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Compile Data Set for Download or QSAR

Found 79 hits with Last Name = 'kreft' and Initial = 'af'   
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
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50006816
PNG
((LY-171883)1-{2-Hydroxy-3-propyl-4-[4-(1H-tetrazol...)
Show SMILES CCCc1c(OCCCCc2nnn[nH]2)ccc(C(C)=O)c1O
Show InChI InChI=1S/C16H22N4O3/c1-3-6-13-14(9-8-12(11(2)21)16(13)22)23-10-5-4-7-15-17-19-20-18-15/h8-9,22H,3-7,10H2,1-2H3,(H,17,18,19,20)
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 60n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against Cysteinyl leukotriene D4 receptor in guinea pig lung membrane

J Med Chem 35: 2501-24 (1992)


BindingDB Entry DOI: 10.7270/Q23B60R4
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50052022
PNG
((S)-2-[7-(Quinolin-2-ylmethoxy)-naphthalen-2-yl]-p...)
Show SMILES C[C@H](C([O-])=O)c1ccc2ccc(OCc3ccc4ccccc4n3)cc2c1
Show InChI InChI=1S/C23H19NO3/c1-15(23(25)26)18-7-6-16-9-11-21(13-19(16)12-18)27-14-20-10-8-17-4-2-3-5-22(17)24-20/h2-13,15H,14H2,1H3,(H,25,26)/p-1/t15-/m0/s1
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 2.80E+3n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Binding affinity towards Cysteinyl leukotriene D4 receptor antagonist in guinea pig lung membranes

J Med Chem 35: 2501-24 (1992)


BindingDB Entry DOI: 10.7270/Q23B60R4
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))		BDBM50229761
PNG
(CHEMBL314337 | L-689037)
Show SMILES CC(C)(C)CC(=O)c1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12
Show InChI InChI=1S/C36H37ClN2O4/c1-35(2,3)20-32(40)33-28-18-27(43-22-26-15-12-24-8-6-7-9-29(24)38-26)16-17-30(28)39(21-23-10-13-25(37)14-11-23)31(33)19-36(4,5)34(41)42/h6-18H,19-22H2,1-5H3,(H,41,42)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against Prostaglandin G/H synthase in human polymorphonuclear leukocytes[PMNS]

J Med Chem 35: 2501-24 (1992)


BindingDB Entry DOI: 10.7270/Q23B60R4
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Mus musculus-Mus musculus (Mouse))		BDBM50229760
PNG
(CHEMBL316184 | WAY-121520)
Show SMILES Cc1c(CC(O)=O)c2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C28H23ClN2O3/c1-18-24(15-28(32)33)25-14-23(34-17-22-11-8-20-4-2-3-5-26(20)30-22)12-13-27(25)31(18)16-19-6-9-21(29)10-7-19/h2-14H,15-17H2,1H3,(H,32,33)
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n/an/a 4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against Prostaglandin G/H synthase in mouse macrophage

J Med Chem 35: 2501-24 (1992)


BindingDB Entry DOI: 10.7270/Q23B60R4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50006805
PNG
(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)
Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1
Show InChI InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31)
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n/an/a 5n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against 5-lipoxygenase translocation inhibitor in rat RBL-2H3 cells

J Med Chem 35: 2501-24 (1992)


BindingDB Entry DOI: 10.7270/Q23B60R4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50004679
PNG
(2-Benzyl-naphthalen-1-ol | 2-Benzyl-naphthalen-1-o...)
Show SMILES Oc1c(Cc2ccccc2)ccc2ccccc12
Show InChI InChI=1S/C17H14O/c18-17-15(12-13-6-2-1-3-7-13)11-10-14-8-4-5-9-16(14)17/h1-11,18H,12H2
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against 5-Lipoxygenase in rat RBL-1

J Med Chem 35: 2501-24 (1992)


