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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Aminopeptidase N' and Ligand = 'BDBM50400541'   
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


(Sus scrofa (Pig))
BDBM50400541
PNG
(CHEMBL2204950)
Show SMILES COc1cccc(CNC(=O)N[C@@H](CC(C)C)C(=O)NO)c1
Show InChI InChI=1S/C15H23N3O4/c1-10(2)7-13(14(19)18-21)17-15(20)16-9-11-5-4-6-12(8-11)22-3/h4-6,8,10,13,21H,7,9H2,1-3H3,(H,18,19)(H2,16,17,20)/t13-/m0/s1
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 290n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of APN in porcine kidney microsome assessed as inhibition of L-Leu-p-nitroanilide substrate hydrolysis incubated for 5 mins before substra...


ACS Med Chem Lett 3: 959-964 (2012)


Article DOI: 10.1021/ml3000758
BindingDB Entry DOI: 10.7270/Q2QJ7JFR
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50400541
PNG
(CHEMBL2204950)
Show SMILES COc1cccc(CNC(=O)N[C@@H](CC(C)C)C(=O)NO)c1
Show InChI InChI=1S/C15H23N3O4/c1-10(2)7-13(14(19)18-21)17-15(20)16-9-11-5-4-6-12(8-11)22-3/h4-6,8,10,13,21H,7,9H2,1-3H3,(H,18,19)(H2,16,17,20)/t13-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 790n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of APN in human ES2 cell surface assessed as inhibition of L-Leu-p-nitroanilide substrate hydrolysis incubated for 5 mins before substrate...


ACS Med Chem Lett 3: 959-964 (2012)


Article DOI: 10.1021/ml3000758
BindingDB Entry DOI: 10.7270/Q2QJ7JFR
More data for this
Ligand-Target Pair
Aminopeptidase N


(Mus musculus)
BDBM50400541
PNG
(CHEMBL2204950)
Show SMILES COc1cccc(CNC(=O)N[C@@H](CC(C)C)C(=O)NO)c1
Show InChI InChI=1S/C15H23N3O4/c1-10(2)7-13(14(19)18-21)17-15(20)16-9-11-5-4-6-12(8-11)22-3/h4-6,8,10,13,21H,7,9H2,1-3H3,(H,18,19)(H2,16,17,20)/t13-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.61E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of mouse APN


ACS Med Chem Lett 3: 959-964 (2012)


Article DOI: 10.1021/ml3000758
BindingDB Entry DOI: 10.7270/Q2QJ7JFR
More data for this
Ligand-Target Pair