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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Legumain' and Ligand = 'BDBM50364357'   
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


(Mus musculus)
BDBM50364357
PNG
(CHEMBL1950272)
Show SMILES CCOC(=O)\C=C\C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)C(C)(C)NC(C)=O |r|
Show InChI InChI=1S/C19H29N5O7/c1-5-31-16(28)9-8-15(27)24(11-14(20)26)22-17(29)13-7-6-10-23(13)18(30)19(3,4)21-12(2)25/h8-9,13H,5-7,10-11H2,1-4H3,(H2,20,26)(H,21,25)(H,22,29)/b9-8+/t13-/m0/s1
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Similars

Article
PubMed
n/an/a 198n/an/an/an/an/an/a



Stanford University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant legumain using Cbz-Ala-Ala-Asn-AMC as substrate measured every 30 secs for 2.5 hrs by fluorimetry


Bioorg Med Chem Lett 22: 1340-3 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.079
BindingDB Entry DOI: 10.7270/Q2H132GV
More data for this
Ligand-Target Pair