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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Aminopeptidase N' and Ligand = 'BDBM50457481'   
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))
BDBM50457481
PNG
(CHEMBL4076523)
Show SMILES N#Cc1cc(Cc2ccc3c(ccc4ccccc34)c2C#N)cc2c1ccc1ccccc21
Show InChI InChI=1S/C31H18N2/c32-18-24-16-20(17-30-26-8-4-2-6-22(26)9-12-27(24)30)15-23-11-14-28-25-7-3-1-5-21(25)10-13-29(28)31(23)19-33/h1-14,16-17H,15H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
2.01E+3n/an/an/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of human APN


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


(Sus scrofa (Pig))
BDBM50457481
PNG
(CHEMBL4076523)
Show SMILES N#Cc1cc(Cc2ccc3c(ccc4ccccc34)c2C#N)cc2c1ccc1ccccc21
Show InChI InChI=1S/C31H18N2/c32-18-24-16-20(17-30-26-8-4-2-6-22(26)9-12-27(24)30)15-23-11-14-28-25-7-3-1-5-21(25)10-13-29(28)31(23)19-33/h1-14,16-17H,15H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
2.90E+3n/an/an/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of pig APN


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