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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50186716   
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))
BDBM50186716
PNG
(Ac-hPhe-Leu-Ala-LeuVSMe | CHEMBL207579)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc1ccccc1)NC(C)=O)\C=C\S(C)(=O)=O
Show InChI InChI=1S/C29H46N4O6S/c1-19(2)17-24(15-16-40(7,38)39)32-27(35)21(5)30-29(37)26(18-20(3)4)33-28(36)25(31-22(6)34)14-13-23-11-9-8-10-12-23/h8-12,15-16,19-21,24-26H,13-14,17-18H2,1-7H3,(H,30,37)(H,31,34)(H,32,35)(H,33,36)/b16-15+/t21-,24+,25-,26-/m0/s1
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PC cid
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Similars

Article
PubMed
n/an/a 6.90E+3n/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair