Brief Information of the Compound and Protein
Compound Name
(2R,6R)-8-Methyl-4-(4-nitro-naphthalen-1-yl)-4,8-diaza-tricyclo[5.2.2.0*2,6*]undec-10-ene-3,5,9-trione
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PubChem ID
CID: 44392178
Canonical SMILES
CN1C(=O)C2C=CC1[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])c4ccccc34)C(=O)[C@H]21
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Compound Formula C20H15N3O5
Compound Structure
Protein Name
Androgen receptor
Protein Classification
Transcription factor
>
Nuclear receptor
>
Nuclear hormone receptor subfamily 3
>
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 = 631 nM
   TI
   LI
   LO
   TS
2
Ki = 115 nM
   TI
   LI
   LO
   TS
CL000284 MDA-MB-453 Homo sapiens (Human)  2
1
IC50 = 4030 nM
   TI
   LI
   LO
   TS
2
Ki > 5000 nM
   TI
   LI
   LO
   TS
CL000807 MDA-PCa-2b Homo sapiens (Human)  1
1
IC50 = 8460 nM
   TI
   LI
   LO
   TS