Brief Information of the Compound and Protein
Compound Name
4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-2-[(4-hydroxycyclohexyl)amino]benzamide
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Canonical SMILES
CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(NC3CCC(O)CC3)c2)C(F)(F)F)C(=O)C1
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Compound Formula C23H27F3N4O3
Compound Structure
Protein Name
Heat shock protein HSP 90-alpha
Protein Classification
Other cytosolic protein
Uniprot ID
P07900
Gene Name
HSP90AA1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000083 MCF-7 Homo sapiens (Human)  1
1
EC50 = 19 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 4 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 3 nM
2 IC50 = 6 nM
3 IC50 = 29 nM
4 Kd = 4 nM