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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Aminopeptidase N' and Ligand = 'BDBM50400529'   
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))
BDBM50400529
PNG
(CHEMBL2204943)
Show SMILES CC(C)C[C@H](NC(=O)Nc1cccc2ccccc12)C(=O)NO
Show InChI InChI=1S/C17H21N3O3/c1-11(2)10-15(16(21)20-23)19-17(22)18-14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11,15,23H,10H2,1-2H3,(H,20,21)(H2,18,19,22)/t15-/m0/s1
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 99n/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))
BDBM50400529
PNG
(CHEMBL2204943)
Show SMILES CC(C)C[C@H](NC(=O)Nc1cccc2ccccc12)C(=O)NO
Show InChI InChI=1S/C17H21N3O3/c1-11(2)10-15(16(21)20-23)19-17(22)18-14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11,15,23H,10H2,1-2H3,(H,20,21)(H2,18,19,22)/t15-/m0/s1
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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 480n/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)
BDBM50400529
PNG
(CHEMBL2204943)
Show SMILES CC(C)C[C@H](NC(=O)Nc1cccc2ccccc12)C(=O)NO
Show InChI InChI=1S/C17H21N3O3/c1-11(2)10-15(16(21)20-23)19-17(22)18-14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11,15,23H,10H2,1-2H3,(H,20,21)(H2,18,19,22)/t15-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.26E+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