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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Legumain' and Ligand = 'BDBM50134300'   
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))
BDBM50134300
PNG
(CHEMBL3746661)
Show SMILES CCCS(=O)(=O)N(Cc1ccc(cc1)-c1cccc(F)c1F)[C@@H](C)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C23H26F2N4O4S/c1-3-11-34(32,33)29(15(2)23(31)28-18(13-26)12-21(27)30)14-16-7-9-17(10-8-16)19-5-4-6-20(24)22(19)25/h4-10,15,18H,3,11-12,14H2,1-2H3,(H2,27,30)(H,28,31)/t15-,18-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.75E+3n/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-MCA as substrate preincubated with protein followed by substrate addition measured every...


Bioorg Med Chem Lett 26: 413-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.101
BindingDB Entry DOI: 10.7270/Q2FB54TD
More data for this
Ligand-Target Pair