Brief Information of the Compound and Protein
Compound Name
 Compound Info 
3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile
    Show/Hide
 PubChem ID
CID: 9926791
SID: 16573063
Canonical SMILES
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
    Show/Hide
Compound Formula C16H20N6O
Compound Structure
Protein Name
 Protein Info 
Tyrosine-protein kinase JAK3
Protein Classification
Enzyme
>
Kinase
>
Protein Kinase
>
TK protein kinase group
>
Tyrosine protein kinase JakB family
Uniprot ID
P52333
Gene Name
JAK3
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3
 Cell Line Info 
Mus musculus (Mouse)  2
1
GI50 = 503 nM
   TI
   LI
   LO
   TS
2
IC50 = 54 nM
   TI
   LI
   LO
   TS
CL000129 HT-2
 Cell Line Info 
Mus musculus (Mouse)  1
1
IC50 = 156 nM
   TI
   LI
   LO
   TS
CL001000 NMIi005-A
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 1210 nM
   TI
   LI
   LO
   TS
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  2
1
IC50 = 0.6 nM
   TI
   LI
   LO
   TS
2
IC50 = 1.1 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 < 5 nM
2 IC50 = 0.24 nM
3 IC50 = 0.29 nM
4 IC50 = 0.35 nM
5 IC50 = 0.7 nM
6 IC50 = 0.8 nM
7 IC50 = 0.98 nM
8 IC50 = 1 nM
9 IC50 = 1.1 nM
10 IC50 = 1.4 nM
11 IC50 = 1.5 nM
12 IC50 = 1.6 nM
13 IC50 = 2 nM
14 IC50 = 2.2 nM
15 IC50 = 3.2 nM
16 IC50 = 5 nM
17 IC50 = 8.5 nM
18 IC50 = 10.9 nM
19 IC50 = 13 nM
20 IC50 = 55 nM
21 IC50 = 76 nM
22 IC50 = 93.5 nM
23 IC50 >= 8000 nM
24 Kd = 0.16 nM
25 Kd = 0.7 nM
26 Kd = 2.2 nM
27 Ki = 0.2 nM
28 Ki = 0.24 nM
29 Ki = 0.4 nM
30 Ki = 1 nM