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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Legumain' and Ligand = 'BDBM22131'   
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


(Ixodes ricinus)
BDBM22131
PNG
(aza-peptide Michael acceptor, 7c | benzyl N-[(1S)-...)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)c1ccccc1 |r,w:28.28|
Show InChI InChI=1S/C26H29N5O7/c1-17(29-26(37)38-16-19-9-5-3-6-10-19)24(35)28-18(2)25(36)30-31(15-22(27)33)23(34)14-13-21(32)20-11-7-4-8-12-20/h3-14,17-18H,15-16H2,1-2H3,(H2,27,33)(H,28,35)(H,29,37)(H,30,36)/t17-,18-/m0/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/a25



Georgia Institute of Technology



Assay Description
AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...


J Med Chem 51: 2816-32 (2008)


Article DOI: 10.1021/jm701311r
BindingDB Entry DOI: 10.7270/Q2KK9937
More data for this
Ligand-Target Pair
Legumain


(Schistosoma mansoni)
BDBM22131
PNG
(aza-peptide Michael acceptor, 7c | benzyl N-[(1S)-...)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)c1ccccc1 |r,w:28.28|
Show InChI InChI=1S/C26H29N5O7/c1-17(29-26(37)38-16-19-9-5-3-6-10-19)24(35)28-18(2)25(36)30-31(15-22(27)33)23(34)14-13-21(32)20-11-7-4-8-12-20/h3-14,17-18H,15-16H2,1-2H3,(H2,27,33)(H,28,35)(H,29,37)(H,30,36)/t17-,18-/m0/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/an/an/an/a6.822



Georgia Institute of Technology



Assay Description
AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...


J Med Chem 51: 2816-32 (2008)


Article DOI: 10.1021/jm701311r
BindingDB Entry DOI: 10.7270/Q2KK9937
More data for this
Ligand-Target Pair