Compound name
NVS-CECR2-1
Protein family
Bromodomain
Target name
CECR2@BRD
Affinity biochemical (nM)
80
Affinity on-target cellular (nM)
255
CG-Set
Epigenetic set
Recommended Concentration
1 µM
Compound EUbOPEN ID
EUB0000201c
SMILES
CCCS(=O)(=O)c1nc(NC2CC2)cc(-c2ccc3c(ccn3C3CC(C)(C)NC(C)(C)C3)c2)n1
InChIKey
XVECNLUKQDKOST-UHFFFAOYSA-N
NCBI gene ID
27443
UniProt ID
Q9BXF3
Synonyms
KIAA1740
Mode of action
Inhibitor
Negative control
NVS-CECR2-C
Affinity biochemical definition
Kd
Affinity biochemical assay type
ITC
Affinity Biochemical Source Knowledge
https://www.thesgc.org/chemical-probes/NVS-CECR2-1
Affinity biochemical relation
=
Affinity on-target cellular definition
IC50
Affinity on-target cellular assay type
NanoBRET assay (dose-dependent displacement from histone H3.3 in HEK293T cells)
Affinity on-target cellular relation
=
Selectivity platform
Bromodomain panel, literature
Selectivity platform number of targets
48
Selectivity remarks
DSF-assay, dTm(CECR2) = 12.52 K, closest targets, dTM 1-2 K: BRD4(BD2), BRD7, FALZ, SMARCA4, TAF1 (BD2);
Selectivity Source Knowledge
https://www.thesgc.org/chemical-probes/NVS-CECR2-1
Selectivity Number of Off-targets
0