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BDBM50134299 CHEMBL3746915

SMILES: CCCS(=O)(=O)N(Cc1ccc(cc1)-c1cccc(F)c1)[C@@H](C)C(=O)N[C@@H](CC(N)=O)C#N

InChI Key: InChIKey=IDBFRTGDIIZWSH-KKSFZXQISA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50134299   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Legumain


(Homo sapiens (Human))
BDBM50134299
PNG
(CHEMBL3746915)
Show SMILES CCCS(=O)(=O)N(Cc1ccc(cc1)-c1cccc(F)c1)[C@@H](C)C(=O)N[C@@H](CC(N)=O)C#N
Show InChI InChI=1S/C23H27FN4O4S/c1-3-11-33(31,32)28(16(2)23(30)27-21(14-25)13-22(26)29)15-17-7-9-18(10-8-17)19-5-4-6-20(24)12-19/h4-10,12,16,21H,3,11,13,15H2,1-2H3,(H2,26,29)(H,27,30)/t16-,21-/m0/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a>1.00E+4n/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