Reaction Details Report a problem with these data
Target
Signal transducer and activator of transcription 3
Ligand
BDBM50335439
Substrate
n/a
Meas. Tech.
ChEMBL_701933 (CHEMBL1657357)
Kd
1200±n/a nM
Citation
 Shahani, VM; Yue, P; Haftchenary, S; Zhao, W; Lukkarila, JL; Zhang, X; Ball, D; Nona, C; Gunning, PT; Turkson, J Identification of Purine-Scaffold Small-Molecule Inhibitors of Stat3 Activation by QSAR Studies. ACS Med Chem Lett 2:79-84 (2011) [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:
BDBM50335439
Synonyms:
2-(2-((tert-butoxycarbonyl)(4-cyclohexylbenzyl)amino)-6-(isopentylamino)-9H-purin-9-yl)acetic acid | CHEMBL1651679
Type:
Small organic molecule
Emp. Form.:
C25H34N6O2
Mol. Mass.:
450.5765
SMILES:
CC(C)CCNc1nc(NCc2ccc(cc2)C2CCCCC2)nc2n(CC(O)=O)cnc12
Structure:
Search PDB for entries with ligand similarity: