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Compile Data Set for Download or QSAR

Found 157 hits with Last Name = 'cerqua' and Initial = 'i'   
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
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576500
PNG
(CHEMBL4847874)
Show SMILES [#6]\[#6](-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#6]-[#6]-c2c(-[#6])c(-[#8])c(-[#6])c(-[#6])c2-[#8]1 |r|
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TBA

Assay Description
Inhibition of 5-LOX in human PMNL assessed as reduction in 5-LOX product formation preincubated for 10 mins before addition of AA and A23187 and meas...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576500
PNG
(CHEMBL4847874)
Show SMILES [#6]\[#6](-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#6]-[#6]-c2c(-[#6])c(-[#8])c(-[#6])c(-[#6])c2-[#8]1 |r|
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TBA

Assay Description
Inhibition of 5-LOX in human PMNL assessed as reduction in 5-LOX product formation preincubated for 10 mins before addition of A23187 and measured af...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576502
PNG
(CHEMBL3092679)
Show SMILES [#6]\[#6](-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#6]-[#6]-c2cc(-[#8])c(-[#6])c(-[#6])c2-[#8]1 |r|
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TBA

Assay Description
Inhibition of 5-LOX in human PMNL assessed as reduction in 5-LOX product formation preincubated for 10 mins before addition of AA and A23187 and meas...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50527521
PNG
(CHEMBL4463788)
Show SMILES C\C(CC\C=C(/C)C(O)=O)=C/CC\C(C)=C\CC[C@]1(C)CCc2cc(O)cc(C)c2O1 |r|
Show InChI InChI=1S/C27H38O4/c1-19(11-7-13-21(3)26(29)30)9-6-10-20(2)12-8-15-27(5)16-14-23-18-24(28)17-22(4)25(23)31-27/h9,12-13,17-18,28H,6-8,10-11,14-16H2,1-5H3,(H,29,30)/b19-9+,20-12+,21-13+/t27-/m1/s1
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TBA

Assay Description
Inhibition of recombinant human 5-LOX expressed in Escherichia coli BL21 (DE3) cells preincubated for 10 mins followed by arachidonic acid addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50591532
PNG
(CHEMBL4590950)
Show SMILES Fc1ccc(CN2CCc3cc(NC(=O)NC4CCCCC4)ccc23)cc1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00817
BindingDB Entry DOI: 10.7270/Q2GT5S5W
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576496
PNG
(CHEMBL4876438)
Show SMILES CN(C)Cc1c(O)cc(C)c2O[C@](C)(CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C(O)=O)CCc12 |r|
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TBA

Assay Description
Inhibition of recombinant human 5-LOX expressed in Escherichia coli BL21 (DE3) cells preincubated for 10 mins followed by arachidonic acid addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576481
PNG
(CHEMBL2151600)
Show SMILES CC(CCCC(C)CCC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1)CCCC(C)C(O)=O |r|
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TBA

Assay Description
Inhibition of 5-LOX in human PMNL assessed as reduction in 5-LOX product formation preincubated for 10 mins before addition of AA and A23187 and meas...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576507
PNG
(CHEMBL4856987)
Show SMILES [#6]\[#6](-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#6]-[#6]-c2cc(-[#8]-[#6](=O)-[#6]-[#6]-[#6](-[#8])=O)cc(-[#6])c2-[#8]1 |r|
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TBA

Assay Description
Inhibition of recombinant human 5-LOX expressed in Escherichia coli BL21 (DE3) cells preincubated for 10 mins followed by arachidonic acid addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576501
PNG
(CHEMBL4865488)
Show SMILES [#6]\[#6](-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#6]-[#6]-c2c(-[#6])c(-[#8])cc(-[#6])c2-[#8]1 |r|
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TBA

Assay Description
Inhibition of recombinant human 5-LOX expressed in Escherichia coli BL21 (DE3) cells preincubated for 10 mins followed by arachidonic acid addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576522
PNG
(CHEMBL4849927)
Show SMILES COc1ccc(cc1OC)C1OCC(CO1)=CCC\C(C)=C\CC\C(C)=C\CC[C@]1(C)CCc2c(C)c(O)c(CO)c(C)c2O1 |r|
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TBA

