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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Oxoeicosanoid receptor 1' and Ligand = 'BDBM50024458'   
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
Oxoeicosanoid receptor 1


(Homo sapiens (Human))
BDBM50024458
PNG
(5-oxo-ETE | CHEMBL18028 | ETE-5-Oxo)
Show SMILES CCCCC\C=C/C\C=C/CC=CC=CC(=O)CCCC(O)=O |w:13.12,11.10|
Show InChI InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-14,16H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12?,16-14?
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Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Florida Institute of Technology

Curated by ChEMBL


Assay Description
Desensitization of 5-oxo-ETE receptor in indo-1-labeled human neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobilization


Bioorg Med Chem Lett 21: 1987-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.021
BindingDB Entry DOI: 10.7270/Q2XW4K3V
More data for this
Ligand-Target Pair
Oxoeicosanoid receptor 1


(Homo sapiens (Human))
BDBM50024458
PNG
(5-oxo-ETE | CHEMBL18028 | ETE-5-Oxo)
Show SMILES CCCCC\C=C/C\C=C/CC=CC=CC(=O)CCCC(O)=O |w:13.12,11.10|
Show InChI InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-14,16H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12?,16-14?
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PubMed
n/an/an/an/a 220n/an/an/an/a



Hospital del Mar Medical Research Institute (IMIM)

Curated by ChEMBL


Assay Description
Agonist activity at human PK-tagged OXER1 expressed in CHOK1 cells assessed as EA-tagged beta-arrestin recruitment by beta-galactosidase enzyme fragm...


Bioorg Med Chem 26: 3580-3587 (2018)


Article DOI: 10.1016/j.bmc.2018.05.036
BindingDB Entry DOI: 10.7270/Q2X63QFQ
More data for this
Ligand-Target Pair
Oxoeicosanoid receptor 1


(Homo sapiens (Human))
BDBM50024458
PNG
(5-oxo-ETE | CHEMBL18028 | ETE-5-Oxo)
Show SMILES CCCCC\C=C/C\C=C/CC=CC=CC(=O)CCCC(O)=O |w:13.12,11.10|
Show InChI InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-14,16H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12?,16-14?
UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 7n/an/an/an/a



Florida Institute of Technology

Curated by ChEMBL


Assay Description
Agonist activity at 5-oxo-ETE receptor in human neutrophils assessed as stimulation of ca2+ mobilization


Bioorg Med Chem Lett 21: 1857-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.032
BindingDB Entry DOI: 10.7270/Q2FN16GB
More data for this
Ligand-Target Pair