BindingDB logo
myBDB logout

null

SMILES: C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)O\C=C\C(=O)N(C)Cc1ccccc1

InChI Key: InChIKey=OOAPYTVSZDQVBP-JKZZLZBNSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50143612   
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))		BDBM50143612
PNG
((S)-N'-[(S)-2-((S)-2-Benzyloxycarbonylamino-propio...)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)O\C=C\C(=O)N(C)Cc1ccccc1
Show InChI InChI=1S/C28H34N6O8/c1-19(31-27(39)42-18-22-12-8-5-9-13-22)25(37)30-20(2)26(38)32-34(17-23(29)35)28(40)41-15-14-24(36)33(3)16-21-10-6-4-7-11-21/h4-15,19-20H,16-18H2,1-3H3,(H2,29,35)(H,30,37)(H,31,39)(H,32,38)/b15-14+/t19-,20-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 55n/an/an/an/an/an/a



School of Chemistry and Biochemistry and the Parker H. Petit Institute for Bioengineering and Bioscience

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was evaluated for Irreversible Inhibition of S. mansoni Legumain

J Med Chem 47: 1889-92 (2004)


Article DOI: 10.1021/jm049938j
BindingDB Entry DOI: 10.7270/Q2BZ65G0
More data for this
Ligand-Target Pair