapiens (Human)  2
1
EC50 = 10.8 nM
   TI
   LI
   LO
   TS
2
IC50 = 100 nM
   TI
   LI
   LO
   TS