Brief Information of the Compound and Protein
Compound Name
(E)-3-(3,5-Dimethyl-4-((2-((1-(4-methylbenzyl)piperidin-4-yl)-amino)thieno[3,2-d]pyrimidin-4-yl)oxy)phenyl)acrylonitrile
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PubChem ID
CID: 129908771
Canonical SMILES
Cc1ccc(CN2CCC(Nc3nc(Oc4c(C)cc(/C=C/C#N)cc4C)c4sccc4n3)CC2)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 = 11.2 nM
   TI
   LI
   LO
   TS
2
EC50 = 29.7 nM
   TI
   LI
   LO
   TS
3
EC50 = 31.9 nM
   TI
   LI
   LO
   TS
4
EC50 = 32.3 nM
   TI
   LI
   LO
   TS
5
EC50 = 129 nM
   TI
   LI
   LO
   TS
6
EC50 = 138 nM
   TI
   LI
   LO
   TS
7
EC50 = 146 nM
   TI
   LI
   LO
   TS