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PubMed code 9288168

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
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50059717
PNG
(4-(furan-3-yl)-7-((6-(4-hydroxytetrahydro-2H-pyran...)
Show SMILES OC1(CCOCC1)c1cccc(COc2ccc3c(cc(cc3c2)C#N)-c2ccoc2)n1
Show InChI InChI=1S/C26H22N2O4/c27-15-18-12-20-14-22(4-5-23(20)24(13-18)19-6-9-31-16-19)32-17-21-2-1-3-25(28-21)26(29)7-10-30-11-8-26/h1-6,9,12-14,16,29H,7-8,10-11,17H2
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n/an/a 15n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Compound was evaluated for the potency to inhibit oxidation of arachidonic acid by human recombinant 5-Lipoxygenase using a spectrophotometric assay


J Med Chem 40: 2866-75 (1997)


Article DOI: 10.1021/jm970046b
BindingDB Entry DOI: 10.7270/Q2QN67G4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50059715
PNG
(4-Furan-3-yl-7-[6-(3-hydroxy-6,8-dioxa-bicyclo[3.2...)
Show SMILES OC1(CC2COC(C1)O2)c1cccc(COc2ccc3c(cc(cc3c2)C#N)-c2ccoc2)n1 |TLB:0:1:8:5.4,THB:9:1:8:5.4|
Show InChI InChI=1S/C27H22N2O5/c28-13-17-8-19-10-21(4-5-23(19)24(9-17)18-6-7-31-14-18)32-15-20-2-1-3-25(29-20)27(30)11-22-16-33-26(12-27)34-22/h1-10,14,22,26,30H,11-12,15-16H2
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n/an/a 20n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of oxidation of arachidonic acid by human 5-Lipoxygenase using spectrophotometric assay


J Med Chem 40: 2866-75 (1997)


Article DOI: 10.1021/jm970046b
BindingDB Entry DOI: 10.7270/Q2QN67G4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50053554
PNG
(4-Furan-3-yl-7-[3-(4-hydroxy-tetrahydro-pyran-4-yl...)
Show SMILES OC1(CCOCC1)c1cccc(COc2ccc3c(cc(cc3c2)C#N)-c2ccoc2)c1
Show InChI InChI=1S/C27H23NO4/c28-16-20-12-22-15-24(4-5-25(22)26(14-20)21-6-9-31-18-21)32-17-19-2-1-3-23(13-19)27(29)7-10-30-11-8-27/h1-6,9,12-15,18,29H,7-8,10-11,17H2
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n/an/a 30n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of oxidation of arachidonic acid by human 5-Lipoxygenase using spectrophotometric assay


J Med Chem 40: 2866-75 (1997)


Article DOI: 10.1021/jm970046b
BindingDB Entry DOI: 10.7270/Q2QN67G4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50059722
PNG
(4-Furan-3-yl-7-[4-(4-hydroxy-tetrahydro-pyran-4-yl...)
Show SMILES OC1(CCOCC1)c1ccnc(COc2ccc3c(cc(cc3c2)C#N)-c2ccoc2)c1
Show InChI InChI=1S/C26H22N2O4/c27-15-18-11-20-13-23(1-2-24(20)25(12-18)19-4-8-31-16-19)32-17-22-14-21(3-7-28-22)26(29)5-9-30-10-6-26/h1-4,7-8,11-14,16,29H,5-6,9-10,17H2
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n/an/a 70n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of oxidation of arachidonic acid by human 5-Lipoxygenase using spectrophotometric assay


J Med Chem 40: 2866-75 (1997)


Article DOI: 10.1021/jm970046b
BindingDB Entry DOI: 10.7270/Q2QN67G4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50059720
PNG
(4-Furan-3-yl-7-[6-(3-hydroxy-6,8-dioxa-bicyclo[3.2...)
Show SMILES OC1(CC2COC(C1)O2)c1cccc(OCc2ccc3c(cc(cc3c2)C#N)-c2ccoc2)n1 |TLB:0:1:8:5.4,THB:9:1:8:5.4|
Show InChI InChI=1S/C27H22N2O5/c28-13-18-9-20-8-17(4-5-22(20)23(10-18)19-6-7-31-15-19)14-32-25-3-1-2-24(29-25)27(30)11-21-16-33-26(12-27)34-21/h1-10,15,21,26,30H,11-12,14,16H2
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n/an/a 80n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of oxidation of arachidonic acid by human 5-Lipoxygenase using spectrophotometric assay


J Med Chem 40: 2866-75 (1997)


Article DOI: 10.1021/jm970046b
BindingDB Entry DOI: 10.7270/Q2QN67G4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50059714
PNG
(4-Furan-3-yl-7-[5-(4-hydroxy-tetrahydro-pyran-4-yl...)
Show SMILES OC1(CCOCC1)c1cncc(COc2ccc3c(cc(cc3c2)C#N)-c2ccoc2)c1
Show InChI InChI=1S/C26H22N2O4/c27-13-18-9-21-12-23(1-2-24(21)25(11-18)20-3-6-31-17-20)32-16-19-10-22(15-28-14-19)26(29)4-7-30-8-5-26/h1-3,6,9-12,14-15,17,29H,4-5,7-8,16H2
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n/an/a 100n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of oxidation of arachidonic acid by human 5-Lipoxygenase using spectrophotometric assay


