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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin L' and Monomerid = 50323079   
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))
BDBM50323079
PNG
(4-propyl-6-(3-(trifluoromethoxy)phenyl)pyrimidine-...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C15H12F3N3O/c1-2-4-11-8-13(21-14(9-19)20-11)10-5-3-6-12(7-10)22-15(16,17)18/h3,5-8H,2,4H2,1H3
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L


Bioorg Med Chem Lett 20: 4447-50 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4JP2
More data for this
Ligand-Target Pair