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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50245390   
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
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))
BDBM50245390
PNG
(CHEMBL4077855)
Show SMILES N[C@@H](CCc1ccccc1)P(O)(=O)C[C@@H](Cc1cc(no1)-c1ccccc1O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C31H35N4O6P/c32-29(16-15-21-9-3-1-4-10-21)42(39,40)20-23(18-24-19-26(35-41-24)25-13-7-8-14-28(25)36)31(38)34-27(30(33)37)17-22-11-5-2-6-12-22/h1-14,19,23,27,29,36H,15-18,20,32H2,(H2,33,37)(H,34,38)(H,39,40)/t23-,27+,29-/m1/s1
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Article
PubMed
n/an/a 9n/an/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of IRAP (unknown origin) expressed in HEK 293S GnTI(-) 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 1


(Homo sapiens (Human))
BDBM50245390
PNG
(CHEMBL4077855)
Show SMILES N[C@@H](CCc1ccccc1)P(O)(=O)C[C@@H](Cc1cc(no1)-c1ccccc1O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C31H35N4O6P/c32-29(16-15-21-9-3-1-4-10-21)42(39,40)20-23(18-24-19-26(35-41-24)25-13-7-8-14-28(25)36)31(38)34-27(30(33)37)17-22-11-5-2-6-12-22/h1-14,19,23,27,29,36H,15-18,20,32H2,(H2,33,37)(H,34,38)(H,39,40)/t23-,27+,29-/m1/s1
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n/an/a 65n/an/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of ERAP1 (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))
BDBM50245390
PNG
(CHEMBL4077855)
Show SMILES N[C@@H](CCc1ccccc1)P(O)(=O)C[C@@H](Cc1cc(no1)-c1ccccc1O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C31H35N4O6P/c32-29(16-15-21-9-3-1-4-10-21)42(39,40)20-23(18-24-19-26(35-41-24)25-13-7-8-14-28(25)36)31(38)34-27(30(33)37)17-22-11-5-2-6-12-22/h1-14,19,23,27,29,36H,15-18,20,32H2,(H2,33,37)(H,34,38)(H,39,40)/t23-,27+,29-/m1/s1
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Article
PubMed
n/an/a 83n/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
3D
3D Structure (crystal)