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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Legumain' and Ligand = 'BDBM50134278'   
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))		BDBM50134278
PNG
(CHEMBL3746674)
Show SMILES C[C@H](N(Cc1ccc(cc1)-c1ccc(F)c(F)c1)S(C)(=O)=O)C(=O)N[C@@H](CC(N)=O)C#N |r|
Show InChI InChI=1S/C21H22F2N4O4S/c1-13(21(29)26-17(11-24)10-20(25)28)27(32(2,30)31)12-14-3-5-15(6-4-14)16-7-8-18(22)19(23)9-16/h3-9,13,17H,10,12H2,1-2H3,(H2,25,28)(H,26,29)/t13-,17-/m0/s1
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 252n/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