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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Legumain' and Ligand = 'BDBM50015348'   
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
Legumain


(Homo sapiens (Human))
BDBM50015348
PNG
(CHEMBL3264578)
Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(cc1)-c1ccc(F)cc1)C#N |r|
Show InChI InChI=1S/C23H23FN4O4/c24-18-9-7-17(8-10-18)16-5-3-15(4-6-16)14-32-23(31)28-11-1-2-20(28)22(30)27-19(13-25)12-21(26)29/h3-10,19-20H,1-2,11-12,14H2,(H2,26,29)(H,27,30)/t19-,20-/m0/s1
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Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Queen's University Belfast

Curated by ChEMBL


Assay Description
Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC fluorogenic substrate


Bioorg Med Chem Lett 24: 2521-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.002
BindingDB Entry DOI: 10.7270/Q2QC052W
More data for this
Ligand-Target Pair