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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Aminopeptidase' and Ligand = 'BDBM50170883'   
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))
BDBM50170883
PNG
(CHEMBL3805118)
Show SMILES NC(CNC1CCCCCC1)P(O)(=O)CC(Cc1ccccc1)C(O)=O
Show InChI InChI=1/C19H31N2O4P/c20-18(13-21-17-10-6-1-2-7-11-17)26(24,25)14-16(19(22)23)12-15-8-4-3-5-9-15/h3-5,8-9,16-18,21H,1-2,6-7,10-14,20H2,(H,22,23)(H,24,25)
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
9.51E+3n/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))
BDBM50170883
PNG
(CHEMBL3805118)
Show SMILES NC(CNC1CCCCCC1)P(O)(=O)CC(Cc1ccccc1)C(O)=O
Show InChI InChI=1/C19H31N2O4P/c20-18(13-21-17-10-6-1-2-7-11-17)26(24,25)14-16(19(22)23)12-15-8-4-3-5-9-15/h3-5,8-9,16-18,21H,1-2,6-7,10-14,20H2,(H,22,23)(H,24,25)
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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