Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1^{2,6}.0^{7,28}.0^{8,13}.0^{15,19}.0^{20,27}.0^{21,26}]nonacosa-8(13),9,11,14(28),15(19),20(27),21(26),22,24-nonaen-16-one
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 PubChem ID
CID: 44259
SID: 22395183
Canonical SMILES
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
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Compound Formula C28H26N4O3
Compound Structure
Protein Name
 Protein Info 
TRAF2 and NCK-interacting protein kinase
Protein Classification
Enzyme
>
Kinase
>
Protein Kinase
>
STE protein kinase group
>
STE protein kinase STE20 family
>
STE protein kinase MSN subfamily
Uniprot ID
Q9UKE5
Gene Name
TNIK
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000067 HCT 116
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 39 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.314 nM
2 IC50 = 0.551 nM
3 IC50 = 1.4 nM
4 Kd = 4.7 nM
5 Kd = 6 nM