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PubMed code 26416255

Compile data set for download or QSAR
Found 15 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
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM179812
PNG
(Myxochelin J7)
Show SMILES OC[C@H](CCCCNC(=O)c1cccc(O)c1O)NC(=O)c1c(O)cccc1F |r|
Show InChI InChI=1S/C20H23FN2O6/c21-14-7-4-8-15(25)17(14)20(29)23-12(11-24)5-1-2-10-22-19(28)13-6-3-9-16(26)18(13)27/h3-4,6-9,12,24-27H,1-2,5,10-11H2,(H,22,28)(H,23,29)/t12-/m0/s1
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n/an/a 1.18E+3n/an/an/an/an/an/a



Hans Knöll Institute



Assay Description
Purified 5-LO was diluted in PBS containing EDTA (1 mM) and freshly added ATP (1 mM) and incubated with the myxochelin test substances for 10 min at ...

Chembiochem 16: 2445-50 (2015)


Article DOI: 10.1002/cbic.201500446
BindingDB Entry DOI: 10.7270/Q2R2105R
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM179811
PNG
(Myxochelin J6)
Show SMILES OC[C@H](CCCCNC(=O)c1c(O)cccc1F)NC(=O)c1cccc(O)c1O |r|
Show InChI InChI=1S/C20H23FN2O6/c21-14-7-4-8-15(25)17(14)20(29)22-10-2-1-5-12(11-24)23-19(28)13-6-3-9-16(26)18(13)27/h3-4,6-9,12,24-27H,1-2,5,10-11H2,(H,22,29)(H,23,28)/t12-/m0/s1
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n/an/a 1.44E+3n/an/an/an/an/an/a



Hans Knöll Institute



Assay Description
Purified 5-LO was diluted in PBS containing EDTA (1 mM) and freshly added ATP (1 mM) and incubated with the myxochelin test substances for 10 min at ...

Chembiochem 16: 2445-50 (2015)


Article DOI: 10.1002/cbic.201500446
BindingDB Entry DOI: 10.7270/Q2R2105R
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM179808
PNG
(Myxochelin J3)
Show SMILES OC[C@H](CCCCNC(=O)c1ccccc1O)NC(=O)c1cccc(O)c1O |r|
Show InChI InChI=1S/C20H24N2O6/c23-12-13(22-20(28)15-8-5-10-17(25)18(15)26)6-3-4-11-21-19(27)14-7-1-2-9-16(14)24/h1-2,5,7-10,13,23-26H,3-4,6,11-12H2,(H,21,27)(H,22,28)/t13-/m0/s1
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n/an/a 1.52E+3n/an/an/an/an/an/a



Hans Knöll Institute



Assay Description
Purified 5-LO was diluted in PBS containing EDTA (1 mM) and freshly added ATP (1 mM) and incubated with the myxochelin test substances for 10 min at ...

Chembiochem 16: 2445-50 (2015)


Article DOI: 10.1002/cbic.201500446
BindingDB Entry DOI: 10.7270/Q2R2105R
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM179805
PNG
(Myxochelin A)
Show SMILES OC[C@H](CCCCNC(=O)c1cccc(O)c1O)NC(=O)c1cccc(O)c1O |r|
Show InChI InChI=1S/C20H24N2O7/c23-11-12(22-20(29)14-7-4-9-16(25)18(14)27)5-1-2-10-21-19(28)13-6-3-8-15(24)17(13)26/h3-4,6-9,12,23-27H,1-2,5,10-11H2,(H,21,28)(H,22,29)/t12-/m0/s1
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n/an/a 1.72E+3n/an/an/an/an/an/a



Hans Knöll Institute



Assay Description
Purified 5-LO was diluted in PBS containing EDTA (1 mM) and freshly added ATP (1 mM) and incubated with the myxochelin test substances for 10 min at ...

Chembiochem 16: 2445-50 (2015)


Article DOI: 10.1002/cbic.201500446
BindingDB Entry DOI: 10.7270/Q2R2105R
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM179807
PNG
(Myxochelin J2)
Show SMILES OC[C@H](CCCCNC(=O)c1cccc(O)c1O)NC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C20H24N2O5/c23-13-15(22-19(26)14-7-2-1-3-8-14)9-4-5-12-21-20(27)16-10-6-11-17(24)18(16)25/h1-3,6-8,10-11,15,23-25H,4-5,9,12-13H2,(H,21,27)(H,22,26)/t15-/m0/s1
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n/an/a 2.39E+3n/an/an/an/an/an/a



Hans Knöll Institute



Assay Description
Purified 5-LO was diluted in PBS containing EDTA (1 mM) and freshly added ATP (1 mM) and incubated with the myxochelin test substances for 10 min at ...

