Brief Information of the Compound and Protein
Compound Name
8-(6-Bromo-benzo[1,3]dioxol-5-ylsulfanyl)-9-pent-4-ynyl-9H-purin-6-ylamine
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PubChem ID
CID: 11407809
SID: 16503470
Canonical SMILES
Nc1ncnc2n(CCCC#C)c(Sc3cc4OCOc4cc3Br)nc12
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Compound Formula C17H14BrN5O2S
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 = 77.1 nM
   TI
   LI
   LO
   TS
CL000261 SK-BR-3 Homo sapiens (Human)  2
1
EC50 = 50.4 nM
   TI
   LI
   LO
   TS
2
IC50 = 365 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Activity = 30 nM
2 EC50 = 30 nM