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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Aminopeptidase' and Ligand = 'BDBM50025043'   
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))
BDBM50025043
PNG
(CHEMBL3355104)
Show SMILES NC(CCc1ccc(CO)cc1)P(O)(=O)CC(Cc1ccccc1)C(O)=O
Show InChI InChI=1/C20H26NO5P/c21-19(11-10-15-6-8-17(13-22)9-7-15)27(25,26)14-18(20(23)24)12-16-4-2-1-3-5-16/h1-9,18-19,22H,10-14,21H2,(H,23,24)(H,25,26)
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PC cid
PC sid
UniChem

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Article
PubMed
185n/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))
BDBM50025043
PNG
(CHEMBL3355104)
Show SMILES NC(CCc1ccc(CO)cc1)P(O)(=O)CC(Cc1ccccc1)C(O)=O
Show InChI InChI=1/C20H26NO5P/c21-19(11-10-15-6-8-17(13-22)9-7-15)27(25,26)14-18(20(23)24)12-16-4-2-1-3-5-16/h1-9,18-19,22H,10-14,21H2,(H,23,24)(H,25,26)
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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
991n/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