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Compile Data Set for Download or QSAR

Found 41 hits Enz. Inhib. hit(s) with all data for entry = 50043834   
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))		BDBM50446952
PNG
(CHEMBL3115775)
Show SMILES CCCCCCc1c(C(=O)CC(C)CC(O)=O)c2cc(Cl)ccc2n1C
Show InChI InChI=1S/C21H28ClNO3/c1-4-5-6-7-8-18-21(19(24)11-14(2)12-20(25)26)16-13-15(22)9-10-17(16)23(18)3/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,25,26)
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n/an/a 6n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at OXE receptor (unknown origin) expressed in indo-1 loaded neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobil...

J Med Chem 57: 364-77 (2014)


Article DOI: 10.1021/jm401292m
BindingDB Entry DOI: 10.7270/Q2N87C82
More data for this
Ligand-Target Pair
Oxoeicosanoid receptor 1


(Homo sapiens (Human))		BDBM50446953
PNG
(CHEMBL3115774)
Show SMILES CCCCCCc1cc2ccc(Cl)cc2n1C(=O)CC(C)CC(O)=O
Show InChI InChI=1S/C20H26ClNO3/c1-3-4-5-6-7-17-12-15-8-9-16(21)13-18(15)22(17)19(23)10-14(2)11-20(24)25/h8-9,12-14H,3-7,10-11H2,1-2H3,(H,24,25)
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n/an/a 7n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at OXE receptor (unknown origin) expressed in indo-1 loaded neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobil...

J Med Chem 57: 364-77 (2014)


Article DOI: 10.1021/jm401292m
BindingDB Entry DOI: 10.7270/Q2N87C82
More data for this
Ligand-Target Pair
Oxoeicosanoid receptor 1


(Homo sapiens (Human))		BDBM50446954
PNG
(CHEMBL3115793)
Show SMILES CCCCCCc1c(C(=O)CC(C)CC(O)=O)c2cc(Br)ccc2n1C
Show InChI InChI=1S/C21H28BrNO3/c1-4-5-6-7-8-18-21(19(24)11-14(2)12-20(25)26)16-13-15(22)9-10-17(16)23(18)3/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,25,26)
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n/an/a 26n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at OXE receptor (unknown origin) expressed in indo-1 loaded neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobil...

J Med Chem 57: 364-77 (2014)


Article DOI: 10.1021/jm401292m
BindingDB Entry DOI: 10.7270/Q2N87C82
More data for this
Ligand-Target Pair
Oxoeicosanoid receptor 1


(Homo sapiens (Human))		BDBM50446961
PNG
(CHEMBL3115786)
Show SMILES CCCCCCc1cc2ccc(Br)cc2n1C(=O)CC(C)CC(O)=O
Show InChI InChI=1S/C20H26BrNO3/c1-3-4-5-6-7-17-12-15-8-9-16(21)13-18(15)22(17)19(23)10-14(2)11-20(24)25/h8-9,12-14H,3-7,10-11H2,1-2H3,(H,24,25)
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n/an/a 30n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at OXE receptor (unknown origin) expressed in indo-1 loaded neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobil...

J Med Chem 57: 364-77 (2014)


Article DOI: 10.1021/jm401292m
BindingDB Entry DOI: 10.7270/Q2N87C82
More data for this
Ligand-Target Pair
Oxoeicosanoid receptor 1


(Homo sapiens (Human))		BDBM50446953
PNG
(CHEMBL3115774)
Show SMILES CCCCCCc1cc2ccc(Cl)cc2n1C(=O)CC(C)CC(O)=O
Show InChI InChI=1S/C20H26ClNO3/c1-3-4-5-6-7-17-12-15-8-9-16(21)13-18(15)22(17)19(23)10-14(2)11-20(24)25/h8-9,12-14H,3-7,10-11H2,1-2H3,(H,24,25)
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n/an/a 30n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at OXE receptor (unknown origin) expressed in anti-CD49d-labeled eosinophils assessed as inhibition of 5-oxo-ETE-induced F-actin ...

