Brief Information of the Compound and Protein
Compound Name
(1S,6R,7S)-8-(4-Butyl-benzoyl)-4-(4-nitro-phenyl)-2,4,8-triaza-tricyclo[5.2.1.0*2,6*]decane-3,5-dione
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PubChem ID
CID: 44396962
Canonical SMILES
CCCCc1ccc(C(=O)N2C[C@@H]3C[C@H]2[C@@H]2C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)N32)cc1
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Compound Formula C24H24N4O5
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)  1
1
IC50 = 4750 nM
   TI
   LI
   LO
   TS
CL000284 MDA-MB-453 Homo sapiens (Human)  2
1
IC50 = 60 nM
   TI
   LI
   LO
   TS
2
Ki = 70 nM
   TI
   LI
   LO
   TS