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PubMed code 28943042

Compile data set for download or QSAR
Found 12 hits of Enzyme Inhibition Constant Data   
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))		BDBM50054793
PNG
(CHEMBL3341972)
Show SMILES CCCCCCc1c(C(=O)C[C@H](C)CC(O)=O)c2cc(Cl)ccc2n1C |r|
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)/t14-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Claude Pepper Institute and Department of Chemistry, Florida Institute of Technology, 150 West University Boulevard, Melbourne, FL 32901, USA.

Curated by ChEMBL


Assay Description
Antagonist activity at OXE receptor in human neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobilization incubated for 2 mins follow...

Bioorg Med Chem Lett 27: 4770-4776 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.034
BindingDB Entry DOI: 10.7270/Q2W098DS
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 16n/an/an/an/an/an/a



Claude Pepper Institute and Department of Chemistry, Florida Institute of Technology, 150 West University Boulevard, Melbourne, FL 32901, USA.

Curated by ChEMBL


Assay Description
Antagonist activity at OXE receptor in human neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobilization incubated for 2 mins follow...

Bioorg Med Chem Lett 27: 4770-4776 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.034
BindingDB Entry DOI: 10.7270/Q2W098DS
More data for this
Ligand-Target Pair
Oxoeicosanoid receptor 1


(Homo sapiens (Human))		BDBM50262197
PNG
(CHEMBL4084871)
Show SMILES CCCCCCCCCCCc1c(C(=O)CC(C)CC(O)=O)c2cc(Cl)ccc2n1C
Show InChI InChI=1S/C26H38ClNO3/c1-4-5-6-7-8-9-10-11-12-13-23-26(24(29)16-19(2)17-25(30)31)21-18-20(27)14-15-22(21)28(23)3/h14-15,18-19H,4-13,16-17H2,1-3H3,(H,30,31)
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n/an/a 23n/an/an/an/an/an/a



Claude Pepper Institute and Department of Chemistry, Florida Institute of Technology, 150 West University Boulevard, Melbourne, FL 32901, USA.

Curated by ChEMBL


Assay Description
Antagonist activity at OXE receptor in human neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobilization incubated for 2 mins follow...

Bioorg Med Chem Lett 27: 4770-4776 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.034
BindingDB Entry DOI: 10.7270/Q2W098DS
More data for this
Ligand-Target Pair
Oxoeicosanoid receptor 1


(Homo sapiens (Human))		BDBM50262236
PNG
(CHEMBL4081391)
Show SMILES CCCCCCc1c(C(=O)CC2(CC(O)=O)CC2)c2cc(Cl)ccc2n1C
Show InChI InChI=1S/C22H28ClNO3/c1-3-4-5-6-7-18-21(16-12-15(23)8-9-17(16)24(18)2)19(25)13-22(10-11-22)14-20(26)27/h8-9,12H,3-7,10-11,13-14H2,1-2H3,(H,26,27)
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n/an/a 580n/an/an/an/an/an/a



Claude Pepper Institute and Department of Chemistry, Florida Institute of Technology, 150 West University Boulevard, Melbourne, FL 32901, USA.

Curated by ChEMBL


Assay Description
Antagonist activity at OXE receptor in human neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobilization incubated for 2 mins follow...

Bioorg Med Chem Lett 27: 4770-4776 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.034
BindingDB Entry DOI: 10.7270/Q2W098DS
More data for this
Ligand-Target Pair
Oxoeicosanoid receptor 1


(Homo sapiens (Human))		BDBM50262199
PNG
(CHEMBL4091674)
Show SMILES CCCCCCc1c(C(=O)CC2(CC(O)=O)CCC2)c2cc(Cl)ccc2n1C
Show InChI InChI=1S/C23H30ClNO3/c1-3-4-5-6-8-19-22(17-13-16(24)9-10-18(17)25(19)2)20(26)14-23(11-7-12-23)15-21(27)28/h9-10,13H,3-8,11-12,14-15H2,1-2H3,(H,27,28)
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n/an/a 720n/an/an/an/an/an/a



Claude Pepper Institute and Department of Chemistry, Florida Institute of Technology, 150 West University Boulevard, Melbourne, FL 32901, USA.