Chembiochem 16: 2445-50 (2015)


Article DOI: 10.1002/cbic.201500446
BindingDB Entry DOI: 10.7270/Q2R2105R
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM179806
PNG
(Myxochelin J1)
Show SMILES OC[C@H](CCCCNC(=O)c1ccccc1)NC(=O)c1cccc(O)c1O |r|
Show InChI InChI=1S/C20H24N2O5/c23-13-15(22-20(27)16-10-6-11-17(24)18(16)25)9-4-5-12-21-19(26)14-7-2-1-3-8-14/h1-3,6-8,10-11,15,23-25H,4-5,9,12-13H2,(H,21,26)(H,22,27)/t15-/m0/s1
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n/an/a 3.15E+3n/an/an/an/an/an/a



Hans Knöll Institute



Assay Description
Purified 5-LO was diluted in PBS containing EDTA (1 mM) and freshly added ATP (1 mM) and incubated with the myxochelin test substances for 10 min at ...

Chembiochem 16: 2445-50 (2015)


Article DOI: 10.1002/cbic.201500446
BindingDB Entry DOI: 10.7270/Q2R2105R
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM179809
PNG
(Myxochelin J4)
Show SMILES OC[C@H](CCCCNC(=O)c1cccc(O)c1O)NC(=O)c1ccccc1O |r|
Show InChI InChI=1S/C20H24N2O6/c23-12-13(22-20(28)14-7-1-2-9-16(14)24)6-3-4-11-21-19(27)15-8-5-10-17(25)18(15)26/h1-2,5,7-10,13,23-26H,3-4,6,11-12H2,(H,21,27)(H,22,28)/t13-/m0/s1
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n/an/a 3.54E+3n/an/an/an/an/an/a



Hans Knöll Institute



Assay Description
Purified 5-LO was diluted in PBS containing EDTA (1 mM) and freshly added ATP (1 mM) and incubated with the myxochelin test substances for 10 min at ...

Chembiochem 16: 2445-50 (2015)


Article DOI: 10.1002/cbic.201500446
BindingDB Entry DOI: 10.7270/Q2R2105R
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM179813
PNG
(Myxochelin J8)
Show SMILES OC[C@H](CCCCNC(=O)c1c(O)cccc1F)NC(=O)c1c(O)cccc1F |r|
Show InChI InChI=1S/C20H22F2N2O5/c21-13-6-3-8-15(26)17(13)19(28)23-10-2-1-5-12(11-25)24-20(29)18-14(22)7-4-9-16(18)27/h3-4,6-9,12,25-27H,1-2,5,10-11H2,(H,23,28)(H,24,29)/t12-/m0/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



Hans Knöll Institute



Assay Description
Purified 5-LO was diluted in PBS containing EDTA (1 mM) and freshly added ATP (1 mM) and incubated with the myxochelin test substances for 10 min at ...

Chembiochem 16: 2445-50 (2015)


Article DOI: 10.1002/cbic.201500446
BindingDB Entry DOI: 10.7270/Q2R2105R
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM179819
PNG
(Myxochelin J14)
Show SMILES OC[C@H](CCCCNC(=O)c1cccc(O)c1O)NC(=O)c1ccccc1Cl |r|
Show InChI InChI=1S/C20H23ClN2O5/c21-16-9-2-1-7-14(16)20(28)23-13(12-24)6-3-4-11-22-19(27)15-8-5-10-17(25)18(15)26/h1-2,5,7-10,13,24-26H,3-4,6,11-12H2,(H,22,27)(H,23,28)/t13-/m0/s1
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n/an/a 3.64E+3n/an/an/an/an/an/a



Hans Knöll Institute



Assay Description
Purified 5-LO was diluted in PBS containing EDTA (1 mM) and freshly added ATP (1 mM) and incubated with the myxochelin test substances for 10 min at ...

Chembiochem 16: 2445-50 (2015)


Article DOI: 10.1002/cbic.201500446
BindingDB Entry DOI: 10.7270/Q2R2105R
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM179818
PNG
(Myxochelin J13)
Show SMILES OC[C@H](CCCCNC(=O)c1ccccc1Cl)NC(=O)c1cccc(O)c1O |r|
Show InChI InChI=1S/C20H23ClN2O5/c21-16-9-2-1-7-14(16)19(27)22-11-4-3-6-13(12-24)23-20(28)15-8-5-10-17(25)18(15)26/h1-2,5,7-10,13,24-26H,3-4,6,11-12H2,(H,22,27)(H,23,28)/t13-/m0/s1
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n/an/a 4.60E+3n/an/an/an/an/an/a



Hans Knöll Institute



Assay Description
Purified 5-LO was diluted in PBS containing EDTA (1 mM) and freshly added ATP (1 mM) and incubated with the myxochelin test substances for 10 min at ...