BindingDB Entry DOI: 10.7270/Q23B60R4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50006807
PNG
(4-({(3-Fluoro-benzyl)-[4-(quinolin-2-ylmethoxy)-ph...)
Show SMILES OC(=O)c1ccc(CN(Cc2cccc(F)c2)c2ccc(OCc3ccc4ccccc4n3)cc2)cc1
Show InChI InChI=1S/C31H25FN2O3/c32-26-6-3-4-23(18-26)20-34(19-22-8-10-25(11-9-22)31(35)36)28-14-16-29(17-15-28)37-21-27-13-12-24-5-1-2-7-30(24)33-27/h1-18H,19-21H2,(H,35,36)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against 5-lipoxygenase in human polymorphonuclear leukocytes[PMNS]

J Med Chem 35: 2501-24 (1992)


BindingDB Entry DOI: 10.7270/Q23B60R4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50052022
PNG
((S)-2-[7-(Quinolin-2-ylmethoxy)-naphthalen-2-yl]-p...)
Show SMILES C[C@H](C([O-])=O)c1ccc2ccc(OCc3ccc4ccccc4n3)cc2c1
Show InChI InChI=1S/C23H19NO3/c1-15(23(25)26)18-7-6-16-9-11-21(13-19(16)12-18)27-14-20-10-8-17-4-2-3-5-22(17)24-20/h2-13,15H,14H2,1H3,(H,25,26)/p-1/t15-/m0/s1
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n/an/a 47n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against 5-lipoxygenase translocation inhibitor in RBL-2H3 cells

J Med Chem 35: 2501-24 (1992)


BindingDB Entry DOI: 10.7270/Q23B60R4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50006805
PNG
(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)
Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1
Show InChI InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31)
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n/an/a 60n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against LT synthesis in human polymorphonuclear leukocytes[PMNS]

J Med Chem 35: 2501-24 (1992)


BindingDB Entry DOI: 10.7270/Q23B60R4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50052022
PNG
((S)-2-[7-(Quinolin-2-ylmethoxy)-naphthalen-2-yl]-p...)
Show SMILES C[C@H](C([O-])=O)c1ccc2ccc(OCc3ccc4ccccc4n3)cc2c1
Show InChI InChI=1S/C23H19NO3/c1-15(23(25)26)18-7-6-16-9-11-21(13-19(16)12-18)27-14-20-10-8-17-4-2-3-5-22(17)24-20/h2-13,15H,14H2,1H3,(H,25,26)/p-1/t15-/m0/s1
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against 5-lipoxygenase in rat polymorphonuclear leukocytes[PMNS]

J Med Chem 35: 2501-24 (1992)


BindingDB Entry DOI: 10.7270/Q23B60R4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50006796
PNG
(CHEMBL82843 | LY-233569 | Sodium;(2E)-N-hydroxy-N-...)
Show SMILES CSc1ccccc1\C=C\C(=O)N(C)[O-]
Show InChI InChI=1S/C11H12NO2S/c1-12(14)11(13)8-7-9-5-3-4-6-10(9)15-2/h3-8H,1-2H3/q-1/b8-7+
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against 5-Lipoxygenase in human polymorphonuclear leukocytes[PMNS]

J Med Chem 35: 2501-24 (1992)


BindingDB Entry DOI: 10.7270/Q23B60R4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50006814
PNG
(2-[6-(Quinolin-2-ylmethoxy)-naphthalen-2-yl]-propi...)
Show SMILES CC(C(O)=O)c1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1
Show InChI InChI=1S/C23H19NO3/c1-15(23(25)26)17-6-7-19-13-21(11-9-18(19)12-17)27-14-20-10-8-16-4-2-3-5-22(16)24-20/h2-13,15H,14H2,1H3,(H,25,26)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against 5-lipoxygenase in rat polymorphonuclear leukocytes[PMNS] (in vitro)

J Med Chem 35: 2501-24 (1992)


BindingDB Entry DOI: 10.7270/Q23B60R4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM22334
PNG
(BW A4C | BW4C | BWA4C | BWA4C, 10 | CHEMBL314360 |...)
Show SMILES CC(=O)N(O)C\C=C\c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C17H17NO3/c1-14(19)18(20)12-6-8-15-7-5-11-17(13-15)21-16-9-3-2-4-10-16/h2-11,13,20H,12H2,1H3/b8-6+
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n/an/a 140n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against 5-Lipoxygenase in human polymorphonuclear leukocytes[PMNS]

