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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Aminopeptidase' and Ligand = 'BDBM50170881'   
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


(Homo sapiens (Human))
BDBM50170881
PNG
(CHEMBL3805028)
Show SMILES CC(C)CNCC(N)P(O)(=O)CC(Cc1ccccc1)C(O)=O
Show InChI InChI=1/C16H27N2O4P/c1-12(2)9-18-10-15(17)23(21,22)11-14(16(19)20)8-13-6-4-3-5-7-13/h3-7,12,14-15,18H,8-11,17H2,1-2H3,(H,19,20)(H,21,22)
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.53E+4n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human ERAP2 preincubated for 30 to 60 mins followed by addition of Arg-AMC as substrate measured for 15 mins by spectrofluorimetric met...


Bioorg Med Chem Lett 26: 4122-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.062
BindingDB Entry DOI: 10.7270/Q2TT4SW1
More data for this
Ligand-Target Pair
Aminopeptidase


(Homo sapiens (Human))
BDBM50170881
PNG
(CHEMBL3805028)
Show SMILES CC(C)CNCC(N)P(O)(=O)CC(Cc1ccccc1)C(O)=O
Show InChI InChI=1/C16H27N2O4P/c1-12(2)9-18-10-15(17)23(21,22)11-14(16(19)20)8-13-6-4-3-5-7-13/h3-7,12,14-15,18H,8-11,17H2,1-2H3,(H,19,20)(H,21,22)
PDB
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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>2.50E+5n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human ERAP1 preincubated for 30 to 60 mins followed by addition of Leu-AMC as substrate measured for 15 mins by spectrofluorimetric met...


Bioorg Med Chem Lett 26: 4122-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.062
BindingDB Entry DOI: 10.7270/Q2TT4SW1
More data for this
Ligand-Target Pair