Assay Description
Inhibition of recombinant human 5-LOX expressed in Escherichia coli BL21 (DE3) cells preincubated for 10 mins followed by arachidonic acid addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576501
PNG
(CHEMBL4865488)
Show SMILES [#6]\[#6](-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#6]-[#6]-c2c(-[#6])c(-[#8])cc(-[#6])c2-[#8]1 |r|
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TBA

Assay Description
Inhibition of 5-LOX in human PMNL assessed as reduction in 5-LOX product formation preincubated for 10 mins before addition of AA and A23187 and meas...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50591533
PNG
(CHEMBL4449485)
Show SMILES CC(C)(C)CNC(=O)Nc1ccc2N(Cc3ccc(F)cc3)CCc2c1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00817
BindingDB Entry DOI: 10.7270/Q2GT5S5W
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576514
PNG
(CHEMBL4868153)
Show SMILES [#6]\[#6](-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#6]-[#6]-c2c(-[#6]-[#7]-3-[#6]-[#6]-[#6]-[#6]-[#6]-3)c(-[#8])cc(-[#6])c2-[#8]1 |r|
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TBA

Assay Description
Inhibition of recombinant human 5-LOX expressed in Escherichia coli BL21 (DE3) cells preincubated for 10 mins followed by arachidonic acid addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576512
PNG
(CHEMBL4872620)
Show SMILES [#6]-[#7](-[#6])-[#6]-c1c(-[#8])cc(-[#6])c2-[#8][C@]([#6])([#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8])[#6]-[#6]-c12 |r|
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TBA

Assay Description
Inhibition of recombinant human 5-LOX expressed in Escherichia coli BL21 (DE3) cells preincubated for 10 mins followed by arachidonic acid addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576500
PNG
(CHEMBL4847874)
Show SMILES [#6]\[#6](-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#6]-[#6]-c2c(-[#6])c(-[#8])c(-[#6])c(-[#6])c2-[#8]1 |r|
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TBA

Assay Description
Inhibition of recombinant human 5-LOX expressed in Escherichia coli BL21 (DE3) cells preincubated for 10 mins followed by arachidonic acid addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576502
PNG
(CHEMBL3092679)
Show SMILES [#6]\[#6](-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#6]-[#6]-c2cc(-[#8])c(-[#6])c(-[#6])c2-[#8]1 |r|
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TBA

Assay Description
Inhibition of recombinant human 5-LOX expressed in Escherichia coli BL21 (DE3) cells preincubated for 10 mins followed by arachidonic acid addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576513
PNG
(CHEMBL4869687)
Show SMILES [#6]\[#6](-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#6]-[#6]-c2c(-[#6]-[#7]-3-[#6]-[#6]-[#8]-[#6]-[#6]-3)c(-[#8])cc(-[#6])c2-[#8]1 |r|
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TBA