J Med Chem 35: 2501-24 (1992)


BindingDB Entry DOI: 10.7270/Q23B60R4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50001183
PNG
(3-[5-(4-Chloro-phenyl)-1-(4-methoxy-phenyl)-1H-pyr...)
Show SMILES COc1ccc(cc1)-n1nc(CCC(=O)N(C)O)cc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H20ClN3O3/c1-23(26)20(25)12-7-16-13-19(14-3-5-15(21)6-4-14)24(22-16)17-8-10-18(27-2)11-9-17/h3-6,8-11,13,26H,7,12H2,1-2H3
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n/an/a 150n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against 5-Lipoxygenase in rat RBL-1

J Med Chem 35: 2501-24 (1992)


BindingDB Entry DOI: 10.7270/Q23B60R4
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50480807
PNG
(CHEMBL576553)
Show SMILES CCC(CC)[C@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccnn1Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C20H24ClN3O3S2/c1-3-15(4-2)20(23-29(26,27)19-10-9-18(21)28-19)17-11-12-22-24(17)13-14-5-7-16(25)8-6-14/h5-12,15,20,23,25H,3-4,13H2,1-2H3/t20-/m0/s1
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n/an/a 154n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H](S)-5-chloro-N-(3-ethyl-1-hydroxypentan-2-yl)thiophene-2-sulfonamide from gamma secretase in human SH-SY5Y cells after 1 hr

Bioorg Med Chem 17: 4708-17 (2009)


Article DOI: 10.1016/j.bmc.2009.04.052
BindingDB Entry DOI: 10.7270/Q2VX0KB6
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50012434
PNG
((REV-5,901)1-[3-(Quinolin-2-ylmethoxy)-phenyl]-hex...)
Show SMILES CCCCCC(O)c1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C22H25NO2/c1-2-3-4-12-22(24)18-9-7-10-20(15-18)25-16-19-14-13-17-8-5-6-11-21(17)23-19/h5-11,13-15,22,24H,2-4,12,16H2,1H3
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against 5-lipoxygenase in rat polymorphonuclear leukocytes[PMNS] (in vivo)

J Med Chem 35: 2501-24 (1992)


BindingDB Entry DOI: 10.7270/Q23B60R4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Mus musculus)		BDBM50006795
PNG
(2-(Naphthalen-1-yloxymethyl)-quinoline | CHEMBL847...)
Show SMILES C(Oc1cccc2ccccc12)c1ccc2ccccc2n1
Show InChI InChI=1S/C20H15NO/c1-3-9-18-15(6-1)8-5-11-20(18)22-14-17-13-12-16-7-2-4-10-19(16)21-17/h1-13H,14H2
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against 5-lipoxygenase in mouse macrophages

J Med Chem 35: 2501-24 (1992)


BindingDB Entry DOI: 10.7270/Q23B60R4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50016627
PNG
(C,C,C-Trifluoro-N-[7-(quinolin-2-ylmethoxy)-naphth...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1ccc2ccc(OCc3ccc4ccccc4n3)cc2c1
Show InChI InChI=1S/C21H15F3N2O3S/c22-21(23,24)30(27,28)26-17-8-5-14-7-10-19(12-16(14)11-17)29-13-18-9-6-15-3-1-2-4-20(15)25-18/h1-12,26H,13H2
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n/an/a 230n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound to inhibit 5-lipoxygenase in the rat

J Med Chem 32: 1176-83 (1989)


BindingDB Entry DOI: 10.7270/Q2833R1T
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50012434
PNG
((REV-5,901)1-[3-(Quinolin-2-ylmethoxy)-phenyl]-hex...)
Show SMILES CCCCCC(O)c1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C22H25NO2/c1-2-3-4-12-22(24)18-9-7-10-20(15-18)25-16-19-14-13-17-8-5-6-11-21(17)23-19/h5-11,13-15,22,24H,2-4,12,16H2,1H3
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n/an/a 300n/an/an/an/an/an/a



