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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50150532   
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))
BDBM50150532
PNG
((S)-4-Methyl-2-(4''-piperazin-1-yl-biphenyl-4-ylam...)
Show SMILES CC(C)C[C@H](Nc1ccc(cc1)-c1ccc(cc1)N1CCNCC1)C(=O)NCC#N
Show InChI InChI=1S/C24H31N5O/c1-18(2)17-23(24(30)27-12-11-25)28-21-7-3-19(4-8-21)20-5-9-22(10-6-20)29-15-13-26-14-16-29/h3-10,18,23,26,28H,12-17H2,1-2H3,(H,27,30)/t23-/m0/s1
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Similars

Article
PubMed
n/an/a 34n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin S


Bioorg Med Chem Lett 14: 4291-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.087
BindingDB Entry DOI: 10.7270/Q2765DS1
More data for this
Ligand-Target Pair