BAY-6035 |
BAY-6035 : apeptide-competitive inhibitor of SMYD3
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| SMYD3 |
|
|
peptide-competitive
5-10µM could be used as no toxicity has been observed up to 20 µM
Selectivity
In Vitro Selectivity Assessment
Potency Assay Off-Target:
Selectivity was assessed against a set of 34 protein methyltransferases, including several that cont ...
In Cell Selectivity Assessment
Potency Assay Off-Target:
BAY-6035 was used to explore if inhibition of SMYD3 leads to inhibition of proliferation in 13 selec ...
Potency Cellular
In Vitro
SMYD3
Mode of Action: peptide-competitive
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1177/24725552211019409
Negative Control Compounds
BAY-444
Notes: BAY-444 inhibits the in vitro methylation of MEKK2 with IC50 = 23 micromolar.
SMILES:
C[C@@H]1CC(NC2=CC(C(NCCC3CC3)=O)=CC=C2N1C(N4CC5CC5C4)=O)=O
Chemical Information
| Molecular Formula | C22H28N4O3 |
| SMILEs | C[C@H]1CC(=O)Nc2cc(C(=O)NCCC3CC3)ccc2N1C(=O)N1CC2CC2C1 |
| InChI | InChI=1S/C22H28N4O3/c1-13-8-20(27)24-18-10-15(21(28)23-7-6-14-2-3-14)4-5-19(18)26(13)22(29)25-11-16-9-17(16)12-25/h4-5,10,13-14,16-17H,2-3,6-9,11-12H2,1H3,(H,23,28)(H,24,27)/t13-,16?,17?/m0/s1 |
| Molecular weight | 396.22 Da |
| AlogP | 2.8253000000000013 |
| HBond acceptors | 7 |
| HBond donors | 2 |
| Atoms | 57 |