Chembiochem 16: 2445-50 (2015)


Article DOI: 10.1002/cbic.201500446
BindingDB Entry DOI: 10.7270/Q2R2105R
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM179815
PNG
(Myxochelin J10)
Show SMILES OC[C@H](CCCCNC(=O)c1cccc(O)c1O)NC(=O)c1ccccc1F |r|
Show InChI InChI=1S/C20H23FN2O5/c21-16-9-2-1-7-14(16)20(28)23-13(12-24)6-3-4-11-22-19(27)15-8-5-10-17(25)18(15)26/h1-2,5,7-10,13,24-26H,3-4,6,11-12H2,(H,22,27)(H,23,28)/t13-/m0/s1
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n/an/a 8.09E+3n/an/an/an/an/an/a



Hans Knöll Institute



Assay Description
Purified 5-LO was diluted in PBS containing EDTA (1 mM) and freshly added ATP (1 mM) and incubated with the myxochelin test substances for 10 min at ...

Chembiochem 16: 2445-50 (2015)


Article DOI: 10.1002/cbic.201500446
BindingDB Entry DOI: 10.7270/Q2R2105R
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM179814
PNG
(Myxochelin J9)
Show SMILES OC[C@H](CCCCNC(=O)c1ccccc1F)NC(=O)c1cccc(O)c1O |r|
Show InChI InChI=1S/C20H23FN2O5/c21-16-9-2-1-7-14(16)19(27)22-11-4-3-6-13(12-24)23-20(28)15-8-5-10-17(25)18(15)26/h1-2,5,7-10,13,24-26H,3-4,6,11-12H2,(H,22,27)(H,23,28)/t13-/m0/s1
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n/an/a 8.40E+3n/an/an/an/an/an/a



Hans Knöll Institute



Assay Description
Purified 5-LO was diluted in PBS containing EDTA (1 mM) and freshly added ATP (1 mM) and incubated with the myxochelin test substances for 10 min at ...

Chembiochem 16: 2445-50 (2015)


Article DOI: 10.1002/cbic.201500446
BindingDB Entry DOI: 10.7270/Q2R2105R
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM179810
PNG
(Myxochelin J5)
Show SMILES OC[C@H](CCCCNC(=O)c1ccccc1O)NC(=O)c1ccccc1O |r|
Show InChI InChI=1S/C20H24N2O5/c23-13-14(22-20(27)16-9-2-4-11-18(16)25)7-5-6-12-21-19(26)15-8-1-3-10-17(15)24/h1-4,8-11,14,23-25H,5-7,12-13H2,(H,21,26)(H,22,27)/t14-/m0/s1
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n/an/a 9.32E+3n/an/an/an/an/an/a



Hans Knöll Institute



Assay Description
Purified 5-LO was diluted in PBS containing EDTA (1 mM) and freshly added ATP (1 mM) and incubated with the myxochelin test substances for 10 min at ...

Chembiochem 16: 2445-50 (2015)


Article DOI: 10.1002/cbic.201500446
BindingDB Entry DOI: 10.7270/Q2R2105R
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM179817
PNG
(Myxochelin J12)
Show SMILES OC[C@H](CCCCNC(=O)c1cccc(F)c1)NC(=O)c1cccc(F)c1 |r|
Show InChI InChI=1S/C20H22F2N2O3/c21-16-7-3-5-14(11-16)19(26)23-10-2-1-9-18(13-25)24-20(27)15-6-4-8-17(22)12-15/h3-8,11-12,18,25H,1-2,9-10,13H2,(H,23,26)(H,24,27)/t18-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Hans Knöll Institute



Assay Description
Purified 5-LO was diluted in PBS containing EDTA (1 mM) and freshly added ATP (1 mM) and incubated with the myxochelin test substances for 10 min at ...

Chembiochem 16: 2445-50 (2015)


Article DOI: 10.1002/cbic.201500446
BindingDB Entry DOI: 10.7270/Q2R2105R
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM179816
PNG
(Myxochelin J11)
Show SMILES OC[C@H](CCCCNC(=O)c1ccccc1F)NC(=O)c1ccccc1F |r|
Show InChI InChI=1S/C20H22F2N2O3/c21-17-10-3-1-8-15(17)19(26)23-12-6-5-7-14(13-25)24-20(27)16-9-2-4-11-18(16)22/h1-4,8-11,14,25H,5-7,12-13H2,(H,23,26)(H,24,27)/t14-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Hans Knöll Institute



Assay Description
Purified 5-LO was diluted in PBS containing EDTA (1 mM) and freshly added ATP (1 mM) and incubated with the myxochelin test substances for 10 min at ...

Chembiochem 16: 2445-50 (2015)


Article DOI: 10.1002/cbic.201500446
BindingDB Entry DOI: 10.7270/Q2R2105R
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%