J Med Chem 40: 2866-75 (1997)


Article DOI: 10.1021/jm970046b
BindingDB Entry DOI: 10.7270/Q2QN67G4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50059719
PNG
(4-Furan-3-yl-7-[2-(4-hydroxy-tetrahydro-pyran-4-yl...)
Show SMILES OC1(CCOCC1)c1nc(COc2ccc3c(cc(cc3c2)C#N)-c2ccoc2)cs1
Show InChI InChI=1S/C24H20N2O4S/c25-12-16-9-18-11-20(1-2-21(18)22(10-16)17-3-6-29-13-17)30-14-19-15-31-23(26-19)24(27)4-7-28-8-5-24/h1-3,6,9-11,13,15,27H,4-5,7-8,14H2
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n/an/a 160n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of oxidation of arachidonic acid by human 5-Lipoxygenase using spectrophotometric assay


J Med Chem 40: 2866-75 (1997)


Article DOI: 10.1021/jm970046b
BindingDB Entry DOI: 10.7270/Q2QN67G4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50053548
PNG
(4-Furan-3-yl-7-[3-(3-hydroxy-6,8-dioxa-bicyclo[3.2...)
Show SMILES OC1(CC2COC(C1)O2)c1cccc(COc2ccc3c(cc(cc3c2)C#N)-c2ccoc2)c1 |TLB:0:1:8:5.4,THB:9:1:8:5.4|
Show InChI InChI=1S/C28H23NO5/c29-14-19-8-21-11-23(4-5-25(21)26(10-19)20-6-7-31-16-20)32-15-18-2-1-3-22(9-18)28(30)12-24-17-33-27(13-28)34-24/h1-11,16,24,27,30H,12-13,15,17H2
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n/an/a 190n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of oxidation of arachidonic acid by human 5-Lipoxygenase using spectrophotometric assay


J Med Chem 40: 2866-75 (1997)


Article DOI: 10.1021/jm970046b
BindingDB Entry DOI: 10.7270/Q2QN67G4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50059721
PNG
(4-Furan-3-yl-7-[2-(4-hydroxy-tetrahydro-pyran-4-yl...)
Show SMILES OC1(CCOCC1)c1cc(COc2ccc3c(cc(cc3c2)C#N)-c2ccoc2)ccn1
Show InChI InChI=1S/C26H22N2O4/c27-15-19-11-21-14-22(1-2-23(21)24(12-19)20-4-8-31-17-20)32-16-18-3-7-28-25(13-18)26(29)5-9-30-10-6-26/h1-4,7-8,11-14,17,29H,5-6,9-10,16H2
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n/an/a 350n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Compound was evaluated for the potency to inhibit oxidation of arachidonic acid by human recombinant 5-Lipoxygenase using a spectrophotometric assay


J Med Chem 40: 2866-75 (1997)


Article DOI: 10.1021/jm970046b
BindingDB Entry DOI: 10.7270/Q2QN67G4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50059718
PNG
(4-Furan-3-yl-7-[7-(4-hydroxy-tetrahydro-pyran-4-yl...)
Show SMILES OC1(CCOCC1)c1ccc2ccc(COc3ccc4c(cc(cc4c3)C#N)-c3ccoc3)nc2c1
Show InChI InChI=1S/C30H24N2O4/c31-17-20-13-23-15-26(5-6-27(23)28(14-20)22-7-10-35-18-22)36-19-25-4-2-21-1-3-24(16-29(21)32-25)30(33)8-11-34-12-9-30/h1-7,10,13-16,18,33H,8-9,11-12,19H2
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of oxidation of arachidonic acid by human 5-Lipoxygenase using spectrophotometric assay


J Med Chem 40: 2866-75 (1997)


Article DOI: 10.1021/jm970046b
BindingDB Entry DOI: 10.7270/Q2QN67G4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50000541
PNG
((+-)-1-(1-Benzo[b]thien-2-ylethyl)-1-hydroxyurea |...)
Show SMILES CC(N(O)C(N)=O)c1cc2ccccc2s1
Show InChI InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)
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n/an/a 3.70E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of oxidation of arachidonic acid by human 5-Lipoxygenase using spectrophotometric assay


J Med Chem 40: 2866-75 (1997)


Article DOI: 10.1021/jm970046b
BindingDB Entry DOI: 10.7270/Q2QN67G4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50029559
PNG
(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)
Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12
Show InChI InChI=1S/C34H35ClN2O3S/c1-33(2,3)41-31-27-18-26(40-21-25-15-12-23-8-6-7-9-28(23)36-25)16-17-29(27)37(20-22-10-13-24(35)14-11-22)30(31)19-34(4,5)32(38)39/h6-18H,19-21H2,1-5H3,(H,38,39)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of oxidation of arachidonic acid by human 5-Lipoxygenase using spectrophotometric assay


J Med Chem 40: 2866-75 (1997)


Article DOI: 10.1021/jm970046b
BindingDB Entry DOI: 10.7270/Q2QN67G4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%