Brief Information of the Compound and Protein
Compound Name
(1R,8S,10S)-3-bromo-11,11-dimethyl-10-(2-methylprop-2-enyl)-9-pentyl-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene
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PubChem ID
CID: 118718026
Canonical SMILES
CCCCCN1[C@@H](CC(C)=C)[C@H]2c3c(Br)cccc3[C@@H]1CC2(C)C
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Compound Formula C22H32BrN
Compound Structure
Protein Name
Cytochrome b-245 heavy chain
Protein Classification
Transporter
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Transmembrane 1-electron transfer carriers
Uniprot ID
P04839
Gene Name
CYBB
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000880 COS Chlorocebus aethiops (Green monkey)  1
1
IC50 = 20000 nM
   TI
   LI
   LO
   TS
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  2
1
IC50 = 32.4 nM
   TI
   LI
   LO
   TS
2
IC50 = 20000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 30 nM