Brief Information of the Compound and Protein
Compound Name
2-fluoro-8-(6-bromo-benzo[1,3]dioxol-5-ylmethyl)-9-(pent-4-ynyl)adenine
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PubChem ID
CID: 11539274
SID: 16641383
Canonical SMILES
Nc1nc(F)nc2n(CCCC#C)c(Cc3cc4OCOc4cc3Br)nc12
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Compound Formula C18H15BrFN5O2
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 = 30.5 nM
   TI
   LI
   LO
   TS
CL000261 SK-BR-3 Homo sapiens (Human)  2
1
EC50 = 56.5 nM
   TI
   LI
   LO
   TS
2
IC50 = 210 nM
   TI
   LI
   LO
   TS