Brief Information of the Compound and Protein
Compound Name
(2R,6S,10R,11S)-4-(4-Bromo-3-methyl-phenyl)-10,11-dihydroxy-4-aza-tricyclo[5.2.2.0*2,6*]undec-8-ene-3,5-dione
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PubChem ID
CID: 44392246
Canonical SMILES
Cc1cc(N2C(=O)[C@@H]3C4C=CC([C@H](O)[C@@H]4O)[C@@H]3C2=O)ccc1Br
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Compound Formula C17H16BrNO4
Compound Structure
Protein Name
Androgen receptor
Protein Classification
Transcription factor
>
Nuclear receptor
>
Nuclear hormone receptor subfamily 3
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Nuclear hormone receptor subfamily 3 group C
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Nuclear hormone receptor subfamily 3 group C member 4
Uniprot ID
P10275
Gene Name
AR
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000141 LNCaP Homo sapiens (Human)  2
1
IC50 = 59 nM
   TI
   LI
   LO
   TS
2
Ki = 33 nM
   TI
   LI
   LO
   TS
CL000284 MDA-MB-453 Homo sapiens (Human)  2
1
IC50 = 5240 nM
   TI
   LI
   LO
   TS
2
Ki = 432 nM
   TI
   LI
   LO
   TS