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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50221239   
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))
BDBM50221239
PNG
(CHEMBL394422 | methyl 3-(1-(3-(5-acetyl-3-(4-(trif...)
Show SMILES COC(=O)c1oc2cc(F)ccc2c1C1CCN(CC(O)Cn2nc(c3CN(CCc23)C(C)=O)-c2ccc(cc2)C(F)(F)F)CC1
Show InChI InChI=1S/C33H34F4N4O5/c1-19(42)40-14-11-27-26(18-40)30(21-3-5-22(6-4-21)33(35,36)37)38-41(27)17-24(43)16-39-12-9-20(10-13-39)29-25-8-7-23(34)15-28(25)46-31(29)32(44)45-2/h3-8,15,20,24,43H,9-14,16-18H2,1-2H3
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Similars

Article
PubMed
n/an/a 220n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S


Bioorg Med Chem Lett 17: 5525-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.038
BindingDB Entry DOI: 10.7270/Q2ST7PKK
More data for this
Ligand-Target Pair