Brief Information of the Compound and Protein
Compound Name
BHAP deriv.
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PubChem ID
CID: 5625
SID: 14857955
Canonical SMILES
CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
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Compound Formula C22H28N6O3S
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)  2
1
EC50 = 76 nM
   TI
   LI
   LO
   TS
2
EC50 > 23000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 8 nM
2 IC50 = 9 nM
3 IC50 = 21 nM
4 IC50 = 36 nM
5 IC50 = 56 nM
6 IC50 = 170 nM
7 IC50 = 260 nM
8 IC50 = 394.244037 nM
9 IC50 = 422 nM
10 IC50 = 657.073395 nM
11 IC50 = 1100 nM
12 IC50 = 1200 nM
13 IC50 = 1500 nM
14 IC50 = 4292.879515 nM
15 IC50 = 6660 nM
16 IC50 = 8300 nM
17 IC50 = 8320 nM
18 IC50 = 18000 nM