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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50162852   
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))
BDBM50162852
PNG
(1-(1-{3-[5-Acetyl-3-(4-chloro-3-methyl-phenyl)-4,5...)
Show SMILES CCn1c2ccccc2n(C2CCN(CC(O)Cn3nc(c4CN(CCc34)C(C)=O)-c3ccc(Cl)c(C)c3)CC2)c1=O
Show InChI InChI=1S/C32H39ClN6O3/c1-4-37-29-7-5-6-8-30(29)39(32(37)42)24-11-14-35(15-12-24)18-25(41)19-38-28-13-16-36(22(3)40)20-26(28)31(34-38)23-9-10-27(33)21(2)17-23/h5-10,17,24-25,41H,4,11-16,18-20H2,1-3H3
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Similars

Article
PubMed
n/an/a 310n/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