Reaction Details Report a problem with these data
Target
Signal transducer and activator of transcription 3
Ligand
BDBM549099
Substrate
n/a
Meas. Tech.
ChEMBL_2057493 (CHEMBL4712494)
IC50
1090±n/a nM
Citation
 Brotherton-Pleiss, C; Yue, P; Zhu, Y; Nakamura, K; Chen, W; Fu, W; Kubota, C; Chen, J; Alonso-Valenteen, F; Mikhael, S; Medina-Kauwe, L; Tius, MA; Lopez-Tapia, F; Turkson, J Discovery of Novel Azetidine Amides as Potent Small-Molecule STAT3 Inhibitors. J Med Chem 64:695-710 (2021) [PubMed]  Article 
Target
Name:
Signal transducer and activator of transcription 3
Synonyms:
Acute-phase response factor | Aprf | STAT3 alpha | STAT3_MOUSE | Signal transducer and activator of transcription 3 | Stat3 | Transcription Factor STAT3
Type:
Cytosolic Transcription Factor
Mol. Mass.:
88050.28
Organism:
Mus musculus (mouse)
Description:
Bacterially expressed protein was used in the FP assay.
Residue:
770
Sequence:
MAQWNQLQQLDTRYLEQLHQLYSDSFPMELRQFLAPWIESQDWAYAASKESHATLVFHNLLGEIDQQYSRFLQESNVLYQHNLRRIKQFLQSRYLEKPMEIARIVARCLWEESRLLQTAATAAQQGGQANHPTAAVVTEKQQMLEQHLQDVRKRVQDLEQKMKVVENLQDDFDFNYKTLKSQGDMQDLNGNNQSVTRQKMQQLEQMLTALDQMRRSIVSELAGLLSAMEYVQKTLTDEELADWKRRQQIACIGGPPNICLDRLENWITSLAESQLQTRQQIKKLEELQQKVSYKGDPIVQHRPMLEERIVELFRNLMKSAFVVERQPCMPMHPDRPLVIKTGVQFTTKVRLLVKFPELNYQLKIKVCIDKDSGDVAALRGSRKFNILGTNTKVMNMEESNNGSLSAEFKHLTLREQRCGNGGRANCDASLIVTEELHLITFETEVYHQGLKIDLETHSLPVVVISNICQMPNAWASILWYNMLTNNPKNVNFFTKPPIGTWDQVAEVLSWQFSSTTKRGLSIEQLTTLAEKLLGPGVNYSGCQITWAKFCKENMAGKGFSFWVWLDNIIDLVKKYILALWNEGYIMGFISKERERAILSTKPPGTFLLRFSESSKEGGVTFTWVEKDISGKTQIQSVEPYTKQQLNNMSFAEIIMGYKIMDATNILVSPLVYLYPDIPKEEAFGKYCRPESQEHPEADPGSAAPYLKTKFICVTPTTCSNTIDLPMSPRTLDSLMQFGNNGEGAEPSAGGQFESLTFDMDLTSECATSPM
  
Inhibitor
Name:
BDBM549099
Synonyms:
BDBM50556892 | US11299480, Example 123
Type:
Small organic molecule
Emp. Form.:
C29H26F5N3O5S
Mol. Mass.:
623.591
SMILES:
OC(=O)c1ccc(cc1)N(Cc1ccc(cn1)C1CCCCC1)C(=O)[C@H]1CCN1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F |r|
Structure:
Search PDB for entries with ligand similarity: