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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin L' and Monomerid = 50173403   
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 L1


(Homo sapiens (Human))
BDBM50173403
PNG
(4-Methyl-2-[2,2,2-trifluoro-1-(4'-piperazin-1-yl-b...)
Show SMILES CC(C)CC(NC(c1ccc(cc1)-c1ccc(cc1)N1CCNCC1)C(F)(F)F)C(=O)NCC#N
Show InChI InChI=1S/C26H32F3N5O/c1-18(2)17-23(25(35)32-12-11-30)33-24(26(27,28)29)21-5-3-19(4-6-21)20-7-9-22(10-8-20)34-15-13-31-14-16-34/h3-10,18,23-24,31,33H,12-17H2,1-2H3,(H,32,35)
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Similars

Article
PubMed
n/an/a 68n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against cathepsin L from human


Bioorg Med Chem Lett 15: 4741-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.071
BindingDB Entry DOI: 10.7270/Q20001NJ
More data for this
Ligand-Target Pair