BI-1915 |
BI-1915 : Inhibitor of CTSS
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| CTSS |
|
|
Inhibitor
1 uM
Selectivity
In Vitro Selectivity Assessment
Potency Assay Off-Target:
Selectivity within target family:
IC50 [µM]: CTSK ( > 10) , CTSL ( > 30) , CTSB ( > 10)
Reaction Bio ...
Potency Cellular
In Vitro
CTSS
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1016/j.bmcl.2012.09.054
Negative Control Compounds
CANSAR4213492
Notes: BI-1920: CTSS binding (SPR): Kd = 272 nM; CTSS inhibition (luminescent based enzymatic assay): IC50 > 20 µM; Eurofins Cerep SafetyScreen44 at 10 µM: clean
Chemical Information
| Molecular Formula | C21H37N5O3 |
| SMILEs | CCC(C)(C)CC[C@H](NC(=O)N1CCOCC1)C(=O)NC1(C#N)CCN(C)CC1 |
| InChI | InChI=1S/C21H37N5O3/c1-5-20(2,3)7-6-17(23-19(28)26-12-14-29-15-13-26)18(27)24-21(16-22)8-10-25(4)11-9-21/h17H,5-15H2,1-4H3,(H,23,28)(H,24,27)/t17-/m0/s1 |
| Molecular weight | 407.29 Da |
| AlogP | 1.7173800000000015 |
| HBond acceptors | 8 |
| HBond donors | 2 |
| Atoms | 66 |