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EML631 | Inhibitor of SPIN1
RATINGS:
Cellular Use: (1 reviews)

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

Targets Biochemical/Biophysical Potency Cellular Potency
SPIN1
  • Kd:3000 nM
Inhibitor
up to 10 uM

Selectivity

In Vitro Selectivity Assessment

Potency: KD - PHF20 168 uM, 53BP1 81 uM, L3MBTL3 105 uM

Potency Assay Off-Target:
ITC

Potency
Cellular
In Vitro

SPIN1

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? No

DOI Reference: 10.1038/nchembio.2377

Orthogonal Probes def

VinSpinIn

Chemical Information

Molecular Formula C41H60N6O3
SMILEs O=C(c1ccc(C(=O)N2CCC(CCN3CCCC3)CC2)c(Nc2ccc(OCN3CCCC3)cc2)c1)N1CCC(CCN2CCCC2)CC1
InChI InChI=1S/C41H60N6O3/c48-40(46-27-15-33(16-28-46)13-25-43-19-1-2-20-43)35-7-12-38(41(49)47-29-17-34(18-30-47)14-26-44-21-3-4-22-44)39(31-35)42-36-8-10-37(11-9-36)50-32-45-23-5-6-24-45/h7-12,31,33-34,42H,1-6,13-30,32H2
Molecular weight 684.47 Da
AlogP 6.538500000000008
HBond acceptors 9
HBond donors 1
Atoms 110

References

Publications

Cross References

canSARChEMBLBindingDBPDBPubMed

Expert Reviews

by SERP
(on 7 Dec 2021 )
Cellular Use Rating
Suppl Fig 8b of the cited publication (Bae et al Nat. Chem. Biol. doi:10.1038/nchembio.2377) indicates that enhanced inhibition of SPIN1-regulated gene expression is observed at EML631 concentrations higher...
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