Wyeth Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit 5-lipoxygenase in guinea pig

J Med Chem 30: 2087-93 (1987)


BindingDB Entry DOI: 10.7270/Q2FQ9VMQ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50006815
PNG
(4,6-Dimethyl-2-(6-phenyl-hexylamino)-pyrimidin-5-o...)
Show SMILES Cc1nc(NCCCCCCc2ccccc2)nc(C)c1O
Show InChI InChI=1S/C18H25N3O/c1-14-17(22)15(2)21-18(20-14)19-13-9-4-3-6-10-16-11-7-5-8-12-16/h5,7-8,11-12,22H,3-4,6,9-10,13H2,1-2H3,(H,19,20,21)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against 5-lipoxygenase in mouse

J Med Chem 35: 2501-24 (1992)


BindingDB Entry DOI: 10.7270/Q23B60R4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50006819
PNG
(2-(4-Benzyloxy-phenyl)-N-hydroxy-N-phenethyl-aceta...)
Show SMILES ON(CCc1ccccc1)C(=O)Cc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C23H23NO3/c25-23(24(26)16-15-19-7-3-1-4-8-19)17-20-11-13-22(14-12-20)27-18-21-9-5-2-6-10-21/h1-14,26H,15-18H2
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n/an/a 350n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against 5-Lipoxygenase in human polymorphonuclear leukocytes[PMNS]

J Med Chem 35: 2501-24 (1992)


BindingDB Entry DOI: 10.7270/Q23B60R4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50006795
PNG
(2-(Naphthalen-1-yloxymethyl)-quinoline | CHEMBL847...)
Show SMILES C(Oc1cccc2ccccc12)c1ccc2ccccc2n1
Show InChI InChI=1S/C20H15NO/c1-3-9-18-15(6-1)8-5-11-20(18)22-14-17-13-12-16-7-2-4-10-19(16)21-17/h1-13H,14H2
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n/an/a 400n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against 5-lipoxygenase in rat polymorphonuclear leukocytes[PMNS]

J Med Chem 35: 2501-24 (1992)


BindingDB Entry DOI: 10.7270/Q23B60R4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50006793
PNG
(1-Ethyl-3-{4-[4-(4-hydroxy-phenyl)-piperazin-1-yl]...)
Show SMILES CCN1C(=S)N(C(=O)C1(C)C)c1ccc(cc1)N1CCN(CC1)c1ccc(O)cc1
Show InChI InChI=1S/C23H28N4O2S/c1-4-26-22(30)27(21(29)23(26,2)3)19-7-5-17(6-8-19)24-13-15-25(16-14-24)18-9-11-20(28)12-10-18/h5-12,28H,4,13-16H2,1-3H3
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against 5-lipoxygenase in rat RBL-1

J Med Chem 35: 2501-24 (1992)


BindingDB Entry DOI: 10.7270/Q23B60R4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 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 500n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against 5-Lipoxygenase in rat RBL-1

J Med Chem 35: 2501-24 (1992)


BindingDB Entry DOI: 10.7270/Q23B60R4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50004677
PNG
(Acetic acid 4-acetoxy-6-chloro-2,3-dimethoxy-napht...)
Show SMILES COc1c(OC)c(OC(C)=O)c2cc(Cl)ccc2c1OC(C)=O
Show InChI InChI=1S/C16H15ClO6/c1-8(18)22-13-11-6-5-10(17)7-12(11)14(23-9(2)19)16(21-4)15(13)20-3/h5-7H,1-4H3
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against 5-Lipoxygenase in rat RBL-1

J Med Chem 35: 2501-24 (1992)


