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LLY-507 | Inhibitor of SMYD2
RATINGS:
Cellular Use: (3 reviews)

In Model Organisms: (0 reviews)
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary

Targets Biochemical/Biophysical Potency Cellular Potency
SMYD2
  • IC50:15 nM
  • IC50:0.6 uM
Inhibitor
--

Selectivity

In Vitro Selectivity Assessment
Potency Assay Off-Target:
No significant activity was detected against 25 protein methyltransferases or DNMT in SPA, with LLY- ...
Selectivity Assessment Description:
Profiled against 454 kinases in the DiscoveRx Kinome scan assay, as well as 36 GPCRs, 14 nuclear ...

Potency
Cellular
In Vitro

SMYD2

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? No

Negative Control Compounds

SGC705

Orthogonal Probes def

BAY-598

Chemical Information

Molecular Formula C36H42N6O
SMILEs Cc1cn(CCN2CCN(c3ccccc3-c3cc(C#N)cc(C(=O)NCCCN4CCCC4)c3)CC2)c2ccccc12
InChI InChI=1S/C36H42N6O/c1-28-27-42(34-11-4-2-9-32(28)34)22-19-40-17-20-41(21-18-40)35-12-5-3-10-33(35)30-23-29(26-37)24-31(25-30)36(43)38-13-8-16-39-14-6-7-15-39/h2-5,9-12,23-25,27H,6-8,13-22H2,1H3,(H,38,43)
Molecular weight 574.34 Da
AlogP 5.5263
HBond acceptors 7
HBond donors 1
Atoms 85

References

Publications

    Cross References

    canSARChEMBLBindingDBPDBe (Protein Data Bank Europe)

    Vendors

    Note: This is not an exhaustive list and does not indicate endorsement by the portal.

    Expert Reviews

    by SERP
    (on 24 Jun 2016 )
    Cellular Use Rating
    LLY-507 potently and selectively inhibits the protein methyltransferase SMYD2 (IC50 <15 nM in an enzyme assay) compared with other pharmacologically important proteins including other HMTs, protein...
    by SERP
    (on 9 Sept 2016 )
    Cellular Use Rating
    LLY-507 was disclosed as a potent and selective small molecule inhibitor of SMYD2 with cellular target engagement by inhibition of SYMD2 mediated monomethylation of p53 K370. LLY-507 inhibits the proliferation...
    LLY-507 is first-in-class inhibitor of SMYD2, where the biology and mechanism of action are poorly understood. It is quite potent (IC50 = 15 nM) in the the scintillation proximity assay; however, in...
    by SERP
    (on 17 Oct 2016 )
    Cellular Use Rating
    LLY-507 shows good potency and specificity for SMYD2 compared with other protein methyltransferases as well as GPCRs and protein kinases in assays.
    Note: The Chemical Probes Portal only endorses compounds as chemical probes for use as specific and selective modulators of the proposed target if they receive three or more (3-4) stars. Read more about our evaluation criteria