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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Aminopeptidase N' and Ligand = 'BDBM50036827'   
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))
BDBM50036827
PNG
(CHEMBL27040 | [4-(2-Amino-3-mercapto-propyl)-cyclo...)
Show SMILES NC(CS)CC1CCC(CC(O)=O)CC1 |(.78,-9.51,;.77,-7.97,;-.58,-7.2,;-1.91,-7.99,;2.1,-7.19,;3.43,-7.94,;3.43,-9.48,;4.76,-10.25,;6.11,-9.46,;7.44,-10.23,;8.77,-9.44,;10.11,-10.21,;8.76,-7.9,;6.1,-7.92,;4.75,-7.15,)|
Show InChI InChI=1S/C11H21NO2S/c12-10(7-15)5-8-1-3-9(4-2-8)6-11(13)14/h8-10,15H,1-7,12H2,(H,13,14)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
35n/an/an/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of hog kidney APN using [3H]Tyr1-Leu5-enkephalin as substrate preincubated for 15 mins followed by substrate addition measured after 15 mi...


J Med Chem 61: 6468-6490 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00782
BindingDB Entry DOI: 10.7270/Q28S4SHS
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50036827
PNG
(CHEMBL27040 | [4-(2-Amino-3-mercapto-propyl)-cyclo...)
Show SMILES NC(CS)CC1CCC(CC(O)=O)CC1 |(.78,-9.51,;.77,-7.97,;-.58,-7.2,;-1.91,-7.99,;2.1,-7.19,;3.43,-7.94,;3.43,-9.48,;4.76,-10.25,;6.11,-9.46,;7.44,-10.23,;8.77,-9.44,;10.11,-10.21,;8.76,-7.9,;6.1,-7.92,;4.75,-7.15,)|
Show InChI InChI=1S/C11H21NO2S/c12-10(7-15)5-8-1-3-9(4-2-8)6-11(13)14/h8-10,15H,1-7,12H2,(H,13,14)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
35n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of aminopeptidase N (APN)


J Med Chem 37: 1339-46 (1994)


BindingDB Entry DOI: 10.7270/Q2K074ZR
More data for this
Ligand-Target Pair