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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50135535   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cathepsin S


(Homo sapiens (Human))
BDBM50135535
PNG
(3-{(R)-2-Cyano-2-[(S)-2-(1,1-dimethyl-3-oxo-1,3-di...)
Show SMILES Cc1cccc(C[C@H](Nc2ccc3c(c2)C(=O)OC3(C)C)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1
Show InChI InChI=1S/C31H31N3O6/c1-19-6-4-7-20(12-19)14-27(33-23-10-11-26-25(15-23)30(38)40-31(26,2)3)28(35)34-24(16-32)18-39-17-21-8-5-9-22(13-21)29(36)37/h4-13,15,24,27,33H,14,17-18H2,1-3H3,(H,34,35)(H,36,37)/t24-,27+/m1/s1
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Similars

Article
PubMed
n/an/a 780n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibtitory activity against cathepsin S (catS)


Bioorg Med Chem Lett 13: 4121-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.006
BindingDB Entry DOI: 10.7270/Q2BC3XZC
More data for this
Ligand-Target Pair