J Med Chem 57: 364-77 (2014)


Article DOI: 10.1021/jm401292m
BindingDB Entry DOI: 10.7270/Q2N87C82
More data for this
Ligand-Target Pair
Oxoeicosanoid receptor 1


(Homo sapiens (Human))		BDBM50446952
PNG
(CHEMBL3115775)
Show SMILES CCCCCCc1c(C(=O)CC(C)CC(O)=O)c2cc(Cl)ccc2n1C
Show InChI InChI=1S/C21H28ClNO3/c1-4-5-6-7-8-18-21(19(24)11-14(2)12-20(25)26)16-13-15(22)9-10-17(16)23(18)3/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,25,26)
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n/an/a 33n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at OXE receptor (unknown origin) expressed in anti-CD49d-labeled eosinophils assessed as inhibition of 5-oxo-ETE-induced F-actin ...

J Med Chem 57: 364-77 (2014)


Article DOI: 10.1021/jm401292m
BindingDB Entry DOI: 10.7270/Q2N87C82
More data for this
Ligand-Target Pair
Oxoeicosanoid receptor 1


(Homo sapiens (Human))		BDBM50446955
PNG
(CHEMBL3115792)
Show SMILES CCCCCCc1c(C(=O)CC(C)CC(O)=O)c2ccc(Cl)cc2n1C
Show InChI InChI=1S/C21H28ClNO3/c1-4-5-6-7-8-17-21(19(24)11-14(2)12-20(25)26)16-10-9-15(22)13-18(16)23(17)3/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,25,26)
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n/an/a 81n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at OXE receptor (unknown origin) expressed in indo-1 loaded neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobil...

J Med Chem 57: 364-77 (2014)


Article DOI: 10.1021/jm401292m
BindingDB Entry DOI: 10.7270/Q2N87C82
More data for this
Ligand-Target Pair
Oxoeicosanoid receptor 1


(Homo sapiens (Human))		BDBM50446965
PNG
(CHEMBL3115782)
Show SMILES CCCCCCc1cc2ccccc2n1C(=O)CC(C)CC(O)=O
Show InChI InChI=1S/C20H27NO3/c1-3-4-5-6-10-17-14-16-9-7-8-11-18(16)21(17)19(22)12-15(2)13-20(23)24/h7-9,11,14-15H,3-6,10,12-13H2,1-2H3,(H,23,24)
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n/an/a 90n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at OXE receptor (unknown origin) expressed in indo-1 loaded neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobil...

J Med Chem 57: 364-77 (2014)


Article DOI: 10.1021/jm401292m
BindingDB Entry DOI: 10.7270/Q2N87C82
More data for this
Ligand-Target Pair
Oxoeicosanoid receptor 1


(Homo sapiens (Human))		BDBM50446964
PNG
(CHEMBL3115783)
Show SMILES CCCCCCc1c(C)c2ccccc2n1C(=O)CC(C)CC(O)=O
Show InChI InChI=1S/C21H29NO3/c1-4-5-6-7-11-18-16(3)17-10-8-9-12-19(17)22(18)20(23)13-15(2)14-21(24)25/h8-10,12,15H,4-7,11,13-14H2,1-3H3,(H,24,25)
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n/an/a 136n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at OXE receptor (unknown origin) expressed in indo-1 loaded neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobil...

J Med Chem 57: 364-77 (2014)


Article DOI: 10.1021/jm401292m
BindingDB Entry DOI: 10.7270/Q2N87C82
More data for this
Ligand-Target Pair
Oxoeicosanoid receptor 1


(Homo sapiens (Human))		BDBM50446962
PNG
(CHEMBL3115785)
Show SMILES CCCCCCc1cc2cc(Cl)ccc2n1C(=O)CC(C)CC(O)=O
Show InChI InChI=1S/C20H26ClNO3/c1-3-4-5-6-7-17-13-15-12-16(21)8-9-18(15)22(17)19(23)10-14(2)11-20(24)25/h8-9,12-14H,3-7,10-11H2,1-2H3,(H,24,25)
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n/an/a 141n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at OXE receptor (unknown origin) expressed in indo-1 loaded neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobil...

