Brief Information of the Compound and Protein
Compound Name
 Compound Info 
US10717746, Example 44
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 PubChem ID
CID: 124155215
Canonical SMILES
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(ccn1)-c1cnn2CCC(C)(C)Cc12
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Compound Formula C23H31N5O2
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 = 48 nM
   TI
   LI
   LO
   TS
CL000091 MV4-11
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 39 nM
   TI
   LI
   LO
   TS