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PubMed code 1313879

Compile data set for download or QSAR
Found 21 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
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50000534
PNG
(2-Phenethyl-6-[3-(pyridin-4-ylsulfanyl)-propyl]-2,...)
Show SMILES Oc1cc2CC(CCc3ccccc3)Oc2cc1CCCSc1ccncc1
Show InChI InChI=1S/C24H25NO2S/c26-23-16-20-15-21(9-8-18-5-2-1-3-6-18)27-24(20)17-19(23)7-4-14-28-22-10-12-25-13-11-22/h1-3,5-6,10-13,16-17,21,26H,4,7-9,14-15H2
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n/an/a 8n/an/an/an/an/an/a



Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL


Assay Description
Tested for its inhibitory activity against arachidonic acid in rat 5-lipoxygenase.


J Med Chem 35: 1299-318 (1992)


Article DOI: 10.1021/jm00085a019
BindingDB Entry DOI: 10.7270/Q25X27WS
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50000536
PNG
(6-Allyl-2-phenethyl-2,3-dihydro-benzofuran-5-ol | ...)
Show SMILES Oc1cc2CC(CCc3ccccc3)Oc2cc1CC=C
Show InChI InChI=1S/C19H20O2/c1-2-6-15-13-19-16(12-18(15)20)11-17(21-19)10-9-14-7-4-3-5-8-14/h2-5,7-8,12-13,17,20H,1,6,9-11H2
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n/an/a 17n/an/an/an/an/an/a



Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL


Assay Description
Tested for its inhibitory activity against arachidonic acid in rat 5-lipoxygenase.


J Med Chem 35: 1299-318 (1992)


Article DOI: 10.1021/jm00085a019
BindingDB Entry DOI: 10.7270/Q25X27WS
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50000526
PNG
(2-Phenethyl-6-(3-phenoxy-propyl)-2,3-dihydro-benzo...)
Show SMILES Oc1cc2CC(CCc3ccccc3)Oc2cc1CCCOc1ccccc1
Show InChI InChI=1S/C25H26O3/c26-24-17-21-16-23(14-13-19-8-3-1-4-9-19)28-25(21)18-20(24)10-7-15-27-22-11-5-2-6-12-22/h1-6,8-9,11-12,17-18,23,26H,7,10,13-16H2
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Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL


Assay Description
Tested for its inhibitory activity against arachidonic acid in rat 5-lipoxygenase.


J Med Chem 35: 1299-318 (1992)


Article DOI: 10.1021/jm00085a019
BindingDB Entry DOI: 10.7270/Q25X27WS
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50000551
PNG
(4-Allyl-2-phenethyl-2,3-dihydro-benzofuran-5-ol | ...)
Show SMILES Oc1ccc2OC(CCc3ccccc3)Cc2c1CC=C
Show InChI InChI=1S/C19H20O2/c1-2-6-16-17-13-15(21-19(17)12-11-18(16)20)10-9-14-7-4-3-5-8-14/h2-5,7-8,11-12,15,20H,1,6,9-10,13H2
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Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL


Assay Description
Tested for its inhibitory activity against arachidonic acid in rat 5-lipoxygenase.


J Med Chem 35: 1299-318 (1992)


Article DOI: 10.1021/jm00085a019
BindingDB Entry DOI: 10.7270/Q25X27WS
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50000531
PNG
(2-(4-Methoxy-benzyl)-3-methyl-6-propyl-2,3-dihydro...)
Show SMILES CCCc1cc2OC(Cc3ccc(OC)cc3)C(C)c2cc1O
Show InChI InChI=1S/C20H24O3/c1-4-5-15-11-20-17(12-18(15)21)13(2)19(23-20)10-14-6-8-16(22-3)9-7-14/h6-9,11-13,19,21H,4-5,10H2,1-3H3
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n/an/a 35n/an/an/an/an/an/a



Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against arachidonic acid in rat 5-lipoxygenase


J Med Chem 35: 1299-318 (1992)


Article DOI: 10.1021/jm00085a019
BindingDB Entry DOI: 10.7270/Q25X27WS
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50000535
PNG
(3,3-Dimethyl-2-phenethyl-6-(3-phenoxy-propyl)-2,3-...)
Show SMILES CC1(C)C(CCc2ccccc2)Oc2cc(CCCOc3ccccc3)c(O)cc12
Show InChI InChI=1S/C27H30O3/c1-27(2)23-19-24(28)21(12-9-17-29-22-13-7-4-8-14-22)18-25(23)30-26(27)16-15-20-10-5-3-6-11-20/h3-8,10-11,13-14,18-19,26,28H,9,12,15-17H2,1-2H3
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Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL


Assay Description
Tested for its inhibitory activity against arachidonic acid in rat 5-lipoxygenase.