Curated by ChEMBL


Assay Description
Antagonist activity at OXE receptor in human neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobilization incubated for 2 mins follow...

Bioorg Med Chem Lett 27: 4770-4776 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.034
BindingDB Entry DOI: 10.7270/Q2W098DS
More data for this
Ligand-Target Pair
Oxoeicosanoid receptor 1


(Homo sapiens (Human))		BDBM50262237
PNG
(CHEMBL4070005)
Show SMILES CCCCCCc1c(C(=O)c2cccc(c2)C(O)=O)c2cc(Cl)ccc2n1C
Show InChI InChI=1S/C23H24ClNO3/c1-3-4-5-6-10-20-21(18-14-17(24)11-12-19(18)25(20)2)22(26)15-8-7-9-16(13-15)23(27)28/h7-9,11-14H,3-6,10H2,1-2H3,(H,27,28)
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n/an/a 1.12E+3n/an/an/an/an/an/a



Claude Pepper Institute and Department of Chemistry, Florida Institute of Technology, 150 West University Boulevard, Melbourne, FL 32901, USA.

Curated by ChEMBL


Assay Description
Antagonist activity at OXE receptor in human neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobilization incubated for 2 mins follow...

Bioorg Med Chem Lett 27: 4770-4776 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.034
BindingDB Entry DOI: 10.7270/Q2W098DS
More data for this
Ligand-Target Pair
Oxoeicosanoid receptor 1


(Homo sapiens (Human))		BDBM50262200
PNG
(CHEMBL4070795)
Show SMILES CCCCCCc1c(C(=O)CC(C)(C)CC(O)=O)c2cc(Cl)ccc2n1C
Show InChI InChI=1S/C22H30ClNO3/c1-5-6-7-8-9-18-21(19(25)13-22(2,3)14-20(26)27)16-12-15(23)10-11-17(16)24(18)4/h10-12H,5-9,13-14H2,1-4H3,(H,26,27)
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n/an/a 1.33E+3n/an/an/an/an/an/a



Claude Pepper Institute and Department of Chemistry, Florida Institute of Technology, 150 West University Boulevard, Melbourne, FL 32901, USA.

Curated by ChEMBL


Assay Description
Antagonist activity at OXE receptor in human neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobilization incubated for 2 mins follow...

Bioorg Med Chem Lett 27: 4770-4776 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.034
BindingDB Entry DOI: 10.7270/Q2W098DS
More data for this
Ligand-Target Pair
Oxoeicosanoid receptor 1


(Homo sapiens (Human))		BDBM50262201
PNG
(CHEMBL4090987)
Show SMILES CCCCCCc1c(C(=O)c2ccc(cc2)C(O)=O)c2cc(Cl)ccc2n1C
Show InChI InChI=1S/C23H24ClNO3/c1-3-4-5-6-7-20-21(18-14-17(24)12-13-19(18)25(20)2)22(26)15-8-10-16(11-9-15)23(27)28/h8-14H,3-7H2,1-2H3,(H,27,28)
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n/an/a 1.36E+3n/an/an/an/an/an/a



Claude Pepper Institute and Department of Chemistry, Florida Institute of Technology, 150 West University Boulevard, Melbourne, FL 32901, USA.

Curated by ChEMBL


Assay Description
Antagonist activity at OXE receptor in human neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobilization incubated for 2 mins follow...

