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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50128971   
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))
BDBM50128971
PNG
(CHEMBL304669 | {(S)-1-[2-(4-Cyclohexyloxy-phenylam...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCCNc1ccc(OC2CCCCC2)cc1
Show InChI InChI=1S/C28H39N3O4/c1-21(2)19-26(31-28(33)34-20-22-9-5-3-6-10-22)27(32)30-18-17-29-23-13-15-25(16-14-23)35-24-11-7-4-8-12-24/h3,5-6,9-10,13-16,21,24,26,29H,4,7-8,11-12,17-20H2,1-2H3,(H,30,32)(H,31,33)/t26-/m0/s1
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Similars

Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin S activity


Bioorg Med Chem Lett 13: 1997-2001 (2003)


Article DOI: 10.1016/s0960-894x(03)00344-5
BindingDB Entry DOI: 10.7270/Q2VD6XTQ
More data for this
Ligand-Target Pair