Reaction Details Report a problem with these data
Target
Signal transducer and activator of transcription 3
Ligand
BDBM549076
Substrate
n/a
Meas. Tech.
ChEMBL_2057500 (CHEMBL4712501)
IC50
340±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:
APRF | STAT3 | STAT3_HUMAN | Signal transducer and activator of transcription 3 | Signal transducer and activator of transcription 3 (STAT3)
Type:
Protein
Mol. Mass.:
88064.31
Organism:
Homo sapiens (Human)
Description:
P40763
Residue:
770
Sequence:
MAQWNQLQQLDTRYLEQLHQLYSDSFPMELRQFLAPWIESQDWAYAASKESHATLVFHNLLGEIDQQYSRFLQESNVLYQHNLRRIKQFLQSRYLEKPMEIARIVARCLWEESRLLQTAATAAQQGGQANHPTAAVVTEKQQMLEQHLQDVRKRVQDLEQKMKVVENLQDDFDFNYKTLKSQGDMQDLNGNNQSVTRQKMQQLEQMLTALDQMRRSIVSELAGLLSAMEYVQKTLTDEELADWKRRQQIACIGGPPNICLDRLENWITSLAESQLQTRQQIKKLEELQQKVSYKGDPIVQHRPMLEERIVELFRNLMKSAFVVERQPCMPMHPDRPLVIKTGVQFTTKVRLLVKFPELNYQLKIKVCIDKDSGDVAALRGSRKFNILGTNTKVMNMEESNNGSLSAEFKHLTLREQRCGNGGRANCDASLIVTEELHLITFETEVYHQGLKIDLETHSLPVVVISNICQMPNAWASILWYNMLTNNPKNVNFFTKPPIGTWDQVAEVLSWQFSSTTKRGLSIEQLTTLAEKLLGPGVNYSGCQITWAKFCKENMAGKGFSFWVWLDNIIDLVKKYILALWNEGYIMGFISKERERAILSTKPPGTFLLRFSESSKEGGVTFTWVEKDISGKTQIQSVEPYTKQQLNNMSFAEIIMGYKIMDATNILVSPLVYLYPDIPKEEAFGKYCRPESQEHPEADPGSAAPYLKTKFICVTPTTCSNTIDLPMSPRTLDSLMQFGNNGEGAEPSAGGQFESLTFDMELTSECATSPM
  
Inhibitor
Name:
BDBM549076
Synonyms:
BDBM50556917 | US11299480, Example 113
Type:
Small organic molecule
Emp. Form.:
C29H27F5N4O6S
Mol. Mass.:
654.605
SMILES:
ONC(=O)c1ccc(cc1O)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: