Brief Information of the Compound and Protein
Compound Name
(E)-3-(4-((2-((1-(2-Fluorobenzyl)piperidin-4-yl)amino)thieno[3,2-d]pyrimidin-4-yl)oxy)-3,5-dimethylphenyl)acrylonitrile
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PubChem ID
CID: 129909001
Canonical SMILES
Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccccc3F)CC2)nc2ccsc12
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Compound Formula C29H28FN5OS
Compound Structure
Protein Name
Reverse transcriptase/RNaseH
Protein Classification
Enzyme
>
Hydrolase
Uniprot ID
Q72547
Gene Name
POL
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000247 MT-4 Homo sapiens (Human)  7
1
EC50 = 6.88 nM
   TI
   LI
   LO
   TS
2
EC50 = 29.8 nM
   TI
   LI
   LO
   TS
3
EC50 = 30.4 nM
   TI
   LI
   LO
   TS
4
EC50 = 33.5 nM
   TI
   LI
   LO
   TS
5
EC50 = 40.6 nM
   TI
   LI
   LO
   TS
6
EC50 = 139 nM
   TI
   LI
   LO
   TS
7
EC50 = 177 nM
   TI
   LI
   LO
   TS