Brief Information of the Compound and Protein
Compound Name
4-((S)-3-((S)-1-(6-(Benzylcarbamoyl)-4'-carbamoylbiphenyl-3-ylamino)-4-methyl-1-oxopentan-2-ylamino)-2-(4-cyanobenzamido)-3-oxopropyl)phenyl dihydrogen phosphate
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PubChem ID
CID: 51351545
SID: 121269652
Canonical SMILES
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1ccc(cc1)C#N)C(=O)Nc1ccc(C(=O)NCc2ccccc2)c(c1)-c1ccc(cc1)C(N)=O
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Compound Formula C44H43N6O9P
Compound Structure
Protein Name
Signal transducer and activator of transcription 3
Protein Classification
Transcription factor
Uniprot ID
P42227
Gene Name
STAT3
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
IC50 = 73100 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Kd = 900 nM