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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Endoplasmic reticulum aminopeptidase 1' and Ligand = 'BDBM50519941'   
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 1


(Homo sapiens (Human))
BDBM50519941
PNG
(CHEMBL4528154)
Show SMILES COC(=O)c1ccc(OC)c(c1)S(=O)(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F
Show InChI InChI=1S/C21H23F3N2O5S/c1-30-18-9-6-14(20(27)31-2)12-19(18)32(28,29)25-16-13-15(21(22,23)24)7-8-17(16)26-10-4-3-5-11-26/h6-9,12-13,25H,3-5,10-11H2,1-2H3
PDB
MMDB

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B.MOAD
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.90E+3n/an/an/an/an/an/a



Kansas University Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged ERAP1 expressed in baculovirus infected BTA-TN-5B1-4 insect cells using WRCYEKMALK as substrat...


J Med Chem 63: 103-121 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00293
BindingDB Entry DOI: 10.7270/Q2DN48D3
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50519941
PNG
(CHEMBL4528154)
Show SMILES COC(=O)c1ccc(OC)c(c1)S(=O)(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F
Show InChI InChI=1S/C21H23F3N2O5S/c1-30-18-9-6-14(20(27)31-2)12-19(18)32(28,29)25-16-13-15(21(22,23)24)7-8-17(16)26-10-4-3-5-11-26/h6-9,12-13,25H,3-5,10-11H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Kansas University Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged ERAP1 expressed in baculovirus infected BTA-TN-5B1-4 insect cells using L-AMC as substrate mea...


J Med Chem 63: 103-121 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00293
BindingDB Entry DOI: 10.7270/Q2DN48D3
More data for this
Ligand-Target Pair