BindingDB Entry DOI: 10.7270/Q23B60R4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50006810
PNG
(4-[4-(2,5-Dimethyl-pyrrol-1-yl)-phenyl]-but-3-enoi...)
Show SMILES CN(O)C(=O)C\C=C\c1ccc(cc1)-n1c(C)ccc1C
Show InChI InChI=1S/C17H20N2O2/c1-13-7-8-14(2)19(13)16-11-9-15(10-12-16)5-4-6-17(20)18(3)21/h4-5,7-12,21H,6H2,1-3H3/b5-4+
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against 5-Lipoxygenase in guinea pig polymorphonuclear leukocytes

J Med Chem 35: 2501-24 (1992)


BindingDB Entry DOI: 10.7270/Q23B60R4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50052022
PNG
((S)-2-[7-(Quinolin-2-ylmethoxy)-naphthalen-2-yl]-p...)
Show SMILES C[C@H](C([O-])=O)c1ccc2ccc(OCc3ccc4ccccc4n3)cc2c1
Show InChI InChI=1S/C23H19NO3/c1-15(23(25)26)18-7-6-16-9-11-21(13-19(16)12-18)27-14-20-10-8-17-4-2-3-5-22(17)24-20/h2-13,15H,14H2,1H3,(H,25,26)/p-1/t15-/m0/s1
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against 5-lipoxygenase in human polymorphonuclear leukocytes[PMNS]

J Med Chem 35: 2501-24 (1992)


BindingDB Entry DOI: 10.7270/Q23B60R4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50006801
PNG
(CHEMBL287012 | N-Hydroxy-N-[3-(quinolin-2-ylmethox...)
Show SMILES COC(=O)CCC(=O)N(O)c1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C21H20N2O5/c1-27-21(25)12-11-20(24)23(26)17-6-4-7-18(13-17)28-14-16-10-9-15-5-2-3-8-19(15)22-16/h2-10,13,26H,11-12,14H2,1H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Concentration that produces 50% inhibition of A-23,187-stimulated radiolabelled 5-HETE and TXB2 synthesis by PMN 5-lipoxygenase.

J Med Chem 33: 240-5 (1990)


BindingDB Entry DOI: 10.7270/Q24Q7T0P
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50006801
PNG
(CHEMBL287012 | N-Hydroxy-N-[3-(quinolin-2-ylmethox...)
Show SMILES COC(=O)CCC(=O)N(O)c1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C21H20N2O5/c1-27-21(25)12-11-20(24)23(26)17-6-4-7-18(13-17)28-14-16-10-9-15-5-2-3-8-19(15)22-16/h2-10,13,26H,11-12,14H2,1H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against 5-Lipoxygenase receptor in rat polymorphonuclear leukocytes[PMNS]

J Med Chem 35: 2501-24 (1992)


BindingDB Entry DOI: 10.7270/Q23B60R4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50006822
PNG
(1,1-Diethyl-3-{2-hydroxy-2-[3-(quinolin-2-ylmethox...)
Show SMILES CCN(CC)C(=O)N(C)C[C@H](O)c1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C24H29N3O3/c1-4-27(5-2)24(29)26(3)16-23(28)19-10-8-11-21(15-19)30-17-20-14-13-18-9-6-7-12-22(18)25-20/h6-15,23,28H,4-5,16-17H2,1-3H3/t23-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against 5-lipoxygenase in rat polymorphonuclear leukocytes[PMNS]

J Med Chem 35: 2501-24 (1992)


BindingDB Entry DOI: 10.7270/Q23B60R4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50006806
PNG
(C,C,C-Trifluoro-N-[3-(quinolin-2-ylmethoxy)-phenyl...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C17H13F3N2O3S/c18-17(19,20)26(23,24)22-13-5-3-6-15(10-13)25-11-14-9-8-12-4-1-2-7-16(12)21-14/h1-10,22H,11H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Concentration for 50% inhibition of A-23,187-stimulated radiolabelled 5-HETE and TXB2 synthesis by PMN 5-lipoxygenase

J Med Chem 33: 240-5 (1990)


