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 JAK1
Protein Classification
Enzyme
>
Kinase
>
Protein Kinase
>
TK protein kinase group
>
Tyrosine protein kinase JakB family
Uniprot ID
P23458
Gene Name
JAK1
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 = 95.3 nM
   TI
   LI
   LO
   TS
2
IC50 = 26 nM
   TI
   LI
   LO
   TS
CL000743 CellSensor STAT6-bla RA-1
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 87 nM
   TI
   LI
   LO
   TS
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  2
1
IC50 = 3 nM
   TI
   LI
   LO
   TS
2
IC50 = 110 nM
   TI
   LI
   LO
   TS
CL000128 TF-1
 Cell Line Info 
Homo sapiens (Human)  2
1
EC50 = 43 nM
   TI
   LI
   LO
   TS
2
EC50 = 53 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.5 nM
2 IC50 = 0.8 nM
3 IC50 = 1.3 nM
4 IC50 = 1.4 nM
5 IC50 = 1.42 nM
6 IC50 = 1.55 nM
7 IC50 = 1.6 nM
8 IC50 = 1.7 nM
9 IC50 = 2 nM
10 IC50 = 3 nM
11 IC50 = 3.1 nM
12 IC50 = 3.2 nM
13 IC50 = 3.3 nM
14 IC50 = 3.7 nM
15 IC50 = 3.8 nM
16 IC50 = 4.1 nM
17 IC50 = 15 nM
18 IC50 = 15.1 nM
19 IC50 = 33 nM
20 IC50 = 74 nM
21 IC50 = 112 nM
22 Kd = 1.6 nM
23 Kd = 1.7 nM
24 Kd > 10000 nM
25 Ki = 0.68 nM
26 Ki = 0.7 nM