Brief Information of the Compound and Protein
Compound Name
 Compound Info 
8-(6-iodo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isopropylamino-propyl)adenine
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 PubChem ID
CID: 9549213
SID: 16613741
Canonical SMILES
CC(C)NCCCn1c(Sc2cc3OCOc3cc2I)nc2c(N)ncnc12
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Compound Formula C18H21IN6O2S
Compound Structure
Protein Name
 Protein Info 
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
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 10.2 nM
   TI
   LI
   LO
   TS
CL000261 SK-BR-3
 Cell Line Info 
Homo sapiens (Human)  2
1
EC50 = 16.1 nM
   TI
   LI
   LO
   TS
2
IC50 = 50 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 16 nM
2 IC50 = 42 nM