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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50162848   
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))
BDBM50162848
PNG
(5-Chloro-3-(1-{2-hydroxy-3-[5-methanesulfonyl-3-(4...)
Show SMILES Cn1c2ccc(Cl)cc2n(C2CCN(CC(O)Cn3nc(c4CN(CCc34)S(C)(=O)=O)-c3ccc(cc3)C(F)(F)F)CC2)c1=O
Show InChI InChI=1S/C30H34ClF3N6O4S/c1-36-26-8-7-21(31)15-27(26)40(29(36)42)22-9-12-37(13-10-22)16-23(41)17-39-25-11-14-38(45(2,43)44)18-24(25)28(35-39)19-3-5-20(6-4-19)30(32,33)34/h3-8,15,22-23,41H,9-14,16-18H2,1-2H3
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Similars

Article
PubMed
n/an/a 80n/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