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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM50186695'   
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))
BDBM50186695
PNG
(CHEMBL208019 | Cbz-Glu(OtBu)-Gly-LeuVSMe)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)C=CS(C)(=O)=O
Show InChI InChI=1S/C27H41N3O8S/c1-19(2)16-21(14-15-39(6,35)36)29-23(31)17-28-25(33)22(12-13-24(32)38-27(3,4)5)30-26(34)37-18-20-10-8-7-9-11-20/h7-11,14-15,19,21-22H,12-13,16-18H2,1-6H3,(H,28,33)(H,29,31)(H,30,34)/b15-14+/t21-,22+/m1/s1
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PC cid
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Similars

Article
PubMed
n/an/a 2.10E+4n/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