Brief Information of the Compound and Protein
Compound Name
(E)-3-(3,5-Dimethyl-4-((2-((1-(2-methylbenzyl)piperidin-4-yl)-amino)thieno[3,2-d]pyrimidin-4-yl)oxy)phenyl)acrylonitrile
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PubChem ID
CID: 129908854
Canonical SMILES
Cc1ccccc1CN1CCC(Nc2nc(Oc3c(C)cc(/C=C/C#N)cc3C)c3sccc3n2)CC1
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Compound Formula C30H31N5OS
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 = 24.8 nM
   TI
   LI
   LO
   TS
2
EC50 = 47.2 nM
   TI
   LI
   LO
   TS
3
EC50 = 61.4 nM
   TI
   LI
   LO
   TS
4
EC50 = 85.7 nM
   TI
   LI
   LO
   TS
5
EC50 = 128 nM
   TI
   LI
   LO
   TS
6
EC50 = 174 nM
   TI
   LI
   LO
   TS
7
EC50 = 829 nM
   TI
   LI
   LO
   TS