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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Procathepsin L' and Ligand = 'BDBM50271692'   
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
Procathepsin L


(Homo sapiens (Human))
BDBM50271692
PNG
(CHEMBL4126611)
Show SMILES Oc1cccc(C[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C(=O)NCC#N)c1 |r|
Show InChI InChI=1S/C19H16F3N3O3/c20-19(21,22)14-5-2-4-13(11-14)17(27)25-16(18(28)24-8-7-23)10-12-3-1-6-15(26)9-12/h1-6,9,11,16,26H,8,10H2,(H,24,28)(H,25,27)/t16-/m0/s1
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Similars

Article
PubMed
n/an/a 42n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L using Z-L-R-AMC as substrate preincubated for 5 mins followed by substrate addition measured over 5 mins by spectroph...


Bioorg Med Chem Lett 28: 1972-1980 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.020
BindingDB Entry DOI: 10.7270/Q2445PZZ
More data for this
Ligand-Target Pair