Compound name
NI-57
Protein family
Bromodomain
Target name
BRPF1@BRD
Affinity biochemical (nM)
114
Affinity on-target cellular (nM)
70
CG-Set
Epigenetic set
Recommended Concentration
1 µM
Compound EUbOPEN ID
EUB0000205c
SMILES
COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc2c(c1)cc(C)c(=O)n2C
InChIKey
UEMQPCYDWCSVCU-UHFFFAOYSA-N
NCBI gene ID
7862
UniProt ID
P55201
Synonyms
BR140
Mode of action
Inhibitor
Negative control
NI-198
Affinity biochemical definition
IC50
Affinity biochemical assay type
AlphaScreen
Affinity Biochemical Source Knowledge
www.thesgc.org/chemical-probes/NI-57
Affinity biochemical relation
=
Affinity on-target cellular definition
IC50
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Affinity on-target cellular relation
=
Selectivity platform
Bromodomain panel, literature
Selectivity platform number of targets
47
Selectivity remarks
No targets confirmed outside BRD family; Screened in BROMOscan panel against 46 targets, closest target: IC50(TRIM24) = 1600 nM, 500-fold selective; Clean profile in CEREP screen against 55 ligand receptors, ion channels and transporters, at 10 µM
Selectivity Source Knowledge
https://doi.org/10.1021/acs.jmedchem.7b00611
www.thesgc.org/chemical-probes/NI-57
Selectivity Number of Off-targets
1