Brief Information of the Compound and Protein
Compound Name
8-(6-BROMO-BENZO[1,3]DIOXOL-5-YLSULFANYL)-9-(3-ISOPROPYLAMINO-PROPYL)-ADENINE
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PubChem ID
CID: 6914564
SID: 16773728
Canonical SMILES
CC(C)NCCCn1c(Sc2cc3OCOc3cc2Br)nc2c(N)ncnc12
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Compound Formula C18H21BrN6O2S
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 = 55.4 nM
   TI
   LI
   LO
   TS
CL000261 SK-BR-3 Homo sapiens (Human)  2
1
EC50 = 38.8 nM
   TI
   LI
   LO
   TS
2
IC50 = 205 nM
   TI
   LI
   LO
   TS