Compound name
GSK789
Protein family
Bromodomain
Target name
BRD4@BD1
Affinity biochemical (nM)
32
CG-Set
Epigenetic set
Recommended Concentration
1 µM
Compound EUbOPEN ID
EUB0001116a
SMILES
CC1=Cc2c(cnc(c2NC1=O)N[C@@H]1CCN(C)C[C@H]1C(NC1CCCCC1)=O)c1ccco1
InChIKey
NDEORODKVUYMFQ-NHCUHLMSSA-N
NCBI gene ID
23476
UniProt ID
O60885
Synonyms
HUNKI, MCAP, CAP, HUNK1
Mode of action
Inhibitor
Negative control
GSK791
Affinity biochemical definition
IC50
Affinity biochemical assay type
BET mutant TR-FRET assay (BD1)
Affinity Biochemical Source Knowledge
https://pubmed.ncbi.nlm.nih.gov/32691589/
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): pKd(TAF1, BD2) = 7.3, pKd(TAF1L, BD2) = 6.4, selective for the BD1 domain of BET proteins; Follow-up of closest targets (FRET assay): pIC50(TAF1, BD1) = 5.0 ± 0.1, n = 3 (BRD4, BD1 selectivity = 500-fold); Screened at 10 µM against 45 GPCRs (PDSP screen), in-vitro potency of closest target: Ki(DRD4) = 1013.12 nM
Selectivity Source Knowledge
https://pubs.acs.org/doi/10.1021/acs.jmedchem.0c00614
Selectivity Number of Off-targets
0