Compound name
I-BRD9 (GSK602)
Protein family
Bromodomain
Target name
BRD9@BRD
Affinity biochemical (nM)
50.1
Affinity on-target cellular (nM)
79.4
CG-Set
Epigenetic set
Recommended Concentration
1 µM
Compound EUbOPEN ID
EUB0000247b
SMILES
CCn1cc(-c2cccc(C(F)(F)F)c2)c2sc(C(N)=NC3CCS(=O)(=O)CC3)cc2c1=O
InChIKey
WRUWGLUCNBMGPS-UHFFFAOYSA-N
NCBI gene ID
65980
UniProt ID
Q9H8M2
Synonyms
FLJ13441
Mode of action
Inhibitor
Affinity biochemical definition
IC50
Affinity biochemical assay type
Time-Resolved FRET assay
Affinity Biochemical Source Knowledge
https://doi.org/10.1021/acs.jmedchem.5b00256
https://www.thesgc.org/chemical-probes/I-BRD9
Affinity biochemical relation
=
Affinity on-target cellular definition
IC50
Affinity on-target cellular assay type
Western Blot (chemoproteomic competition binding assay in HUT-78 cell lysate)
Affinity on-target cellular relation
=
Selectivity platform
BROMOscan™ (DiscoverX)
Selectivity platform number of targets
34
Selectivity remarks
>70-fold selective over other bromodomains tested, closest targets: Kd(CECR2) = 140 nM, Kd(BRD7) = 390 nM, Kd(CREBBP) = 740 nM, Kd(EP300) = 770 nM, others >1.5 µM; Inactive against a panel of 49 human receptors, ion channels, kinases and other enzymes
Selectivity Source Knowledge
https://doi.org/10.1021/acs.jmedchem.5b00256
https://www.thesgc.org/chemical-probes/I-BRD9
Selectivity Number of Off-targets
0