SGC-CDKL2/AAK1/BMP2K-1 |
SGC-CDKL2/AAK1/BMP2K-1 : Inhibitor of CDK2
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| CDK2 |
|
|
Inhibitor
up to 1 uM
Selectivity
In Vitro Selectivity Assessment
AAK1
Gene ID: Q2M2I8
Organism: Homo sapiens
Family: Ser/Thr protein kinase family
Potency: IC50 - 160 nM
Potency Assay Off-Target:
SGC-CDKL2/AAK1/BMP2K-1 was profiled in the DiscoverX MAX assay against 403 wild-type kinases at 1 μM ...
In Cell Selectivity Assessment
Potency Assay Off-Target:
Potential off-targets within the S40(1 μM) fraction were tested via biochemical enzymatic and/or Nan ...
In Vitro Selectivity Assessment
BMP2K
Gene ID: Q9NSY1
Organism: Homo sapiens
Family: Ser/Thr protein kinase family
Potency: IC50 - 320 nM
Potency Cellular
In Vitro
CDK2
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1021/acsmedchemlett.4c00219
Negative Control Compounds
SGC-CDKL2/AAK1/BMP2K-1N
Notes: Ngative control does not bind to CDKL2, AAK1, or BMP2K in corresponding cellular target engagement assays
SMILES:
O=C(CC1CC1)NC2=NNC3=C2C=CC(C4=CC=CC(CNS(CC(C)C)(=O)=O)=C4)=C3
Chemical Information
| Molecular Formula | C22H26N4O3S |
| SMILEs | CC(C)CS(=O)(=O)NCc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1 |
| InChI | InChI=1S/C22H26N4O3S/c1-14(2)13-30(28,29)23-12-15-4-3-5-17(10-15)18-8-9-19-20(11-18)25-26-21(19)24-22(27)16-6-7-16/h3-5,8-11,14,16,23H,6-7,12-13H2,1-2H3,(H2,24,25,26,27) |
| Molecular weight | 426.17 Da |
| AlogP | 3.6538000000000013 |
| HBond acceptors | 7 |
| HBond donors | 3 |
| Atoms | 56 |