Assay Description
Inhibition of recombinant human 5-LOX expressed in Escherichia coli BL21 (DE3) cells preincubated for 10 mins followed by arachidonic acid addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50555730
PNG
(CHEMBL4747347)
Show SMILES C\C(CC\C=C(/C)C(O)=O)=C/CC\C(C)=C\CC[C@]1(C)CCc2c(C)c(O)cc(C)c2O1 |r|
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Assay Description
Inhibition of recombinant human 5-LOX expressed in Escherichia coli BL21 (DE3) cells preincubated for 10 mins followed by arachidonic acid addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576503
PNG
(CHEMBL3092680)
Show SMILES [#6]\[#6](-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#6]-[#6]-c2cc(-[#8])cc(-[#6])c2-[#8]1 |r|
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Assay Description
Inhibition of recombinant human 5-LOX expressed in Escherichia coli BL21 (DE3) cells preincubated for 10 mins followed by arachidonic acid addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50591535
PNG
(CHEMBL5185907)
Show SMILES Fc1ccc(CN2CCc3cc(NC(=S)Nc4ccccc4)ccc23)cc1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00817
BindingDB Entry DOI: 10.7270/Q2GT5S5W
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576511
PNG
(CHEMBL4852521)
Show SMILES [#6]\[#6](-[#6]-[#6]\[#6]=[#6](/[#6]-[#8])-[#6]-[#8])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#6]-[#6]-c2c(-[#6]-[#7]-3-[#6]-[#6]-[#6]-[#6]-3)c(-[#8])cc(-[#6])c2-[#8]1 |r|
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Assay Description
Inhibition of recombinant human 5-LOX expressed in Escherichia coli BL21 (DE3) cells preincubated for 10 mins followed by arachidonic acid addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576510
PNG
(CHEMBL4856621)
Show SMILES [#6]\[#6](-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#6]-[#6]-c2c(-[#8]1)c(-[#6])cc(-[#8])c2-[#6]=O |r|
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Assay Description
Inhibition of recombinant human 5-LOX expressed in Escherichia coli BL21 (DE3) cells preincubated for 10 mins followed by arachidonic acid addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576509
PNG
(CHEMBL4863843)
Show SMILES [#6]\[#6](-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#6]-[#6]-c2c(-[#6])c(-[#8])c(-[#6]=O)c(-[#6])c2-[#8]1 |r|
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Assay Description
Inhibition of recombinant human 5-LOX expressed in Escherichia coli BL21 (DE3) cells preincubated for 10 mins followed by arachidonic acid addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576504
PNG
(CHEMBL4860001)
Show SMILES [#6]\[#6](-[#6]-[#6]\[#6]=[#6](/[#6]-[#8])-[#6]-[#8])=[#6]/[#6]-[#6][C@]1([#6])[#6]-[#6]-c2cc(-[#8])cc(-[#6])c2-[#8]1 |r|
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TBA

