Brief Information of the Compound and Protein
Compound Name
US10717746, Example 27
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Canonical SMILES
CC1(C)Cc2c(cnn2C1)-c1cc(NC(=O)[C@@H]2C[C@H](O)C2)ncc1Cl
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Compound Formula C18H21ClN4O2
Compound Structure
Protein Name
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 Homo sapiens (Human)  1
1
IC50 = 44 nM
   TI
   LI
   LO
   TS
CL000091 MV4-11 Homo sapiens (Human)  1
1
EC50 = 38 nM
   TI
   LI
   LO
   TS