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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50162833   
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))
BDBM50162833
PNG
(1-(1-{(S)-3-[5-Acetyl-3-(4-chloro-3-methyl-phenyl)...)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2C[C@@H](O)CN1CCC(CC1)n1c2cc(Cl)ccc2[nH]c1=O)-c1ccc(Cl)c(C)c1
Show InChI InChI=1S/C30H34Cl2N6O3/c1-18-13-20(3-5-25(18)32)29-24-17-36(19(2)39)12-9-27(24)37(34-29)16-23(40)15-35-10-7-22(8-11-35)38-28-14-21(31)4-6-26(28)33-30(38)41/h3-6,13-14,22-23,40H,7-12,15-17H2,1-2H3,(H,33,41)/t23-/m0/s1
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Similars

Article
PubMed
n/an/a 190n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against cathepsin S


Bioorg Med Chem Lett 15: 1687-91 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.045
BindingDB Entry DOI: 10.7270/Q2HM57ZT
More data for this
Ligand-Target Pair