Assay Description
Inhibition of recombinant human 5-LOX expressed in Escherichia coli BL21 (DE3) cells preincubated for 10 mins followed by arachidonic acid addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576494
PNG
(CHEMBL4866333)
Show SMILES COC(=O)C(C)CCC\C(C)=C\CC\C(C)=C\CC[C@]1(C)CCc2cc(O)cc(C)c2O1 |r|
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Assay Description
Inhibition of recombinant human 5-LOX expressed in Escherichia coli BL21 (DE3) cells preincubated for 10 mins followed by arachidonic acid addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576492
PNG
(CHEMBL4853392)
Show SMILES CC(CCC\C(C)=C\CC\C(C)=C\CC[C@]1(C)CCc2cc(O)cc(C)c2O1)C(O)=O |r|
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Assay Description
Inhibition of recombinant human 5-LOX expressed in Escherichia coli BL21 (DE3) cells preincubated for 10 mins followed by arachidonic acid addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576484
PNG
(CHEMBL4858254)
Show SMILES C\C(CC\C=C(\C)C(O)=O)=C/CC\C(C)=C\CC[C@]1(C)CCc2cc(O)c(C)c(C)c2O1 |r|
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Assay Description
Inhibition of recombinant human 5-LOX expressed in Escherichia coli BL21 (DE3) cells preincubated for 10 mins followed by arachidonic acid addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50591533
PNG
(CHEMBL4449485)
Show SMILES CC(C)(C)CNC(=O)Nc1ccc2N(Cc3ccc(F)cc3)CCc2c1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00817
BindingDB Entry DOI: 10.7270/Q2GT5S5W
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576518
PNG
(CHEMBL4848638)
Show SMILES [#6]\[#6](-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#6]-[#6]-c2c(-[#8]1)c(-[#6])cc1oc(=O)c(cc21)-[#6](-[#6])=O |r|
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Assay Description
Inhibition of recombinant human 5-LOX expressed in Escherichia coli BL21 (DE3) cells preincubated for 10 mins followed by arachidonic acid addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576520
PNG
(CHEMBL4859499)
Show SMILES COc1ccc(cc1OC)C1OCC(CO1)=CCC\C(C)=C\CC\C(C)=C\CC[C@]1(C)CCc2cc(O)cc(C)c2O1 |r|
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Assay Description
Inhibition of recombinant human 5-LOX expressed in Escherichia coli BL21 (DE3) cells preincubated for 10 mins followed by arachidonic acid addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576524
PNG
(CHEMBL4875395)
Show SMILES C\C(CC\C=C(/C)CCC=C1COC(OC1)c1ccc(cc1)[N+]([O-])=O)=C/CC[C@]1(C)CCc2c(CO)c(O)cc(C)c2O1 |r|
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Assay Description
Inhibition of recombinant human 5-LOX expressed in Escherichia coli BL21 (DE3) cells preincubated for 10 mins followed by arachidonic acid addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576481
PNG
(CHEMBL2151600)
Show SMILES CC(CCCC(C)CCC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1)CCCC(C)C(O)=O |r|
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Assay Description
Inhibition of recombinant human 5-LOX expressed in Escherichia coli BL21 (DE3) cells preincubated for 10 mins followed by arachidonic acid addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50591532
PNG
(CHEMBL4590950)
Show SMILES Fc1ccc(CN2CCc3cc(NC(=O)NC4CCCCC4)ccc23)cc1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00817
BindingDB Entry DOI: 10.7270/Q2GT5S5W
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576483
PNG
(CHEMBL4869499)
Show SMILES C\C(CC\C=C(/C)C(O)=O)=C/CC\C(C)=C\CC[C@]1(C)CCc2cc(O)c(C)c(C)c2O1 |r|
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Assay Description
Inhibition of recombinant human 5-LOX expressed in Escherichia coli BL21 (DE3) cells preincubated for 10 mins followed by arachidonic acid addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50555730
PNG
(CHEMBL4747347)
Show SMILES C\C(CC\C=C(/C)C(O)=O)=C/CC\C(C)=C\CC[C@]1(C)CCc2c(C)c(O)cc(C)c2O1 |r|
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Assay Description
Inhibition of 5-LOX in human PMNL assessed as reduction in 5-LOX product formation preincubated for 10 mins before addition of AA and A23187 and meas...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576515
PNG
(CHEMBL4858051)
Show SMILES [#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-c2c(-[#8])cc(-[#6])c3-[#8][C@]([#6])([#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8])[#6]-[#6]-c23)-[#6]-[#6]-1 |r|
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Assay Description
Inhibition of recombinant human 5-LOX expressed in Escherichia coli BL21 (DE3) cells preincubated for 10 mins followed by arachidonic acid addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50527521
PNG
(CHEMBL4463788)
Show SMILES C\C(CC\C=C(/C)C(O)=O)=C/CC\C(C)=C\CC[C@]1(C)CCc2cc(O)cc(C)c2O1 |r|
Show InChI InChI=1S/C27H38O4/c1-19(11-7-13-21(3)26(29)30)9-6-10-20(2)12-8-15-27(5)16-14-23-18-24(28)17-22(4)25(23)31-27/h9,12-13,17-18,28H,6-8,10-11,14-16H2,1-5H3,(H,29,30)/b19-9+,20-12+,21-13+/t27-/m1/s1
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TBA

