Compound name
BI-2536
Protein family
Bromodomain
Target name
BRD4
Affinity biochemical (nM)
37
Affinity on-target cellular (nM)
300
CG-Set
Kinase set
Recommended Concentration
1 µM
Compound EUbOPEN ID
EUB0000169b
SMILES
CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1
InChIKey
XQVVPGYIWAGRNI-JOCHJYFZSA-N
NCBI gene ID
23476
UniProt ID
O60885
Synonyms
HUNKI, MCAP, CAP, HUNK1
Mode of action
Inhibitor
Affinity biochemical definition
Kd
Affinity biochemical assay type
ITC
Affinity Biochemical Source Knowledge
https://doi.org/ 10.1021/acs.jmedchem.8b01947
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
KinomeScan (DiscoverX)
Selectivity platform number of targets
468
Selectivity remarks
Screened at 1 µM, closest targets as % of contrl.: ALK(C1156Y) (0.3%), CAMKK1/2 (3.7/ 3.4%), PIP5K2C (4.2%), PLK2/3 (1.2/ 0.5%), RPS6KA4(KD2-C) (0.3%), follow-up IC50s of closest targets: IC50(PLK2) = 3.5 nM, IC50(PLK3) = 9 nM; Screened in Dundee panel against 30 kinases at 10 µM, clean profile; Screened in SafetyScreen44™ (Eurofins) against 64 targets (GPCRS, ion channels, transporters) at 10 µM, closest target as % of contr. ALPHA1A/R (13%);
Selectivity Source Knowledge
https://doi.org/10.1016/j.cub.2006.12.046
https://opnme.com/molecules/plk1-bi-2536
Selectivity Number of Off-targets
8