J Med Chem 57: 364-77 (2014)


Article DOI: 10.1021/jm401292m
BindingDB Entry DOI: 10.7270/Q2N87C82
More data for this
Ligand-Target Pair
Oxoeicosanoid receptor 1


(Homo sapiens (Human))		BDBM50446956
PNG
(CHEMBL3115791)
Show SMILES CCCCCCc1c(C(=O)CC(C)CC(O)=O)c2ccccc2n1C
Show InChI InChI=1S/C21H29NO3/c1-4-5-6-7-12-18-21(19(23)13-15(2)14-20(24)25)16-10-8-9-11-17(16)22(18)3/h8-11,15H,4-7,12-14H2,1-3H3,(H,24,25)
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n/an/a 314n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at OXE receptor (unknown origin) expressed in indo-1 loaded neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobil...

J Med Chem 57: 364-77 (2014)


Article DOI: 10.1021/jm401292m
BindingDB Entry DOI: 10.7270/Q2N87C82
More data for this
Ligand-Target Pair
Oxoeicosanoid receptor 1


(Homo sapiens (Human))		BDBM50446960
PNG
(CHEMBL3115787)
Show SMILES CCCCCCc1cc2ccc(OC)cc2n1C(=O)CC(C)CC(O)=O
Show InChI InChI=1S/C21H29NO4/c1-4-5-6-7-8-17-13-16-9-10-18(26-3)14-19(16)22(17)20(23)11-15(2)12-21(24)25/h9-10,13-15H,4-8,11-12H2,1-3H3,(H,24,25)
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n/an/a 323n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at OXE receptor (unknown origin) expressed in indo-1 loaded neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobil...

J Med Chem 57: 364-77 (2014)


Article DOI: 10.1021/jm401292m
BindingDB Entry DOI: 10.7270/Q2N87C82
More data for this
Ligand-Target Pair
Oxoeicosanoid receptor 1


(Homo sapiens (Human))		BDBM50446953
PNG
(CHEMBL3115774)
Show SMILES CCCCCCc1cc2ccc(Cl)cc2n1C(=O)CC(C)CC(O)=O
Show InChI InChI=1S/C20H26ClNO3/c1-3-4-5-6-7-17-12-15-8-9-16(21)13-18(15)22(17)19(23)10-14(2)11-20(24)25/h8-9,12-14H,3-7,10-11H2,1-2H3,(H,24,25)
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n/an/a 402n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at OXE receptor (unknown origin) expressed in neutrophils assessed as inhibition of 5-oxo-ETE-induced cell migration after 2 hrs ...

J Med Chem 57: 364-77 (2014)


Article DOI: 10.1021/jm401292m
BindingDB Entry DOI: 10.7270/Q2N87C82
More data for this
Ligand-Target Pair
Oxoeicosanoid receptor 1


(Homo sapiens (Human))		BDBM50446952
PNG
(CHEMBL3115775)
Show SMILES CCCCCCc1c(C(=O)CC(C)CC(O)=O)c2cc(Cl)ccc2n1C
Show InChI InChI=1S/C21H28ClNO3/c1-4-5-6-7-8-18-21(19(24)11-14(2)12-20(25)26)16-13-15(22)9-10-17(16)23(18)3/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,25,26)
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n/an/a 454n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at OXE receptor (unknown origin) expressed in neutrophils assessed as inhibition of 5-oxo-ETE-induced cell migration after 2 hrs ...

J Med Chem 57: 364-77 (2014)


Article DOI: 10.1021/jm401292m
BindingDB Entry DOI: 10.7270/Q2N87C82
More data for this
Ligand-Target Pair
Oxoeicosanoid receptor 1


(Homo sapiens (Human))		BDBM50446976
PNG
(CHEMBL3115777 | CHEMBL3115778)
Show SMILES CCCCC\C=C/C[C@H](O)\C=C\C=CC=CC(=O)CCCC(O)=O |r,w:15.15,13.13|
Show InChI InChI=1S/C20H30O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18,21H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7?,9-6-,14-10+,15-11?/t18-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at OXE receptor in human neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobilization by spectrofluorometric anal...