J Med Chem 35: 1299-318 (1992)


Article DOI: 10.1021/jm00085a019
BindingDB Entry DOI: 10.7270/Q25X27WS
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50000538
PNG
(3,3-Dimethyl-6-propyl-2-[2-(pyridin-2-ylsulfanyl)-...)
Show SMILES CCCc1cc2OC(CCSc3ccccn3)C(C)(C)c2cc1O
Show InChI InChI=1S/C20H25NO2S/c1-4-7-14-12-17-15(13-16(14)22)20(2,3)18(23-17)9-11-24-19-8-5-6-10-21-19/h5-6,8,10,12-13,18,22H,4,7,9,11H2,1-3H3
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Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL


Assay Description
Tested for its inhibitory activity against arachidonic acid in rat 5-lipoxygenase.


J Med Chem 35: 1299-318 (1992)


Article DOI: 10.1021/jm00085a019
BindingDB Entry DOI: 10.7270/Q25X27WS
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50000542
PNG
(4-[3-(5-Hydroxy-2-phenethyl-2,3-dihydro-benzofuran...)
Show SMILES OC(=O)c1ccc(OCCCc2cc3OC(CCc4ccccc4)Cc3cc2O)cc1
Show InChI InChI=1S/C26H26O5/c27-24-16-21-15-23(11-8-18-5-2-1-3-6-18)31-25(21)17-20(24)7-4-14-30-22-12-9-19(10-13-22)26(28)29/h1-3,5-6,9-10,12-13,16-17,23,27H,4,7-8,11,14-15H2,(H,28,29)
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Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL


Assay Description
Tested for its inhibitory activity against arachidonic acid in rat 5-lipoxygenase.


J Med Chem 35: 1299-318 (1992)


Article DOI: 10.1021/jm00085a019
BindingDB Entry DOI: 10.7270/Q25X27WS
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50000537
PNG
(2-Phenethyl-4-propyl-6-{3-[4-(5H-tetrazol-5-yl)-ph...)
Show SMILES CCCc1c2CC(CCc3ccccc3)Oc2cc(CCCOc2ccc(cc2)-c2nnn[nH]2)c1O
Show InChI InChI=1S/C29H32N4O3/c1-2-7-25-26-19-24(14-11-20-8-4-3-5-9-20)36-27(26)18-22(28(25)34)10-6-17-35-23-15-12-21(13-16-23)29-30-32-33-31-29/h3-5,8-9,12-13,15-16,18,24,34H,2,6-7,10-11,14,17,19H2,1H3,(H,30,31,32,33)
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Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL


Assay Description
Tested for its inhibitory activity against arachidonic acid in rat 5-lipoxygenase.


J Med Chem 35: 1299-318 (1992)


Article DOI: 10.1021/jm00085a019
BindingDB Entry DOI: 10.7270/Q25X27WS
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50000527
PNG
(6-[3-(Benzothiazol-2-ylsulfanyl)-propyl]-2-pheneth...)
Show SMILES Oc1cc2CC(CCc3ccccc3)Oc2cc1CCCSc1nc2ccccc2s1
Show InChI InChI=1S/C26H25NO2S2/c28-23-16-20-15-21(13-12-18-7-2-1-3-8-18)29-24(20)17-19(23)9-6-14-30-26-27-22-10-4-5-11-25(22)31-26/h1-5,7-8,10-11,16-17,21,28H,6,9,12-15H2
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Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL


Assay Description
Tested for its inhibitory activity against arachidonic acid in rat 5-lipoxygenase.


