Brief Information of the Compound and Protein
Compound Name
(isothiocyanatomethyl)benzene
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PubChem ID
CID: 2346
SID: 15388534
Canonical SMILES
S=C=NCc1ccccc1
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Compound Formula C8H7NS
Compound Structure
Protein Name
Transient receptor potential cation channel subfamily A member 1
Protein Classification
Ion channel
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Voltage-gated ion channel
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Transient receptor potential channel
Uniprot ID
O75762
Gene Name
TRPA1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000058 T-REx-293 Homo sapiens (Human)  5
1
EC50 = 250 nM
   TI
   LI
   LO
   TS
2
EC50 = 10964.78 nM
   TI
   LI
   LO
   TS
3
EC50 = 15488.17 nM
   TI
   LI
   LO
   TS
4
EC50 = 23988.33 nM
   TI
   LI
   LO
   TS
5
EC50 = 27542.29 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 319 nM