J Med Chem 57: 364-77 (2014)


Article DOI: 10.1021/jm401292m
BindingDB Entry DOI: 10.7270/Q2N87C82
More data for this
Ligand-Target Pair
Oxoeicosanoid receptor 1


(Homo sapiens (Human))		BDBM50446969
PNG
(CHEMBL3115800)
Show SMILES CCCCCCCCC\C=C/c1cc2ccccc2n1C(=O)CCCC(O)=O
Show InChI InChI=1S/C24H33NO3/c1-2-3-4-5-6-7-8-9-10-15-21-19-20-14-11-12-16-22(20)25(21)23(26)17-13-18-24(27)28/h10-12,14-16,19H,2-9,13,17-18H2,1H3,(H,27,28)/b15-10-
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McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at OXE receptor (unknown origin) expressed in indo-1 loaded neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobil...

J Med Chem 57: 364-77 (2014)


Article DOI: 10.1021/jm401292m
BindingDB Entry DOI: 10.7270/Q2N87C82
More data for this
Ligand-Target Pair
Oxoeicosanoid receptor 1


(Homo sapiens (Human))		BDBM50446957
PNG
(CHEMBL3115790)
Show SMILES CCCCCCc1c(C(=O)CCCC(O)=O)c2cc(Cl)ccc2n1C
Show InChI InChI=1S/C20H26ClNO3/c1-3-4-5-6-8-17-20(18(23)9-7-10-19(24)25)15-13-14(21)11-12-16(15)22(17)2/h11-13H,3-10H2,1-2H3,(H,24,25)
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n/an/a 566n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at OXE receptor (unknown origin) expressed in indo-1 loaded neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobil...

J Med Chem 57: 364-77 (2014)


Article DOI: 10.1021/jm401292m
BindingDB Entry DOI: 10.7270/Q2N87C82
More data for this
Ligand-Target Pair
Oxoeicosanoid receptor 1


(Homo sapiens (Human))		BDBM50446971
PNG
(CHEMBL3115798)
Show SMILES CCCCCCCCc1cc2ccccc2n1C(=O)CCCC(O)=O
Show InChI InChI=1S/C21H29NO3/c1-2-3-4-5-6-7-12-18-16-17-11-8-9-13-19(17)22(18)20(23)14-10-15-21(24)25/h8-9,11,13,16H,2-7,10,12,14-15H2,1H3,(H,24,25)
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McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at OXE receptor (unknown origin) expressed in indo-1 loaded neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobil...

J Med Chem 57: 364-77 (2014)


Article DOI: 10.1021/jm401292m
BindingDB Entry DOI: 10.7270/Q2N87C82
More data for this
Ligand-Target Pair
Oxoeicosanoid receptor 1


(Homo sapiens (Human))		BDBM50446963
PNG
(CHEMBL3115784)
Show SMILES CCCCCCc1cc2cc(Br)ccc2n1C(=O)CC(C)CC(O)=O
Show InChI InChI=1S/C20H26BrNO3/c1-3-4-5-6-7-17-13-15-12-16(21)8-9-18(15)22(17)19(23)10-14(2)11-20(24)25/h8-9,12-14H,3-7,10-11H2,1-2H3,(H,24,25)
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n/an/a 638n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at OXE receptor (unknown origin) expressed in indo-1 loaded neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobil...

J Med Chem 57: 364-77 (2014)


Article DOI: 10.1021/jm401292m
BindingDB Entry DOI: 10.7270/Q2N87C82
More data for this
Ligand-Target Pair
Oxoeicosanoid receptor 1


(Homo sapiens (Human))		BDBM50446970
PNG
(CHEMBL3115799)
Show SMILES CCCCCCCCCCCc1cc2ccccc2n1C(=O)CCCC(O)=O
Show InChI InChI=1S/C24H35NO3/c1-2-3-4-5-6-7-8-9-10-15-21-19-20-14-11-12-16-22(20)25(21)23(26)17-13-18-24(27)28/h11-12,14,16,19H,2-10,13,15,17-18H2,1H3,(H,27,28)
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n/an/a 700n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at OXE receptor (unknown origin) expressed in indo-1 loaded neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobil...

