Compound name
GSK778
Protein family
Bromodomain
Target name
BRD2@BD1
Affinity biochemical (nM)
79
CG-Set
Epigenetic set
Recommended Concentration
1 µM
Compound EUbOPEN ID
EUB0001115a
SMILES
Cc1c(c2cc3c(cc2OC[C@H]2CCNC2)c2c(cn3)nc(COC)n2[C@H](C)c2ccccc2)c(C)on1
InChIKey
ZORLJXWXFABTPZ-CTNGQTDRSA-N
NCBI gene ID
6046
UniProt ID
P25440
Synonyms
KIAA9001, RING3, D6S113E, NAT, FSRG1
Mode of action
Inhibitor
Negative control
No control available for probe
Affinity biochemical definition
IC50
Affinity biochemical assay type
BET mutant TR-FRET assay (BD1)
Affinity Biochemical Source Knowledge
https://pubs.acs.org/doi/10.1021/acs.jmedchem.0c00566
Affinity biochemical relation
0
Selectivity platform
BROMOScan (DiscoverX)
Selectivity platform number of targets
40
Selectivity remarks
In-vitro potencies of closest targets in BROMOScan (DiscoverX): Kd(BRD2, BD1) = 13 nM, Kd(BRD3, BD1) = 5 nM, Kd(BRD4, BD1) = 5.9 nM, Kd(BRDT, BD1) = 18 nM; Selectivity screen against 50 targets (GPCRs, ion-channels, other targets), in-vitro potencies of closest targets: pIC50(CHRNA1) = 6, pIC50(CYP3A4) = 6; Screened at 10 µM against 45 GPCRs (PDSP screen), in-vitro potencies of closest targets: Ki(DRD3) = 485.92 nM, Ki(DRD4) = 856.99 nM, Ki(GABAA) = 1595.89 nM, Ki(GABAA/BZP) = 1970.29 nM
Selectivity Source Knowledge
https://pubs.acs.org/doi/10.1021/acs.jmedchem.0c00566
Selectivity Number of Off-targets
0