Compound name
GSK789
Protein family
Bromodomain
Target name
BRD2@BD1
Affinity biochemical (nM)
100
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
6046
UniProt ID
P25440
Synonyms
KIAA9001, RING3, D6S113E, NAT, FSRG1
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