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
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 PubChem ID
CID: 9926791
SID: 16573063
Canonical SMILES
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
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Compound Formula C16H20N6O
Compound Structure
Protein Name
 Protein Info 
Tyrosine-protein kinase JAK2
Protein Classification
Enzyme
>
Kinase
>
Protein Kinase
>
TK protein kinase group
>
Tyrosine protein kinase JakB family
Uniprot ID
O60674
Gene Name
JAK2
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 = 1157 nM
   TI
   LI
   LO
   TS
2
IC50 = 265 nM
   TI
   LI
   LO
   TS
CL000131 HEK293-F
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 2.9 nM
   TI
   LI
   LO
   TS
CL000082 HEL
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 4724 nM
   TI
   LI
   LO
   TS
CL000752 PBMC iPSC #1
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 155 nM
   TI
   LI
   LO
   TS
CL000012 Sf21
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  3
1
IC50 = 1.2 nM
   TI
   LI
   LO
   TS
2
IC50 = 4 nM
   TI
   LI
   LO
   TS
3
IC50 = 4.1 nM
   TI
   LI
   LO
   TS
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 4 nM
   TI
   LI
   LO
   TS
CL000128 TF-1
 Cell Line Info 
Homo sapiens (Human)  4
1
EC50 = 93 nM
   TI
   LI
   LO
   TS
2
IC50 = 95 nM
   TI
   LI
   LO
   TS
3
IC50 = 120 nM
   TI
   LI
   LO
   TS
4
IC50 = 275.1 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 184 nM
2 IC50 = 0.5 nM
3 IC50 = 0.6 nM
4 IC50 = 1 nM
5 IC50 = 1.09 nM
6 IC50 = 1.4 nM
7 IC50 = 1.6 nM
8 IC50 = 2 nM
9 IC50 = 2.5 nM
10 IC50 = 2.7 nM
11 IC50 = 3.1 nM
12 IC50 = 4 nM
13 IC50 = 4.1 nM
14 IC50 = 4.98 nM
15 IC50 = 5 nM
16 IC50 = 7.4 nM
17 IC50 = 9.9 nM
18 IC50 = 10.7 nM
19 IC50 = 11 nM
20 IC50 = 20 nM
21 IC50 = 33 nM
22 IC50 = 38 nM
23 IC50 = 44 nM
24 IC50 = 77 nM
25 IC50 = 77.4 nM
26 IC50 = 184 nM
27 IC50 = 190 nM
28 IC50 = 302 nM
29 IC50 = 740 nM
30 Kd = 0.58 nM
31 Kd = 1.8 nM
32 Kd = 5 nM
33 Ki = 0.7 nM
34 Ki = 0.99 nM
35 Ki = 1 nM