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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50221225   
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))
BDBM50221225
PNG
(1-(4-(7-chloro-1H-indol-3-yl)piperidin-1-yl)-3-(5-...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)c1c[nH]c2c(Cl)cccc12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C30H33ClF3N5O3S/c1-43(41,42)38-14-11-27-25(18-38)28(20-5-7-21(8-6-20)30(32,33)34)36-39(27)17-22(40)16-37-12-9-19(10-13-37)24-15-35-29-23(24)3-2-4-26(29)31/h2-8,15,19,22,35,40H,9-14,16-18H2,1H3
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Similars

Article
PubMed
n/an/a 34n/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