BindingDB Entry DOI: 10.7270/Q24Q7T0P
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)		BDBM50006798
PNG
(2-[3-(Quinolin-2-ylmethoxy)-phenylamino]-benzoic a...)
Show SMILES OC(=O)c1ccccc1Nc1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C23H18N2O3/c26-23(27)20-9-2-4-11-22(20)24-17-7-5-8-19(14-17)28-15-18-13-12-16-6-1-3-10-21(16)25-18/h1-14,24H,15H2,(H,26,27)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against Prostaglandin G/H synthase in rat polymorphonuclear leukocytes[PMNS]

J Med Chem 35: 2501-24 (1992)


BindingDB Entry DOI: 10.7270/Q23B60R4
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50220291
PNG
(1-((2R,6R)-1-(4-chlorophenylsulfonyl)-6-ethylpiper...)
Show SMILES CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCN(CC1)C(C)(C)CO
Show InChI InChI=1S/C25H38ClN3O5S/c1-4-20-6-5-7-22(29(20)35(32,33)21-10-8-19(26)9-11-21)25(12-13-25)34-23(31)27-14-16-28(17-15-27)24(2,3)18-30/h8-11,20,22,30H,4-7,12-18H2,1-3H3/t20-,22-/m1/s1
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n/an/a>2.00E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4

J Med Chem 52: 6169-88 (2009)


Article DOI: 10.1021/jm900188z
BindingDB Entry DOI: 10.7270/Q20Z73DJ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50006822
PNG
(1,1-Diethyl-3-{2-hydroxy-2-[3-(quinolin-2-ylmethox...)
Show SMILES CCN(CC)C(=O)N(C)C[C@H](O)c1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C24H29N3O3/c1-4-27(5-2)24(29)26(3)16-23(28)19-10-8-11-21(15-19)30-17-20-14-13-18-9-6-7-12-22(18)25-20/h6-15,23,28H,4-5,16-17H2,1-3H3/t23-/m0/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



Wyeth Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit 5-lipoxygenase in guinea pig

J Med Chem 30: 2087-93 (1987)


BindingDB Entry DOI: 10.7270/Q2FQ9VMQ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50006791
PNG
(CHEMBL83977 | {3-[3-(1-Hydroxy-hexyl)-phenoxymethy...)
Show SMILES CCCCC[C@H](O)c1cccc(OCc2cccc(CC(O)=O)c2)c1
Show InChI InChI=1S/C21H26O4/c1-2-3-4-11-20(22)18-9-6-10-19(14-18)25-15-17-8-5-7-16(12-17)13-21(23)24/h5-10,12,14,20,22H,2-4,11,13,15H2,1H3,(H,23,24)/t20-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against 5-lipoxygenase in rat polymorphonuclear leukocytes[PMNS]

J Med Chem 35: 2501-24 (1992)


BindingDB Entry DOI: 10.7270/Q23B60R4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50000540
PNG
(1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazo...)
Show SMILES NC1=NN(CC1)c1cccc(c1)C(F)(F)F |t:1|
Show InChI InChI=1S/C10H10F3N3/c11-10(12,13)7-2-1-3-8(6-7)16-5-4-9(14)15-16/h1-3,6H,4-5H2,(H2,14,15)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against 5-lipoxygenase in human polymorphonuclear leukocytes[PMNS]

J Med Chem 35: 2501-24 (1992)


BindingDB Entry DOI: 10.7270/Q23B60R4
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)		BDBM50006806
PNG
(C,C,C-Trifluoro-N-[3-(quinolin-2-ylmethoxy)-phenyl...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C17H13F3N2O3S/c18-17(19,20)26(23,24)22-13-5-3-6-15(10-13)25-11-14-9-8-12-4-1-2-7-16(12)21-14/h1-10,22H,11H2
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n/an/a 3.30E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory concentration to inhibit Prostaglandin G/H synthase in the rat

J Med Chem 32: 1176-83 (1989)


