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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50214546   
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))
BDBM50214546
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)=O
Show InChI InChI=1S/C30H34F3N3O4S/c1-19(2)17-26(29(38)36-25(28(34)37)18-20-7-5-4-6-8-20)35-27(30(31,32)33)23-11-9-21(10-12-23)22-13-15-24(16-14-22)41(3,39)40/h4-16,19,25-27,35H,17-18H2,1-3H3,(H2,34,37)(H,36,38)/t25-,26-,27-/m0/s1
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Similars

Article
PubMed
n/an/a 6.67E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S


Bioorg Med Chem Lett 17: 4328-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.024
BindingDB Entry DOI: 10.7270/Q2TQ618K
More data for this
Ligand-Target Pair