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I-BRD9 | Antagonist of BRD9
RATINGS:
Cellular Use: (3 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
BRD9
  • pIC50:BRD9 7.3
Antagonist
10-500 nM

Selectivity

In Vitro Selectivity Assessment

Potency: pIC50 - BRD4 5.3

Potency Assay Off-Target:
In TR-FRET assay, I-BRD9 is 100-fold selective for BRD9 > BRD4. In BROMOscan profiling (DiscoveRx), ...
Selectivity Assessment Description:
There was no activity detected with < 5 uM I-BRD9 against 49 receptors, transporters, ion chan ...
In Cell Selectivity Assessment
Selectivity Assessment Description:
>625-fold selective for BRD9 > BRD3 in HUT-78 cells.

Potency
Cellular
In Vitro

BRD9

Mode of Action: Antagonist

Structure-Activity-Relationship data available? No

Negative Control Compounds

Not available

Orthogonal Probes def

dBRD9

Chemical Information

Molecular Formula C22H22F3N3O3S2
SMILEs CCn1cc(-c2cccc(C(F)(F)F)c2)c2sc(C(=N)NC3CCS(=O)(=O)CC3)cc2c1=O
InChI InChI=1S/C22H22F3N3O3S2/c1-2-28-12-17(13-4-3-5-14(10-13)22(23,24)25)19-16(21(28)29)11-18(32-19)20(26)27-15-6-8-33(30,31)9-7-15/h3-5,10-12,15H,2,6-9H2,1H3,(H2,26,27)
Molecular weight 497.11 Da
AlogP 0.0
HBond acceptors 6
HBond donors 2
Atoms 55

References

Publications

    Cross References

    canSARChEMBLBindingDBGDSC2

    Vendors

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    Expert Reviews

    by SERP
    (on 10 Aug 2016 )
    Cellular Use Rating
    The I-BRD9 small molecule is a selective BRD9 inhibitor (binding activity by TR-FRET assay with pIC50 = 7.3, NanoBRET pIC50 = 6.8) identified through structure-based design. This compound is selective...
    by SERP
    (on 10 Aug 2016 )
    Cellular Use Rating
    I-BRD9 shows >50-500 fold selectivity vs. various targets such as BET and other relevant bromo-domains.
    by SERP
    (on 10 Sept 2016 )
    Cellular Use Rating
    I-BRD9 is a potent inhibitor of BRD9 (pIC50 = 7.3, IC50 = 50 nM) with >700-fold selectivity over the BET family, 200-fold selectivity over BRD7, 100-fold selectivity over BRD4 BD1 (pIC50 = 5.3, IC50...
    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