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(R,R)-59 | Inhibitor of SETDB1
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
SETDB1
  • Kd:88 ± 45 nM
  • Kd:106 ± 2 nM
  • ΔTm:2 °C
Inhibitor
Care should be taken at the recommended concentation KD for Tudor domain of 53BP1 is in the recommended concentration range
5-10 uM

Selectivity

In Vitro Selectivity Assessment
Potency Assay Off-Target:
16 other Tudor domain proteins
Selectivity Assessment Description:
ITC used to determine the selectivity of (R,R)-59 against other Tudor domaining containing proteins; ...

Potency
Cellular
In Vitro

SETDB1

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1002/anie.202017200

Negative Control Compounds

(S,S)-59
SMILES: CN1C[C@@H](C[C@@H](C1)NC1=Nc2cc[nH]c2C(N1CC=C)=O)c1ccc(cc1)OCc1ccccc1

Chemical Information

Molecular Formula C28H31N5O2
SMILEs C=CCn1c(N[C@@H]2C[C@H](c3ccc(OCc4ccccc4)cc3)CN(C)C2)nc2cc[nH]c2c1=O
InChI InChI=1S/C28H31N5O2/c1-3-15-33-27(34)26-25(13-14-29-26)31-28(33)30-23-16-22(17-32(2)18-23)21-9-11-24(12-10-21)35-19-20-7-5-4-6-8-20/h3-14,22-23,29H,1,15-19H2,2H3,(H,30,31)/t22-,23+/m0/s1
Molecular weight 469.25 Da
AlogP 0.0
HBond acceptors 7
HBond donors 2
Atoms 66

Vendors

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Expert Reviews

by SERP
(on 3 Jan 2022 )
Cellular Use Rating
( The reviewer did not leave any comments )
by SERP
(on 19 Jan 2022 )
Cellular Use Rating
Care should be taken at the recommended concentration as the KD for the Tudor domain of 53BP1 is in the recommended concentration range.
by SERP
(on 31 Jan 2022 )
Cellular Use Rating
To target the TTD domain of SETDB1, this compound is the best available. Meanwhile, the caution should be hold about the effective concentration for target engagement, which was studied with the TTD domain...
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