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-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
CL000083 MCF-7 Homo sapiens (Human)  1
1
IC50 = 22 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 6 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 4 nM
2 IC50 = 7 nM
3 IC50 = 25 nM
4 Ki = 1.1 nM
5 Ki = 2.8 nM