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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Endoplasmic reticulum aminopeptidase 2' and Ligand = 'BDBM50245396'   
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
Endoplasmic reticulum aminopeptidase 2


(Homo sapiens (Human))
BDBM50245396
PNG
(CHEMBL4101200)
Show SMILES N[C@@H](CCc1ccccc1)P(O)(=O)C[C@@H](CC#C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C24H30N3O4P/c1-2-9-20(17-32(30,31)22(25)15-14-18-10-5-3-6-11-18)24(29)27-21(23(26)28)16-19-12-7-4-8-13-19/h1,3-8,10-13,20-22H,9,14-17,25H2,(H2,26,28)(H,27,29)(H,30,31)/t20-,21+,22-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 37n/an/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of ERAP2 (unknown origin) expressed in Hi5 cells by in vitro fluorimetric assay


J Med Chem 59: 9107-9123 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01031
BindingDB Entry DOI: 10.7270/Q2PK0JJG
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 2


(Homo sapiens (Human))
BDBM50245396
PNG
(CHEMBL4101200)
Show SMILES N[C@@H](CCc1ccccc1)P(O)(=O)C[C@@H](CC#C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C24H30N3O4P/c1-2-9-20(17-32(30,31)22(25)15-14-18-10-5-3-6-11-18)24(29)27-21(23(26)28)16-19-12-7-4-8-13-19/h1,3-8,10-13,20-22H,9,14-17,25H2,(H2,26,28)(H,27,29)(H,30,31)/t20-,21+,22-/m1/s1
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n/an/a 37n/an/an/an/an/an/a



Wroc?aw University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of ERAP2 (unknown origin)


Bioorg Med Chem Lett 29: 1031-1042 (2019)


Article DOI: 10.1016/j.bmcl.2019.02.034
BindingDB Entry DOI: 10.7270/Q2DR2ZSK
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 2


(Homo sapiens (Human))
BDBM50245396
PNG
(CHEMBL4101200)
Show SMILES N[C@@H](CCc1ccccc1)P(O)(=O)C[C@@H](CC#C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C24H30N3O4P/c1-2-9-20(17-32(30,31)22(25)15-14-18-10-5-3-6-11-18)24(29)27-21(23(26)28)16-19-12-7-4-8-13-19/h1,3-8,10-13,20-22H,9,14-17,25H2,(H2,26,28)(H,27,29)(H,30,31)/t20-,21+,22-/m1/s1
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n/an/a 3.30E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERAP2


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113053
BindingDB Entry DOI: 10.7270/Q29Z98PR
More data for this
Ligand-Target Pair