Brief Information of the Compound and Protein
Compound Name
3,5-Dimethyl-4-((2-((1-(4-(methylsulfonyl)benzyl)piperidin-4-yl)-amino)thieno[2,3-d]pyrimidin-4-yl)oxy)benzonitrile
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PubChem ID
CID: 129908821
Canonical SMILES
Cc1cc(C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)nc2sccc12
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Compound Formula C28H29N5O3S2
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 = 1.64 nM
   TI
   LI
   LO
   TS
2
EC50 = 5.96 nM
   TI
   LI
   LO
   TS
3
EC50 = 7.26 nM
   TI
   LI
   LO
   TS
4
EC50 = 7.85 nM
   TI
   LI
   LO
   TS
5
EC50 = 8.68 nM
   TI
   LI
   LO
   TS
6
EC50 = 9.6 nM
   TI
   LI
   LO
   TS
7
EC50 = 42.3 nM
   TI
   LI
   LO
   TS