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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin L' and Monomerid = 50233031   
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))
BDBM50233031
PNG
((S)-n-(cyano-dicyclopropyl-methyl)-4,4,4-trifluoro...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)[C@H](N[C@@H](CC(F)(F)F)C(=O)NC(C#N)(C1CC1)C1CC1)C(F)(F)F
Show InChI InChI=1S/C27H27F6N3O3S/c1-40(38,39)21-12-6-17(7-13-21)16-2-4-18(5-3-16)23(27(31,32)33)35-22(14-26(28,29)30)24(37)36-25(15-34,19-8-9-19)20-10-11-20/h2-7,12-13,19-20,22-23,35H,8-11,14H2,1H3,(H,36,37)/t22-,23-/m0/s1
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Similars

Article
PubMed
n/an/a 750n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of cathepsin L


Bioorg Med Chem Lett 18: 923-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.047
BindingDB Entry DOI: 10.7270/Q21J9BM2
More data for this
Ligand-Target Pair