J Med Chem 57: 364-77 (2014)


Article DOI: 10.1021/jm401292m
BindingDB Entry DOI: 10.7270/Q2N87C82
More data for this
Ligand-Target Pair
Oxoeicosanoid receptor 1


(Homo sapiens (Human))		BDBM50446972
PNG
(CHEMBL3115797)
Show SMILES CCCCCCCc1cc2ccccc2n1C(=O)CCCC(O)=O
Show InChI InChI=1S/C20H27NO3/c1-2-3-4-5-6-11-17-15-16-10-7-8-12-18(16)21(17)19(22)13-9-14-20(23)24/h7-8,10,12,15H,2-6,9,11,13-14H2,1H3,(H,23,24)
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McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at OXE receptor (unknown origin) expressed in indo-1 loaded neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobil...

J Med Chem 57: 364-77 (2014)


Article DOI: 10.1021/jm401292m
BindingDB Entry DOI: 10.7270/Q2N87C82
More data for this
Ligand-Target Pair
Oxoeicosanoid receptor 1


(Homo sapiens (Human))		BDBM50431184
PNG
(CHEMBL2332567)
Show SMILES CCCCCCc1cc2ccccc2n1C(=O)CCCC(O)=O
Show InChI InChI=1S/C19H25NO3/c1-2-3-4-5-10-16-14-15-9-6-7-11-17(15)20(16)18(21)12-8-13-19(22)23/h6-7,9,11,14H,2-5,8,10,12-13H2,1H3,(H,22,23)
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n/an/a 1.13E+3n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at OXE receptor (unknown origin) expressed in indo-1 loaded neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobil...

J Med Chem 57: 364-77 (2014)


Article DOI: 10.1021/jm401292m
BindingDB Entry DOI: 10.7270/Q2N87C82
More data for this
Ligand-Target Pair
Oxoeicosanoid receptor 1


(Homo sapiens (Human))		BDBM50446967
PNG
(CHEMBL3115780)
Show SMILES CCCCCCc1cc2ccccc2n1C(=O)CC1(CC(O)=O)CC1
Show InChI InChI=1S/C21H27NO3/c1-2-3-4-5-9-17-13-16-8-6-7-10-18(16)22(17)19(23)14-21(11-12-21)15-20(24)25/h6-8,10,13H,2-5,9,11-12,14-15H2,1H3,(H,24,25)
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n/an/a 1.63E+3n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at OXE receptor (unknown origin) expressed in indo-1 loaded neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobil...

J Med Chem 57: 364-77 (2014)


Article DOI: 10.1021/jm401292m
BindingDB Entry DOI: 10.7270/Q2N87C82
More data for this
Ligand-Target Pair
Oxoeicosanoid receptor 1


(Homo sapiens (Human))		BDBM50210259
PNG
((4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hex...)
Show SMILES CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O
Show InChI InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
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n/an/a 2.00E+3n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at human OXE receptor fused with G-alphai assessed as inhibition of 5-oxo-ETE-induced GTPgammaS binding after 60 mins by liquid s...

J Med Chem 57: 364-77 (2014)


Article DOI: 10.1021/jm401292m
BindingDB Entry DOI: 10.7270/Q2N87C82
More data for this
Ligand-Target Pair
Oxoeicosanoid receptor 1


(Homo sapiens (Human))		BDBM50242349
PNG
((5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-eicosapentaenoic ...)
Show SMILES CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-15-
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n/an/a 2.00E+3n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at human OXE receptor fused with G-alphai assessed as inhibition of 5-oxo-ETE-induced GTPgammaS binding after 60 mins by liquid s...

J Med Chem 57: 364-77 (2014)


Article DOI: 10.1021/jm401292m
BindingDB Entry DOI: 10.7270/Q2N87C82
More data for this
Ligand-Target Pair
Oxoeicosanoid receptor 1


(Homo sapiens (Human))		BDBM50269535
PNG
((11Z,14Z,17Z)-Eicosa-11,14,17-trienoic acid | (11Z...)
Show SMILES CC\C=C/C\C=C/C\C=C/CCCCCCCCCC(O)=O
Show InChI InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10H,2,5,8,11-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-
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n/an/a 2.00E+3n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at human OXE receptor fused with G-alphai assessed as inhibition of 5-oxo-ETE-induced GTPgammaS binding after 60 mins by liquid s...

