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BSJ-4-116 | BSJ-4-116 : Degrader (PROTAC) of CDK12
RATINGS:
Cellular Use: (3 reviews)

In Model Organisms: (0 reviews)
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary

Targets Biochemical/Biophysical Potency Cellular Potency
CDK12 (Mutant:WT, C1039F)
  • IC50:6 nM
  • Activity:250 nM
Degrader (PROTAC)
50 nM; 150 nM not exceeding 400 nM.
up to 400 nM

Selectivity

In Vitro Selectivity Assessment
Potency Assay Off-Target:
Kinomescan S(10)=0.017, profiled at a concentration of 1 μM against a panel of 468 human kinases
In Cell Selectivity Assessment
Potency Assay Off-Target:
The selectivity for degradation was assessed by proteome-wide profiling using Jurkat cells that were ...

Potency
Cellular
In Vitro

CDK12 (Mutant:WT, C1039F)

Mode of Action: Degrader (PROTAC)

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1038/s41589-021-00765-y

Negative Control Compounds

BSJ-4-116-NC
Notes: BSJ-4-116-NC (cpd 14) blocking binding to CRBN.

Chemical Information

Molecular Formula C40H49ClN8O8S
SMILEs CC(C)S(=O)(=O)c1ccccc1Nc1nc(N[C@@H]2CCCN(CCCCCCCNC(=O)COc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)ncc1Cl
InChI InChI=1S/C40H49ClN8O8S/c1-25(2)58(55,56)32-16-7-6-14-29(32)45-36-28(41)22-43-40(47-36)44-26-12-11-21-48(23-26)20-9-5-3-4-8-19-42-34(51)24-57-31-15-10-13-27-35(31)39(54)49(38(27)53)30-17-18-33(50)46-37(30)52/h6-7,10,13-16,22,25-26,30H,3-5,8-9,11-12,17-21,23-24H2,1-2H3,(H,42,51)(H,46,50,52)(H2,43,44,45,47)/t26-,30?/m1/s1
Molecular weight 836.31 Da
AlogP 0.0
HBond acceptors 16
HBond donors 4
Atoms 107

References

Publications

Cross References

canSARChEMBL

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Expert Reviews

by SERP
(on 9 Jan 2023 )
Cellular Use Rating
( The reviewer did not leave any comments )
by SERP
(on 30 Jan 2023 )
Cellular Use Rating
BSJ-4-116 and its negative control compound BSJ-4-116-NC represent a well characterized pair of substances for use in interrogating selective CDK12 degradation, at least in the cell lines that were used...
by SERP+
(on 31 Oct 2024 )
Cellular Use Rating
There is a difference between the proteomics profile and western blotting as the former shows degradation of CDK13 and the latter doesn't. Therefore, CDK13 may be an off-target.
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