Brief Information of the Compound and Protein
Compound Name
4-[(1S,6R,7S)-8-(4-Butyl-benzoyl)-3,5-dioxo-2,4,8-triaza-tricyclo[5.2.1.0*2,6*]dec-4-yl]-benzonitrile
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PubChem ID
CID: 44397177
Canonical SMILES
CCCCc1ccc(C(=O)N2C[C@@H]3C[C@H]2[C@@H]2C(=O)N(c4ccc(C#N)cc4)C(=O)N32)cc1
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Compound Formula C25H24N4O3
Compound Structure
Protein Name
Androgen receptor
Protein Classification
Transcription factor
>
Nuclear receptor
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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 = 6800 nM
   TI
   LI
   LO
   TS
CL000284 MDA-MB-453 Homo sapiens (Human)  2
1
IC50 = 580 nM
   TI
   LI
   LO
   TS
2
Ki = 100 nM
   TI
   LI
   LO
   TS