J Med Chem 57: 364-77 (2014)


Article DOI: 10.1021/jm401292m
BindingDB Entry DOI: 10.7270/Q2N87C82
More data for this
Ligand-Target Pair
Oxoeicosanoid receptor 1


(Homo sapiens (Human))		BDBM50269534
PNG
((8Z,11Z,14Z)-Icosatrienoic acid | (8Z,11Z,14Z)-ico...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(O)=O
Show InChI InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13H,2-5,8,11,14-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-
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n/an/a 2.00E+3n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at human OXE receptor fused with G-alphai assessed as inhibition of 5-oxo-ETE-induced GTPgammaS binding after 60 mins by liquid s...

J Med Chem 57: 364-77 (2014)


Article DOI: 10.1021/jm401292m
BindingDB Entry DOI: 10.7270/Q2N87C82
More data for this
Ligand-Target Pair
Oxoeicosanoid receptor 1


(Homo sapiens (Human))		BDBM50446974
PNG
(CHEMBL3115795)
Show SMILES CCCCCc1cc2ccccc2n1C(=O)CCCC(O)=O
Show InChI InChI=1S/C18H23NO3/c1-2-3-4-9-15-13-14-8-5-6-10-16(14)19(15)17(20)11-7-12-18(21)22/h5-6,8,10,13H,2-4,7,9,11-12H2,1H3,(H,21,22)
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n/an/a 2.15E+3n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at OXE receptor (unknown origin) expressed in indo-1 loaded neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobil...

J Med Chem 57: 364-77 (2014)


Article DOI: 10.1021/jm401292m
BindingDB Entry DOI: 10.7270/Q2N87C82
More data for this
Ligand-Target Pair
Oxoeicosanoid receptor 1


(Homo sapiens (Human))		BDBM50446953
PNG
(CHEMBL3115774)
Show SMILES CCCCCCc1cc2ccc(Cl)cc2n1C(=O)CC(C)CC(O)=O
Show InChI InChI=1S/C20H26ClNO3/c1-3-4-5-6-7-17-12-15-8-9-16(21)13-18(15)22(17)19(23)10-14(2)11-20(24)25/h8-9,12-14H,3-7,10-11H2,1-2H3,(H,24,25)
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n/an/a 2.17E+3n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at OXE receptor (unknown origin) expressed in indo-1 loaded neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobil...

J Med Chem 57: 364-77 (2014)


Article DOI: 10.1021/jm401292m
BindingDB Entry DOI: 10.7270/Q2N87C82
More data for this
Ligand-Target Pair
Oxoeicosanoid receptor 1


(Homo sapiens (Human))		BDBM50446953
PNG
(CHEMBL3115774)
Show SMILES CCCCCCc1cc2ccc(Cl)cc2n1C(=O)CC(C)CC(O)=O
Show InChI InChI=1S/C20H26ClNO3/c1-3-4-5-6-7-17-12-15-8-9-16(21)13-18(15)22(17)19(23)10-14(2)11-20(24)25/h8-9,12-14H,3-7,10-11H2,1-2H3,(H,24,25)
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n/an/a 2.18E+3n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at OXE receptor (unknown origin) expressed in indo-1 loaded neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobil...

J Med Chem 57: 364-77 (2014)


Article DOI: 10.1021/jm401292m
BindingDB Entry DOI: 10.7270/Q2N87C82
More data for this
Ligand-Target Pair
Oxoeicosanoid receptor 1


(Homo sapiens (Human))		BDBM50446976
PNG
(CHEMBL3115777 | CHEMBL3115778)
Show SMILES CCCCC\C=C/C[C@H](O)\C=C\C=CC=CC(=O)CCCC(O)=O |r,w:15.15,13.13|
Show InChI InChI=1S/C20H30O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18,21H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7?,9-6-,14-10+,15-11?/t18-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at OXE receptor in human neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobilization by spectrofluorometric anal...

