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Compile Data Set for Download or QSAR

Found 8 hits of ec50 data for polymerid = 49001044   
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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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
Oxoeicosanoid receptor 1


(Homo sapiens (Human))
BDBM50338299
PNG
(15-hydroxy-5-oxo-eicosa-6(E),8(Z),11(Z),13(E)tetra...)
Show SMILES CCCCC[C@H](O)\C=C\C=C/CC=CC=CC(=O)CCCC(O)=O |r,w:12.11,14.13|
Show InChI InChI=1S/C20H30O4/c1-2-3-9-13-18(21)14-10-7-5-4-6-8-11-15-19(22)16-12-17-20(23)24/h5-8,10-11,14-15,18,21H,2-4,9,12-13,16-17H2,1H3,(H,23,24)/b7-5-,8-6?,14-10+,15-11?/t18-/m0/s1
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n/an/an/an/a 56n/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
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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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))
BDBM50275217
PNG
(CHEMBL4127146)
Show SMILES CC\C=C/C\C=C/C\C=C/C\C=C/C=C/C(=O)CCCC(O)=O
Show InChI InChI=1S/C20H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h3-4,6-7,9-10,12-14,16H,2,5,8,11,15,17-18H2,1H3,(H,22,23)/b4-3-,7-6-,10-9-,13-12-,16-14+
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n/an/an/an/a 380n/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))
BDBM50027524
PNG
(5-Oxo-icosa-6,8,11,14-tetraenoic acid methyl ester...)
Show SMILES CCCCC\C=C/C\C=C/CC=CC=CC(=O)CCCC(=O)OC |w:13.12,11.10|
Show InChI InChI=1S/C21H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20(22)18-16-19-21(23)24-2/h7-8,10-11,13-15,17H,3-6,9,12,16,18-19H2,1-2H3/b8-7-,11-10-,14-13?,17-15?
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n/an/an/an/a 1.54E+3n/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))
BDBM50275216
PNG
(CHEMBL4130040)
Show SMILES CC\C=C/C\C=C/C\C=C/C\C=C/C=C/C(=O)CCCC(=O)OC
Show InChI InChI=1S/C21H30O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20(22)18-16-19-21(23)24-2/h4-5,7-8,10-11,13-15,17H,3,6,9,12,16,18-19H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-15+
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n/an/an/an/a 2.08E+3n/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))
BDBM50275229
PNG
(CHEMBL4128214)
Show SMILES CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C=C/C(=O)CCC(=O)OC
Show InChI InChI=1S/C23H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)20-21-23(25)26-2/h4-5,7-8,10-11,13-14,16-19H,3,6,9,12,15,20-21H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-,19-18+
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n/an/an/an/a>1.00E+5n/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))
BDBM50275215
PNG
(CHEMBL4128585)
Show SMILES CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C=C/C(=O)CCC(O)=O
Show InChI InChI=1S/C22H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)19-20-22(24)25/h3-4,6-7,9-10,12-13,15-18H,2,5,8,11,14,19-20H2,1H3,(H,24,25)/b4-3-,7-6-,10-9-,13-12-,16-15-,18-17+
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n/an/an/an/a>1.00E+5n/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