BindingDB Entry DOI: 10.7270/Q2833R1T
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50006821
PNG
(4-Methyl-N-[3-(quinolin-2-ylmethoxy)-benzoyl]-benz...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)c1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C24H20N2O4S/c1-17-9-13-22(14-10-17)31(28,29)26-24(27)19-6-4-7-21(15-19)30-16-20-12-11-18-5-2-3-8-23(18)25-20/h2-15H,16H2,1H3,(H,26,27)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against 5-Lipoxygenase in rat polymorphonuclear leukocytes[PMNS]

J Med Chem 35: 2501-24 (1992)


BindingDB Entry DOI: 10.7270/Q23B60R4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50006820
PNG
(2-[3-(1H-Tetrazol-5-ylmethyl)-phenoxymethyl]-quino...)
Show SMILES C(Oc1cccc(Cc2nnn[nH]2)c1)c1ccc2ccccc2n1
Show InChI InChI=1S/C18H15N5O/c1-2-7-17-14(5-1)8-9-15(19-17)12-24-16-6-3-4-13(10-16)11-18-20-22-23-21-18/h1-10H,11-12H2,(H,20,21,22,23)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Concentration that produces 50% inhibition of A-23,187-stimulated radiolabelled 5-HETE and TXB2 synthesis by PMN 5-lipoxygenase

J Med Chem 33: 240-5 (1990)


BindingDB Entry DOI: 10.7270/Q24Q7T0P
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50006806
PNG
(C,C,C-Trifluoro-N-[3-(quinolin-2-ylmethoxy)-phenyl...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C17H13F3N2O3S/c18-17(19,20)26(23,24)22-13-5-3-6-15(10-13)25-11-14-9-8-12-4-1-2-7-16(12)21-14/h1-10,22H,11H2
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n/an/a 4.60E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound to inhibit 5-lipoxygenase in the rat

J Med Chem 32: 1176-83 (1989)


BindingDB Entry DOI: 10.7270/Q2833R1T
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM22372
PNG
(4-[(2R,3S)-4-(3,4-dihydroxyphenyl)-2,3-dimethylbut...)
Show SMILES C[C@@H](Cc1ccc(O)c(O)c1)[C@H](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/t11-,12+
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n/an/a 5.00E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against 5-Lipoxygenase in rat blood

J Med Chem 35: 2501-24 (1992)


BindingDB Entry DOI: 10.7270/Q23B60R4
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))		BDBM50012434
PNG
((REV-5,901)1-[3-(Quinolin-2-ylmethoxy)-phenyl]-hex...)
Show SMILES CCCCCC(O)c1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C22H25NO2/c1-2-3-4-12-22(24)18-9-7-10-20(15-18)25-16-19-14-13-17-8-5-6-11-21(17)23-19/h5-11,13-15,22,24H,2-4,12,16H2,1H3
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n/an/a 5.30E+3n/an/an/an/an/an/a



Wyeth Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit Prostaglandin G/H synthase in guinea pig

J Med Chem 30: 2087-93 (1987)


BindingDB Entry DOI: 10.7270/Q2FQ9VMQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)		BDBM50006804
PNG
(2-(Quinolin-2-ylmethoxy)-phenol | CHEMBL84074)
Show SMILES Oc1ccccc1OCc1ccc2ccccc2n1
Show InChI InChI=1S/C16H13NO2/c18-15-7-3-4-8-16(15)19-11-13-10-9-12-5-1-2-6-14(12)17-13/h1-10,18H,11H2
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n/an/a 5.82E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against Prostaglandin G/H synthase in rat polymorphonuclear leukocytes[PMNS]

J Med Chem 35: 2501-24 (1992)


BindingDB Entry DOI: 10.7270/Q23B60R4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50006817
PNG
(9-Phenyl-nonanoic acid hydroxyamide | BMY-30094 | ...)
Show SMILES ONC(=O)CCCCCCCCc1ccccc1
Show InChI InChI=1S/C15H23NO2/c17-15(16-18)13-9-4-2-1-3-6-10-14-11-7-5-8-12-14/h5,7-8,11-12,18H,1-4,6,9-10,13H2,(H,16,17)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against 5-Lipoxygenase in human polymorphonuclear leukocytes[PMNS]

J Med Chem 35: 2501-24 (1992)


