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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50233040   
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))
BDBM50233040
PNG
((S)-4-methyl-2-[(S)-2,2,2-trifluoro-1-(4'-methanes...)
Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@H](Cc1ccccc1)C#N
Show InChI InChI=1S/C30H32F3N3O3S/c1-20(2)17-27(29(37)35-25(19-34)18-21-7-5-4-6-8-21)36-28(30(31,32)33)24-11-9-22(10-12-24)23-13-15-26(16-14-23)40(3,38)39/h4-16,20,25,27-28,36H,17-18H2,1-3H3,(H,35,37)/t25-,27+,28+/m1/s1
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Similars

Article
PubMed
n/an/a 2.83E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S


Bioorg Med Chem Lett 18: 923-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.047
BindingDB Entry DOI: 10.7270/Q21J9BM2
More data for this
Ligand-Target Pair