Bioorg Med Chem Lett 27: 4770-4776 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.034
BindingDB Entry DOI: 10.7270/Q2W098DS
More data for this
Ligand-Target Pair
Oxoeicosanoid receptor 1


(Homo sapiens (Human))		BDBM50054794
PNG
(CHEMBL3341971)
Show SMILES CCCCCCc1c(C(=O)C[C@@H](C)CC(O)=O)c2cc(Cl)ccc2n1C |r|
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)/t14-/m1/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



Claude Pepper Institute and Department of Chemistry, Florida Institute of Technology, 150 West University Boulevard, Melbourne, FL 32901, USA.

Curated by ChEMBL


Assay Description
Antagonist activity at OXE receptor in human neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobilization incubated for 2 mins follow...

Bioorg Med Chem Lett 27: 4770-4776 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.034
BindingDB Entry DOI: 10.7270/Q2W098DS
More data for this
Ligand-Target Pair
Oxoeicosanoid receptor 1


(Homo sapiens (Human))		BDBM50262234
PNG
(CHEMBL4096962)
Show SMILES CCCCCCc1c(C(=O)CCC(C)(C)C(O)=O)c2cc(Cl)ccc2n1C
Show InChI InChI=1S/C22H30ClNO3/c1-5-6-7-8-9-18-20(19(25)12-13-22(2,3)21(26)27)16-14-15(23)10-11-17(16)24(18)4/h10-11,14H,5-9,12-13H2,1-4H3,(H,26,27)
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n/an/a 4.06E+3n/an/an/an/an/an/a



Claude Pepper Institute and Department of Chemistry, Florida Institute of Technology, 150 West University Boulevard, Melbourne, FL 32901, USA.

Curated by ChEMBL


Assay Description
Antagonist activity at OXE receptor in human neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobilization incubated for 2 mins follow...

Bioorg Med Chem Lett 27: 4770-4776 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.034
BindingDB Entry DOI: 10.7270/Q2W098DS
More data for this
Ligand-Target Pair
Oxoeicosanoid receptor 1


(Homo sapiens (Human))		BDBM50262232
PNG
(CHEMBL4096265)
Show SMILES CCCCCCc1c(C(=O)COCC(O)=O)c2cc(Cl)ccc2n1C
Show InChI InChI=1S/C19H24ClNO4/c1-3-4-5-6-7-16-19(17(22)11-25-12-18(23)24)14-10-13(20)8-9-15(14)21(16)2/h8-10H,3-7,11-12H2,1-2H3,(H,23,24)
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n/an/a 5.50E+3n/an/an/an/an/an/a



Claude Pepper Institute and Department of Chemistry, Florida Institute of Technology, 150 West University Boulevard, Melbourne, FL 32901, USA.

Curated by ChEMBL


Assay Description
Antagonist activity at OXE receptor in human neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobilization incubated for 2 mins follow...

Bioorg Med Chem Lett 27: 4770-4776 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.034
BindingDB Entry DOI: 10.7270/Q2W098DS
More data for this
Ligand-Target Pair
Oxoeicosanoid receptor 1


(Homo sapiens (Human))		BDBM50262198
PNG
(CHEMBL4069768)
Show SMILES CCCCCCc1c(C(=O)C(C)(C)CCC(O)=O)c2cc(Cl)ccc2n1C
Show InChI InChI=1S/C22H30ClNO3/c1-5-6-7-8-9-18-20(21(27)22(2,3)13-12-19(25)26)16-14-15(23)10-11-17(16)24(18)4/h10-11,14H,5-9,12-13H2,1-4H3,(H,25,26)
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n/an/a 8.15E+3n/an/an/an/an/an/a



Claude Pepper Institute and Department of Chemistry, Florida Institute of Technology, 150 West University Boulevard, Melbourne, FL 32901, USA.

Curated by ChEMBL


Assay Description
Antagonist activity at OXE receptor in human neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobilization incubated for 2 mins follow...

Bioorg Med Chem Lett 27: 4770-4776 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.034
BindingDB Entry DOI: 10.7270/Q2W098DS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%