Assay Description
Inhibition of 5-LOX in human PMNL assessed as reduction in 5-LOX product formation preincubated for 10 mins before addition of AA and A23187 and meas...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50591524
PNG
(CHEMBL5202375)
Show SMILES CC(C)(C)CNC(=S)Nc1ccc2N(CCc3ccc(F)cc3)CCc2c1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00817
BindingDB Entry DOI: 10.7270/Q2GT5S5W
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576506
PNG
(CHEMBL4876100)
Show SMILES [#6]\[#6](-[#6]-[#6]-[#6](-[#8])C([#6])([#8])[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8])=[#6]/[#6]-[#6][C@]1([#6])[#6]-[#6]-c2cc(-[#8])cc(-[#6])c2-[#8]1 |r|
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Assay Description
Inhibition of recombinant human 5-LOX expressed in Escherichia coli BL21 (DE3) cells preincubated for 10 mins followed by arachidonic acid addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576522
PNG
(CHEMBL4849927)
Show SMILES COc1ccc(cc1OC)C1OCC(CO1)=CCC\C(C)=C\CC\C(C)=C\CC[C@]1(C)CCc2c(C)c(O)c(CO)c(C)c2O1 |r|
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Assay Description
Inhibition of 5-LOX in human PMNL assessed as reduction in 5-LOX product formation preincubated for 10 mins before addition of AA and A23187 and meas...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50555729
PNG
(CHEMBL4761835)
Show SMILES C\C(CC\C=C(/C)C(O)=O)=C/CC\C(C)=C\CC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 |r|
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Assay Description
Inhibition of recombinant human 5-LOX expressed in Escherichia coli BL21 (DE3) cells preincubated for 10 mins followed by arachidonic acid addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50591539
PNG
(CHEMBL5170803)
Show SMILES CC(C)(C)CNC(=S)Nc1ccc2N(Cc3ccc(cc3)N=O)CCc2c1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00817
BindingDB Entry DOI: 10.7270/Q2GT5S5W
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576503
PNG
(CHEMBL3092680)
Show SMILES [#6]\[#6](-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#6]-[#6]-c2cc(-[#8])cc(-[#6])c2-[#8]1 |r|
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Assay Description
Inhibition of 5-LOX in human PMNL assessed as reduction in 5-LOX product formation preincubated for 10 mins before addition of AA and A23187 and meas...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50591539
PNG
(CHEMBL5170803)
Show SMILES CC(C)(C)CNC(=S)Nc1ccc2N(Cc3ccc(cc3)N=O)CCc2c1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00817
BindingDB Entry DOI: 10.7270/Q2GT5S5W
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576486
PNG
(CHEMBL4859324)
Show SMILES C\C(CC\C=C(/C)CCC(O)=O)=C/CC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 |r|
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Assay Description
Inhibition of recombinant human 5-LOX expressed in Escherichia coli BL21 (DE3) cells preincubated for 10 mins followed by arachidonic acid addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576485
PNG
(CHEMBL4858451)
Show SMILES C\C(CC\C=C\C(O)=O)=C/CC\C(C)=C\CC[C@]1(C)CCc2cc(O)cc(C)c2O1 |r|
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Assay Description
Inhibition of recombinant human 5-LOX expressed in Escherichia coli BL21 (DE3) cells preincubated for 10 mins followed by arachidonic acid addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50591522
PNG
(CHEMBL4473010)
Show SMILES CC(C)(C)CNC(=S)Nc1ccc2N(Cc3ccc(F)cc3)CCc2c1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00817
BindingDB Entry DOI: 10.7270/Q2GT5S5W
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576486
PNG
(CHEMBL4859324)
Show SMILES C\C(CC\C=C(/C)CCC(O)=O)=C/CC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 |r|
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Assay Description
Inhibition of 5-LOX in human PMNL assessed as reduction in 5-LOX product formation preincubated for 10 mins before addition of AA and A23187 and meas...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576507
PNG
(CHEMBL4856987)
Show SMILES [#6]\[#6](-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#6]-[#6]-c2cc(-[#8]-[#6](=O)-[#6]-[#6]-[#6](-[#8])=O)cc(-[#6])c2-[#8]1 |r|
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Assay Description
Inhibition of 5-LOX in human PMNL assessed as reduction in 5-LOX product formation preincubated for 10 mins before addition of AA and A23187 and meas...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576519
PNG
(CHEMBL4878678)
Show SMILES [#6]-[#6]-[#8]-[#6](=O)-c1cc2c3-[#6]-[#6][C@@]([#6])([#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8])[#8]-c3c(-[#6])cc2oc1=O |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 470n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human 5-LOX expressed in Escherichia coli BL21 (DE3) cells preincubated for 10 mins followed by arachidonic acid addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
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