Chemical Probes logo
BiBET | BiBET : Bivalent inhibitor of BRD2, BRD4, BRD3, BRDT
RATINGS:
Cellular Use: (3 reviews)

In Model Organisms: (1 reviews)
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
Download

Probe Summary

Targets Biochemical/Biophysical Potency Cellular Potency
BRD2
  • Kd:25 nM BD1
  • Kd:63 nM BD2
  • IC50:0.1 nM
BRD4
  • IC50:0.01 nM
  • Kd:39.8 nM BD2
  • Kd:7.9 nM BD1
  • IC50:0.1 nM
BRD3
  • Kd:5 nM BD1
  • Kd:199 nM BD2
  • IC50:0.1 nM
BRDT
  • Kd:2.5 nM BD1
  • Kd:316 nM BD2
  • IC50:0.1 nM
Bivalent inhibitor
10 nM

Selectivity

In Vitro Selectivity Assessment
Potency Assay Off-Target:
Bromoscan (DiscoveRx); biBET shows selectivity for the BET family proteins compared with other BRDs. ...
Selectivity Assessment Description:
In selectivity panels of 123 kinases (ThermoFisher) and 147 secondary pharmacology assays (Cerep), b ...

Potency
Cellular
In Vitro

BRD2

Mode of Action: Bivalent inhibitor

Structure-Activity-Relationship data available? No

PMID Reference: 27775716

BRD4

Mode of Action: Bivalent inhibitor

Structure-Activity-Relationship data available? No

PMID Reference: 27775716

BRD3

Mode of Action: Bivalent inhibitor

Structure-Activity-Relationship data available? No

PMID Reference: 27775716

BRDT

Mode of Action: Bivalent inhibitor

Structure-Activity-Relationship data available? No

PMID Reference: 27775716

Negative Control Compounds

(S)-6-(4-(4-(2-(2,4-dimethyl-3-oxopiperazin-1-yl)ethoxy)phenyl)piperidin-1-yl)-2-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one

Orthogonal Probes def

iBET-762
JQ1

Chemical Information

Molecular Formula C26H30N10O3
SMILEs COc1nnc2ccc(N(C)CCOc3ccc(C4CCN(c5ccc6nnc(OC)n6n5)CC4)cc3)nn12
InChI InChI=1S/C26H30N10O3/c1-33(23-10-8-21-27-29-25(37-2)35(21)31-23)16-17-39-20-6-4-18(5-7-20)19-12-14-34(15-13-19)24-11-9-22-28-30-26(38-3)36(22)32-24/h4-11,19H,12-17H2,1-3H3
Molecular weight 530.25 Da
AlogP 2.4784000000000006
HBond acceptors 13
HBond donors --
Atoms 69

References

Publications

Cross References

canSARPDBPubMed

Vendors

Note: This is not an exhaustive list and does not indicate endorsement by the portal.

Expert Reviews

by SERP
(on 3 Jan 2017 )
Cellular Use Rating
It is interesting to note the targeting approach of engaging two bromodomains simultaneously using a synthetic agent with a bivalent binding mode.
by SERP
(on 5 Jan 2017 )
Cellular Use Rating
In Model Organisms
This is an extremely potent (picomolar) inhibitor of BRD4. Biophysical evidence suggests this pseudosymmetric molecule binds bivalently to the tandem BD1/2 domains (at nonsaturating ligand concentrations),...
by SERP
(on 13 Apr 2017 )
Cellular Use Rating
This is a highly potent (10 nM in cells) BET-family inhibitor.
Note: The Chemical Probes Portal only endorses compounds as chemical probes for use as specific and selective modulators of the proposed target if they receive three or more (3-4) stars. Read more about our evaluation criteria