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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Aminopeptidase N' and Ligand = 'BDBM50025070'   
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
Aminopeptidase N


(Homo sapiens (Human))
BDBM50025070
PNG
(CHEMBL3355110)
Show SMILES NCc1ccc(CC(CP(O)(=O)C(N)CCc2cccnc2)C(O)=O)cc1
Show InChI InChI=1S/C19H26N3O4P/c20-11-15-5-3-14(4-6-15)10-17(19(23)24)13-27(25,26)18(21)8-7-16-2-1-9-22-12-16/h1-6,9,12,17-18H,7-8,10-11,13,20-21H2,(H,23,24)(H,25,26)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.210n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant alanyl aminopeptidase after 30 to 60 mins by morrison's equation


J Med Chem 57: 8140-51 (2014)


Article DOI: 10.1021/jm501071f
BindingDB Entry DOI: 10.7270/Q2CF9RQF
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50025070
PNG
(CHEMBL3355110)
Show SMILES NCc1ccc(CC(CP(O)(=O)C(N)CCc2cccnc2)C(O)=O)cc1
Show InChI InChI=1S/C19H26N3O4P/c20-11-15-5-3-14(4-6-15)10-17(19(23)24)13-27(25,26)18(21)8-7-16-2-1-9-22-12-16/h1-6,9,12,17-18H,7-8,10-11,13,20-21H2,(H,23,24)(H,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.5n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of pig recombinant alanyl aminopeptidase after 30 to 60 mins by morrison's equation


J Med Chem 57: 8140-51 (2014)


Article DOI: 10.1021/jm501071f
BindingDB Entry DOI: 10.7270/Q2CF9RQF
More data for this
Ligand-Target Pair