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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50314212   
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))
BDBM50314212
PNG
((S)-1-(3-(3-(2-(4-fluoropiperidin-1-yl)ethylthio)-...)
Show SMILES CCC(=O)N1CCc2c(C1)c(nn2C[C@@H](O)CN1CCCCC1)-c1ccc(c(SCCN2CCC(F)CC2)c1)C(F)(F)F
Show InChI InChI=1/C31H43F4N5O2S/c1-2-29(42)39-15-10-27-25(21-39)30(36-40(27)20-24(41)19-38-11-4-3-5-12-38)22-6-7-26(31(33,34)35)28(18-22)43-17-16-37-13-8-23(32)9-14-37/h6-7,18,23-24,41H,2-5,8-17,19-21H2,1H3/t24-/s2
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Similars

Article
PubMed
n/an/a 690n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S by ADAM-28 substrate-based fluorescence assay


Bioorg Med Chem Lett 20: 2375-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.104
BindingDB Entry DOI: 10.7270/Q2B85888
More data for this
Ligand-Target Pair