J Med Chem 35: 1299-318 (1992)


Article DOI: 10.1021/jm00085a019
BindingDB Entry DOI: 10.7270/Q25X27WS
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50000533
PNG
(6-Benzyl-2-phenethyl-2,3-dihydro-benzofuran-5-ol |...)
Show SMILES Oc1cc2CC(CCc3ccccc3)Oc2cc1Cc1ccccc1
Show InChI InChI=1S/C23H22O2/c24-22-15-20-14-21(12-11-17-7-3-1-4-8-17)25-23(20)16-19(22)13-18-9-5-2-6-10-18/h1-10,15-16,21,24H,11-14H2
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Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL


Assay Description
Tested for its inhibitory activity against arachidonic acid in rat 5-lipoxygenase.


J Med Chem 35: 1299-318 (1992)


Article DOI: 10.1021/jm00085a019
BindingDB Entry DOI: 10.7270/Q25X27WS
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50000545
PNG
(8-[3-(5-Hydroxy-2-phenethyl-2,3-dihydro-benzofuran...)
Show SMILES COc1nc2c(SCCCc3cc4OC(CCc5ccccc5)Cc4cc3O)cccc2cc1C(O)=O
Show InChI InChI=1S/C30H29NO5S/c1-35-29-24(30(33)34)16-21-9-5-11-27(28(21)31-29)37-14-6-10-20-18-26-22(17-25(20)32)15-23(36-26)13-12-19-7-3-2-4-8-19/h2-5,7-9,11,16-18,23,32H,6,10,12-15H2,1H3,(H,33,34)
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Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL


Assay Description
Tested for its inhibitory activity against arachidonic acid in rat 5-lipoxygenase.


J Med Chem 35: 1299-318 (1992)


Article DOI: 10.1021/jm00085a019
BindingDB Entry DOI: 10.7270/Q25X27WS
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50000552
PNG
(2-[2-(4-Chloro-phenyl)-ethyl]-6-(3-phenoxy-propyl)...)
Show SMILES Oc1cc2CC(CCc3ccc(Cl)cc3)Oc2cc1CCCOc1ccccc1
Show InChI InChI=1S/C25H25ClO3/c26-21-11-8-18(9-12-21)10-13-23-15-20-16-24(27)19(17-25(20)29-23)5-4-14-28-22-6-2-1-3-7-22/h1-3,6-9,11-12,16-17,23,27H,4-5,10,13-15H2
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Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL


Assay Description
Tested for its inhibitory activity against arachidonic acid in rat 5-lipoxygenase.


J Med Chem 35: 1299-318 (1992)


Article DOI: 10.1021/jm00085a019
BindingDB Entry DOI: 10.7270/Q25X27WS
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50000524
PNG
(6-Allyl-2-[2-(4-methoxy-phenyl)-ethyl]-3,3-dimethy...)
Show SMILES COc1ccc(CCC2Oc3cc(CC=C)c(O)cc3C2(C)C)cc1
Show InChI InChI=1S/C22H26O3/c1-5-6-16-13-20-18(14-19(16)23)22(2,3)21(25-20)12-9-15-7-10-17(24-4)11-8-15/h5,7-8,10-11,13-14,21,23H,1,6,9,12H2,2-4H3
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Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL


Assay Description
Tested for its inhibitory activity against arachidonic acid in rat 5-lipoxygenase.


J Med Chem 35: 1299-318 (1992)


Article DOI: 10.1021/jm00085a019
BindingDB Entry DOI: 10.7270/Q25X27WS
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50000528
PNG
(1-{2-Hydroxy-4-[3-(5-hydroxy-2-phenethyl-2,3-dihyd...)
Show SMILES CCCc1c(OCCCc2cc3OC(CCc4ccccc4)Cc3cc2O)ccc(C(C)=O)c1O
Show InChI InChI=1S/C30H34O5/c1-3-8-26-28(15-14-25(20(2)31)30(26)33)34-16-7-11-22-19-29-23(18-27(22)32)17-24(35-29)13-12-21-9-5-4-6-10-21/h4-6,9-10,14-15,18-19,24,32-33H,3,7-8,11-13,16-17H2,1-2H3
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Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL


Assay Description
Tested for its inhibitory activity against arachidonic acid in rat 5-lipoxygenase.


