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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'M1 family aminopeptidase' and Ligand = 'BDBM23971'   
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
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM23971
PNG
((2S)-2-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanami...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1
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KEGG

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MCE
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PC sid
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Article
PubMed
190n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant M1-aminopeptidase expressed in Escherichia coli after 40 mins uisng fluorigenic substrate L-Leucyl-7-...


J Med Chem 54: 1655-66 (2011)


Article DOI: 10.1021/jm101227t
BindingDB Entry DOI: 10.7270/Q23X86ZX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM23971
PNG
((2S)-2-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanami...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
PubMed
n/an/a 284n/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Inhibitory activity for Plasmodium falciparum Zinc aminopeptidase


Bioorg Med Chem Lett 13: 2659-62 (2003)


BindingDB Entry DOI: 10.7270/Q20G3KPK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)