Brief Information of the Compound and Protein
Compound Name
(E)-3-(3,5-Dimethyl-4-((2-((1-(pyridin-2-ylmethyl)piperidin-4-yl)-amino)thieno[3,2-d]pyrimidin-4-yl)oxy)phenyl)acrylonitrile
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PubChem ID
CID: 129909772
Canonical SMILES
Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccccn3)CC2)nc2ccsc12
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Compound Formula C28H28N6OS
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 = 5.33 nM
   TI
   LI
   LO
   TS
2
EC50 = 7.46 nM
   TI
   LI
   LO
   TS
3
EC50 = 9.23 nM
   TI
   LI
   LO
   TS
4
EC50 = 18.4 nM
   TI
   LI
   LO
   TS
5
EC50 = 26.7 nM
   TI
   LI
   LO
   TS
6
EC50 = 41.7 nM
   TI
   LI
   LO
   TS
7
EC50 = 122 nM
   TI
   LI
   LO
   TS