BindingDB Entry DOI: 10.7270/Q23B60R4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50006809
PNG
(3-(Quinolin-2-ylmethoxy)-phenol | CHEMBL81939)
Show SMILES Oc1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C16H13NO2/c18-14-5-3-6-15(10-14)19-11-13-9-8-12-4-1-2-7-16(12)17-13/h1-10,18H,11H2
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n/an/a 6.07E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against 5-lipoxygenase using rat polymorphonuclear leukocytes[PMNS]

J Med Chem 35: 2501-24 (1992)


BindingDB Entry DOI: 10.7270/Q23B60R4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50006821
PNG
(4-Methyl-N-[3-(quinolin-2-ylmethoxy)-benzoyl]-benz...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)c1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C24H20N2O4S/c1-17-9-13-22(14-10-17)31(28,29)26-24(27)19-6-4-7-21(15-19)30-16-20-12-11-18-5-2-3-8-23(18)25-20/h2-15H,16H2,1H3,(H,26,27)
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n/an/a 6.20E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Concentration that produces 50% inhibition of A-23,187-stimulated radiolabelled 5-HETE and TXB2 synthesis by PMN 5-lipoxygenase.

J Med Chem 33: 240-5 (1990)


BindingDB Entry DOI: 10.7270/Q24Q7T0P
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50006820
PNG
(2-[3-(1H-Tetrazol-5-ylmethyl)-phenoxymethyl]-quino...)
Show SMILES C(Oc1cccc(Cc2nnn[nH]2)c1)c1ccc2ccccc2n1
Show InChI InChI=1S/C18H15N5O/c1-2-7-17-14(5-1)8-9-15(19-17)12-24-16-6-3-4-13(10-16)11-18-20-22-23-21-18/h1-10H,11-12H2,(H,20,21,22,23)
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n/an/a 6.20E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against 5-lipoxygenase in rat polymorphonuclear leukocytes[PMNS]

J Med Chem 35: 2501-24 (1992)


BindingDB Entry DOI: 10.7270/Q23B60R4
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)		BDBM50006795
PNG
(2-(Naphthalen-1-yloxymethyl)-quinoline | CHEMBL847...)
Show SMILES C(Oc1cccc2ccccc12)c1ccc2ccccc2n1
Show InChI InChI=1S/C20H15NO/c1-3-9-18-15(6-1)8-5-11-20(18)22-14-17-13-12-16-7-2-4-10-19(16)21-17/h1-13H,14H2
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n/an/a 6.30E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against cyclooxygenase in rat polymorphonuclear leukocytes[PMNS]

J Med Chem 35: 2501-24 (1992)


BindingDB Entry DOI: 10.7270/Q23B60R4
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)		BDBM50006806
PNG
(C,C,C-Trifluoro-N-[3-(quinolin-2-ylmethoxy)-phenyl...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C17H13F3N2O3S/c18-17(19,20)26(23,24)22-13-5-3-6-15(10-13)25-11-14-9-8-12-4-1-2-7-16(12)21-14/h1-10,22H,11H2
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n/an/a 9.10E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Concentration for 50% inhibition of A-23187-stimulated radiolabeled 5-HETE and TXB2 synthesis by Prostaglandin G/H synthase

J Med Chem 33: 240-5 (1990)


BindingDB Entry DOI: 10.7270/Q24Q7T0P
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50006798
PNG
(2-[3-(Quinolin-2-ylmethoxy)-phenylamino]-benzoic a...)
Show SMILES OC(=O)c1ccccc1Nc1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C23H18N2O3/c26-23(27)20-9-2-4-11-22(20)24-17-7-5-8-19(14-17)28-15-18-13-12-16-6-1-3-10-21(16)25-18/h1-14,24H,15H2,(H,26,27)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against 5-lipoxygenase in rat polymorphonuclear leukocytes[PMNS]

J Med Chem 35: 2501-24 (1992)


BindingDB Entry DOI: 10.7270/Q23B60R4
More data for this
Ligand-Target Pair
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