J Med Chem 57: 364-77 (2014)


Article DOI: 10.1021/jm401292m
BindingDB Entry DOI: 10.7270/Q2N87C82
More data for this
Ligand-Target Pair
Oxoeicosanoid receptor 1


(Homo sapiens (Human))		BDBM50446952
PNG
(CHEMBL3115775)
Show SMILES CCCCCCc1c(C(=O)CC(C)CC(O)=O)c2cc(Cl)ccc2n1C
Show InChI InChI=1S/C21H28ClNO3/c1-4-5-6-7-8-18-21(19(24)11-14(2)12-20(25)26)16-13-15(22)9-10-17(16)23(18)3/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,25,26)
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n/an/a 2.73E+3n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at OXE receptor (unknown origin) expressed in indo-1 loaded neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobil...

J Med Chem 57: 364-77 (2014)


Article DOI: 10.1021/jm401292m
BindingDB Entry DOI: 10.7270/Q2N87C82
More data for this
Ligand-Target Pair
Oxoeicosanoid receptor 1


(Homo sapiens (Human))		BDBM50446952
PNG
(CHEMBL3115775)
Show SMILES CCCCCCc1c(C(=O)CC(C)CC(O)=O)c2cc(Cl)ccc2n1C
Show InChI InChI=1S/C21H28ClNO3/c1-4-5-6-7-8-18-21(19(24)11-14(2)12-20(25)26)16-13-15(22)9-10-17(16)23(18)3/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,25,26)
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n/an/a 2.73E+3n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at OXE receptor (unknown origin) expressed in indo-1 loaded neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobil...

J Med Chem 57: 364-77 (2014)


Article DOI: 10.1021/jm401292m
BindingDB Entry DOI: 10.7270/Q2N87C82
More data for this
Ligand-Target Pair
Oxoeicosanoid receptor 1


(Homo sapiens (Human))		BDBM50446973
PNG
(CHEMBL3115796)
Show SMILES CCCC\C=C\c1cc2ccccc2n1C(=O)CCCC(O)=O
Show InChI InChI=1S/C19H23NO3/c1-2-3-4-5-10-16-14-15-9-6-7-11-17(15)20(16)18(21)12-8-13-19(22)23/h5-7,9-11,14H,2-4,8,12-13H2,1H3,(H,22,23)/b10-5+
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n/an/a 4.03E+3n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at OXE receptor (unknown origin) expressed in indo-1 loaded neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobil...

J Med Chem 57: 364-77 (2014)


Article DOI: 10.1021/jm401292m
BindingDB Entry DOI: 10.7270/Q2N87C82
More data for this
Ligand-Target Pair
Oxoeicosanoid receptor 1


(Homo sapiens (Human))		BDBM50446958
PNG
(CHEMBL3115789)
Show SMILES CCCCCCc1c(C(=O)CCCC(O)=O)c2ccccc2n1C
Show InChI InChI=1S/C20H27NO3/c1-3-4-5-6-12-17-20(18(22)13-9-14-19(23)24)15-10-7-8-11-16(15)21(17)2/h7-8,10-11H,3-6,9,12-14H2,1-2H3,(H,23,24)
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n/an/a 6.06E+3n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at OXE receptor (unknown origin) expressed in indo-1 loaded neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobil...

J Med Chem 57: 364-77 (2014)


Article DOI: 10.1021/jm401292m
BindingDB Entry DOI: 10.7270/Q2N87C82
More data for this
Ligand-Target Pair
Oxoeicosanoid receptor 1


(Homo sapiens (Human))		BDBM50446959
PNG
(CHEMBL3115788)
Show SMILES CCCCCCc1[nH]c2ccccc2c1C(=O)CCCC(O)=O
Show InChI InChI=1S/C19H25NO3/c1-2-3-4-5-11-16-19(17(21)12-8-13-18(22)23)14-9-6-7-10-15(14)20-16/h6-7,9-10,20H,2-5,8,11-13H2,1H3,(H,22,23)
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n/an/a 9.75E+3n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at OXE receptor (unknown origin) expressed in indo-1 loaded neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobil...

