Brief Information of the Compound and Protein
Compound Name
 Compound Info 
4,4 -(1H-1,2,4-triazol-1-ylmethanediyl)dibenzonitrile
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 PubChem ID
CID: 3902
SID: 14799856
Canonical SMILES
N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)n1cncn1
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Compound Formula C17H11N5
Compound Structure
Protein Name
 Protein Info 
Aromatase
Protein Classification
Enzyme
>
Cytochrome P450
>
Cytochrome P450 family 19
>
Cytochrome P450 family 19A
>
Cytochrome P450 19A1
Uniprot ID
P11511
Gene Name
CYP19A1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000208 JEG-3
 Cell Line Info 
Homo sapiens (Human)  2
1
IC50 = 0.7 nM
   TI
   LI
   LO
   TS
2
IC50 = 0.89 nM
   TI
   LI
   LO
   TS
CL000078 T-47D
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 29500 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1 nM
2 IC50 = 1.9 nM
3 IC50 = 2 nM
4 IC50 = 3.3 nM
5 IC50 = 3.4 nM
6 IC50 = 4 nM
7 IC50 = 4.2 nM
8 IC50 = 5.3 nM
9 IC50 = 6.1 nM
10 IC50 = 8 nM
11 IC50 = 9.95 nM
12 IC50 = 10 nM
13 IC50 = 26 nM
14 IC50 = 36 nM
15 IC50 = 49.5 nM
16 Ki = 0.02 nM
17 Ki = 2.2 nM