Brief Information of the Compound and Protein
Compound Name
 Compound Info 
4-[4-(5-fluoro-2-methoxy-phenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methylsulfonyl-cyclohex-3-ene-1-carboxamide
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 PubChem ID
CID: 90420341
Canonical SMILES
COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCC(C(=O)NS(C)(=O)=O)CC3)cc12
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Compound Formula C22H22FN3O4S
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
CL000052 A-431
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 660 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 89 nM