Brief Information of the Compound and Protein
Compound Name
 Compound Info 
US10717746, Example 13
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 PubChem ID
CID: 124155216
Canonical SMILES
CN1CCn2ncc(c2C1)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)ncc1Cl
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Compound Formula C21H27ClN6O2
Compound Structure
Protein Name
 Protein Info 
Cyclin-dependent kinase 9
Protein Classification
Enzyme
>
Kinase
>
Protein Kinase
>
CMGC protein kinase group
>
CMGC protein kinase CDK family
>
CMGC protein kinase CDK9 subfamily
Uniprot ID
P50750
Gene Name
CDK9
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000083 MCF-7
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 800 nM
   TI
   LI
   LO
   TS
CL000091 MV4-11
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 910 nM
   TI
   LI
   LO
   TS