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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50162846   
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))
BDBM50162846
PNG
(1-(1-{3-[5-Acetyl-3-(4-chloro-3-methyl-phenyl)-4,5...)
Show SMILES CCCCn1c2ccccc2n(C2CCN(CC(O)Cn3nc(c4CN(CCc34)C(C)=O)-c3ccc(Cl)c(C)c3)CC2)c1=O
Show InChI InChI=1/C34H43ClN6O3/c1-4-5-15-39-31-8-6-7-9-32(31)41(34(39)44)26-12-16-37(17-13-26)20-27(43)21-40-30-14-18-38(24(3)42)22-28(30)33(36-40)25-10-11-29(35)23(2)19-25/h6-11,19,26-27,43H,4-5,12-18,20-22H2,1-3H3
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Similars

Article
PubMed
n/an/a 140n/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