J Med Chem 57: 364-77 (2014)


Article DOI: 10.1021/jm401292m
BindingDB Entry DOI: 10.7270/Q2N87C82
More data for this
Ligand-Target Pair
Oxoeicosanoid receptor 1


(Homo sapiens (Human))		BDBM50446966
PNG
(CHEMBL3115781)
Show SMILES CCCCCCc1cc2ccccc2n1C(=O)CC(C)(C)CC(O)=O
Show InChI InChI=1S/C21H29NO3/c1-4-5-6-7-11-17-13-16-10-8-9-12-18(16)22(17)19(23)14-21(2,3)15-20(24)25/h8-10,12-13H,4-7,11,14-15H2,1-3H3,(H,24,25)
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n/an/a 1.10E+4n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at OXE receptor (unknown origin) expressed in indo-1 loaded neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobil...

J Med Chem 57: 364-77 (2014)


Article DOI: 10.1021/jm401292m
BindingDB Entry DOI: 10.7270/Q2N87C82
More data for this
Ligand-Target Pair
Oxoeicosanoid receptor 1


(Homo sapiens (Human))		BDBM50446975
PNG
(CHEMBL3115794)
Show SMILES CCCCc1cc2ccccc2n1C(=O)CCCC(O)=O
Show InChI InChI=1S/C17H21NO3/c1-2-3-8-14-12-13-7-4-5-9-15(13)18(14)16(19)10-6-11-17(20)21/h4-5,7,9,12H,2-3,6,8,10-11H2,1H3,(H,20,21)
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n/an/a 1.37E+4n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at OXE receptor (unknown origin) expressed in indo-1 loaded neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobil...

J Med Chem 57: 364-77 (2014)


Article DOI: 10.1021/jm401292m
BindingDB Entry DOI: 10.7270/Q2N87C82
More data for this
Ligand-Target Pair
Oxoeicosanoid receptor 1


(Homo sapiens (Human))		BDBM50431185
PNG
(CHEMBL2332566)
Show SMILES OC(=O)CCCC(=O)n1ccc2ccccc12
Show InChI InChI=1S/C13H13NO3/c15-12(6-3-7-13(16)17)14-9-8-10-4-1-2-5-11(10)14/h1-2,4-5,8-9H,3,6-7H2,(H,16,17)
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n/an/a>3.00E+4n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at OXE receptor (unknown origin) expressed in indo-1 loaded neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobil...

J Med Chem 57: 364-77 (2014)


Article DOI: 10.1021/jm401292m
BindingDB Entry DOI: 10.7270/Q2N87C82
More data for this
Ligand-Target Pair
Oxoeicosanoid receptor 1


(Homo sapiens (Human))		BDBM50446968
PNG
(CHEMBL3115779)
Show SMILES CCCCCCc1cc2ccccc2n1C(=O)CCC(O)=O
Show InChI InChI=1S/C18H23NO3/c1-2-3-4-5-9-15-13-14-8-6-7-10-16(14)19(15)17(20)11-12-18(21)22/h6-8,10,13H,2-5,9,11-12H2,1H3,(H,21,22)
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n/an/a>3.00E+4n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at OXE receptor (unknown origin) expressed in indo-1 loaded neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobil...

J Med Chem 57: 364-77 (2014)


Article DOI: 10.1021/jm401292m
BindingDB Entry DOI: 10.7270/Q2N87C82
More data for this
Ligand-Target Pair
Oxoeicosanoid receptor 1


(Homo sapiens (Human))		BDBM50446978
PNG
(CHEMBL3115773)
Show SMILES CCCCCCc1nc2ccccc2cc1C(=O)CCCC(O)=O
Show InChI InChI=1S/C20H25NO3/c1-2-3-4-5-11-18-16(19(22)12-8-13-20(23)24)14-15-9-6-7-10-17(15)21-18/h6-7,9-10,14H,2-5,8,11-13H2,1H3,(H,23,24)
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n/an/a>3.00E+4n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at OXE receptor (unknown origin) expressed in indo-1 loaded neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobil...

J Med Chem 57: 364-77 (2014)


Article DOI: 10.1021/jm401292m
BindingDB Entry DOI: 10.7270/Q2N87C82
More data for this
Ligand-Target Pair