J Med Chem 35: 1299-318 (1992)


Article DOI: 10.1021/jm00085a019
BindingDB Entry DOI: 10.7270/Q25X27WS
More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM32020
PNG
(4-[4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]pyro...)
Show SMILES CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1
Show InChI InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3
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n/an/a 85n/an/an/an/an/an/a



Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against LTB4 in human PMN


J Med Chem 35: 1299-318 (1992)


Article DOI: 10.1021/jm00085a019
BindingDB Entry DOI: 10.7270/Q25X27WS
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50000544
PNG
(3,3-Dimethyl-2-[2-(4-methylsulfanyl-phenyl)-ethyl]...)
Show SMILES CCCc1cc2OC(CCc3ccc(SC)cc3)C(C)(C)c2cc1O
Show InChI InChI=1S/C22H28O2S/c1-5-6-16-13-20-18(14-19(16)23)22(2,3)21(24-20)12-9-15-7-10-17(25-4)11-8-15/h7-8,10-11,13-14,21,23H,5-6,9,12H2,1-4H3
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Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL


Assay Description
Tested for its inhibitory activity against arachidonic acid in rat 5-lipoxygenase.


J Med Chem 35: 1299-318 (1992)


Article DOI: 10.1021/jm00085a019
BindingDB Entry DOI: 10.7270/Q25X27WS
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50000525
PNG
(2-Phenethyl-6-(3-phenoxy-propyl)-4-propyl-2,3-dihy...)
Show SMILES CCCc1c2CC(CCc3ccccc3)Oc2cc(CCCOc2ccccc2)c1O
Show InChI InChI=1S/C28H32O3/c1-2-10-25-26-20-24(17-16-21-11-5-3-6-12-21)31-27(26)19-22(28(25)29)13-9-18-30-23-14-7-4-8-15-23/h3-8,11-12,14-15,19,24,29H,2,9-10,13,16-18,20H2,1H3
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n/an/a 127n/an/an/an/an/an/a



Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against arachidonic acid in rat 5-lipoxygenase


J Med Chem 35: 1299-318 (1992)


Article DOI: 10.1021/jm00085a019
BindingDB Entry DOI: 10.7270/Q25X27WS
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50000532
PNG
(6-Allyl-2-(4-methoxy-benzyl)-3,3-dimethyl-2,3-dihy...)
Show SMILES COc1ccc(CC2Oc3cc(CC=C)c(O)cc3C2(C)C)cc1
Show InChI InChI=1S/C21H24O3/c1-5-6-15-12-19-17(13-18(15)22)21(2,3)20(24-19)11-14-7-9-16(23-4)10-8-14/h5,7-10,12-13,20,22H,1,6,11H2,2-4H3
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Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL


Assay Description
Tested for its inhibitory activity against arachidonic acid in rat 5-lipoxygenase.


J Med Chem 35: 1299-318 (1992)


Article DOI: 10.1021/jm00085a019
BindingDB Entry DOI: 10.7270/Q25X27WS
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
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 320n/an/an/an/an/an/a



Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against arachidonic acid in rat 5-lipoxygenase


J Med Chem 35: 1299-318 (1992)


Article DOI: 10.1021/jm00085a019
BindingDB Entry DOI: 10.7270/Q25X27WS
More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50000546
PNG
(3,4,5,6-Tetrahydroxy-tetrahydro-pyran-2-carboxylic...)
Show SMILES CCc1ccccc1C1Cc2cc(OC(=O)C3O[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)c(CCCOc3ccccc3)cc2O1
Show InChI InChI=1S/C31H34O9/c1-2-18-9-6-7-13-22(18)25-17-20-16-23(39-31(36)29-27(33)26(32)28(34)30(35)40-29)19(15-24(20)38-25)10-8-14-37-21-11-4-3-5-12-21/h3-7,9,11-13,15-16,25-30,32-35H,2,8,10,14,17H2,1H3/t25?,26-,27+,28+,29?,30+/m0/s1
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n/an/a>2.00E+3n/an/an/an/an/an/a



Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against LTB4 in human PMN


J Med Chem 35: 1299-318 (1992)


Article DOI: 10.1021/jm00085a019
BindingDB Entry DOI: 10.7270/Q25X27WS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%