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Compile Data Set for Download or QSAR

Found 5480 hits of ic50 data for polymerid = 2259,50001968,50002672,50002716,50007210   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50182303
PNG
(6-(3-fluoro-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypro...)
Show SMILES OC(c1cc(F)cc(Sc2ccc3oc(=O)cc(-c4ccc(F)cc4)c3c2)c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H12F8O3S/c25-14-3-1-12(2-4-14)18-11-21(33)35-20-6-5-16(10-19(18)20)36-17-8-13(7-15(26)9-17)22(34,23(27,28)29)24(30,31)32/h1-11,34H
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n/an/a 0.5n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of LTB4 production in calcium ionophore A-23187-stimulated human polymorphonuclear leukocyte


Bioorg Med Chem Lett 16: 2528-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.085
BindingDB Entry DOI: 10.7270/Q2NV9HVZ
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50182306
PNG
(7-(3-fluoro-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypro...)
Show SMILES OC(c1cc(F)cc(Sc2ccc3c(cc(=O)oc3c2)-c2ccccc2)c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H13F7O3S/c25-15-8-14(22(33,23(26,27)28)24(29,30)31)9-17(10-15)35-16-6-7-18-19(13-4-2-1-3-5-13)12-21(32)34-20(18)11-16/h1-12,33H
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n/an/a 0.5n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of LTB4 production in calcium ionophore A-23187-stimulated human polymorphonuclear leukocyte


Bioorg Med Chem Lett 16: 2528-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.085
BindingDB Entry DOI: 10.7270/Q2NV9HVZ
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Mus musculus)
BDBM50043670
PNG
(2-{(S)-1-[3-Fluoro-5-(naphthalen-2-ylmethoxy)-phen...)
Show SMILES CC[C@@](OC)(c1nccs1)c1cc(F)cc(OCc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C24H22FNO2S/c1-3-24(27-2,23-26-10-11-29-23)20-13-21(25)15-22(14-20)28-16-17-8-9-18-6-4-5-7-19(18)12-17/h4-15H,3,16H2,1-2H3/t24-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase from mouse macrophage


J Med Chem 37: 113-24 (1994)


Article DOI: 10.1021/jm00027a014
BindingDB Entry DOI: 10.7270/Q2JW8CZP
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50182308
PNG
(7-(3-fluoro-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypro...)
Show SMILES OC(c1cc(F)cc(Sc2ccc3c(cc(=O)oc3c2)-c2ccoc2)c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H11F7O4S/c23-13-5-12(20(31,21(24,25)26)22(27,28)29)6-15(7-13)34-14-1-2-16-17(11-3-4-32-10-11)9-19(30)33-18(16)8-14/h1-10,31H
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n/an/a 0.800n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of LTB4 production in calcium ionophore A-23187-stimulated human polymorphonuclear leukocyte


Bioorg Med Chem Lett 16: 2528-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.085
BindingDB Entry DOI: 10.7270/Q2NV9HVZ
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50182304
PNG
(7-((3-fluoro-5-(3-hydroxypentan-3-yl)phenoxy)methy...)
Show SMILES CCC(O)(CC)c1cc(F)cc(OCc2ccc3c(cc(=O)oc3c2)-c2ccoc2)c1
Show InChI InChI=1S/C25H23FO5/c1-3-25(28,4-2)18-10-19(26)12-20(11-18)30-14-16-5-6-21-22(17-7-8-29-15-17)13-24(27)31-23(21)9-16/h5-13,15,28H,3-4,14H2,1-2H3
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n/an/a 0.900n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of LTB4 production in calcium ionophore A-23187-stimulated human polymorphonuclear leukocyte


Bioorg Med Chem Lett 16: 2528-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.085
BindingDB Entry DOI: 10.7270/Q2NV9HVZ
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Mus musculus)
BDBM50043682
PNG
((R)-2-[3-Fluoro-5-(naphthalen-2-ylmethoxy)-phenyl]...)
Show SMILES CC[C@](OC)(C(=O)OC)c1cc(F)cc(OCc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C23H23FO4/c1-4-23(27-3,22(25)26-2)19-12-20(24)14-21(13-19)28-15-16-9-10-17-7-5-6-8-18(17)11-16/h5-14H,4,15H2,1-3H3/t23-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase from mouse macrophage


J Med Chem 37: 113-24 (1994)


Article DOI: 10.1021/jm00027a014
BindingDB Entry DOI: 10.7270/Q2JW8CZP
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50406364
PNG
(CHEMBL173711)
Show SMILES CC(C)Cc1ccc(cc1)C(Cc1ccccc1)C(=O)N(C)O
Show InChI InChI=1S/C20H25NO2/c1-15(2)13-17-9-11-18(12-10-17)19(20(22)21(3)23)14-16-7-5-4-6-8-16/h4-12,15,19,23H,13-14H2,1-3H3
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n/an/a 1.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cells(RBL-1)


J Med Chem 33: 992-8 (1990)


Article DOI: 10.1021/jm00165a017
BindingDB Entry DOI: 10.7270/Q2WW7GNM
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Mus musculus)
BDBM50043669
PNG
(6-[3-Fluoro-5-((S)-1-methoxy-1-thiazol-2-yl-propyl...)
Show SMILES CC[C@@](OC)(c1nccs1)c1cc(F)cc(OCc2ccc3n(C)c(=O)ccc3c2)c1
Show InChI InChI=1S/C24H23FN2O3S/c1-4-24(29-3,23-26-9-10-31-23)18-12-19(25)14-20(13-18)30-15-16-5-7-21-17(11-16)6-8-22(28)27(21)2/h5-14H,4,15H2,1-3H3/t24-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase from mouse macrophage


J Med Chem 37: 113-24 (1994)


Article DOI: 10.1021/jm00027a014
BindingDB Entry DOI: 10.7270/Q2JW8CZP
More data for this
Ligand-Target Pair
Arachidonate 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 1.60n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX (unknown origin) using arachidonic acid as substrate after 5 mins by EIA


Bioorg Med Chem 22: 1642-8 (2014)


Article DOI: 10.1016/j.bmc.2014.01.027
BindingDB Entry DOI: 10.7270/Q2KH0PT3
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50406363
PNG
(CHEMBL69795)
Show SMILES CC(C)Cc1ccc(cc1)C(C(C)C)C(=O)N(C)O
Show InChI InChI=1S/C16H25NO2/c1-11(2)10-13-6-8-14(9-7-13)15(12(3)4)16(18)17(5)19/h6-9,11-12,15,19H,10H2,1-5H3
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n/an/a 1.60n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Logarithmic value of inhibitory concentration against 5-lipoxygenase in rat basophilic leukemia cells (RBL-1)


J Med Chem 33: 992-8 (1990)


Article DOI: 10.1021/jm00165a017
BindingDB Entry DOI: 10.7270/Q2WW7GNM
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50182302
PNG
(7-((3-fluoro-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypr...)
Show SMILES OC(c1cc(F)cc(OCc2ccc3c(cc(=O)oc3c2)-c2ccc(F)cc2)c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H14F8O4/c26-16-4-2-14(3-5-16)20-11-22(34)37-21-7-13(1-6-19(20)21)12-36-18-9-15(8-17(27)10-18)23(35,24(28,29)30)25(31,32)33/h1-11,35H,12H2
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n/an/a 1.90n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of LTB4 production in calcium ionophore A-23187-stimulated human polymorphonuclear leukocyte


Bioorg Med Chem Lett 16: 2528-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.085
BindingDB Entry DOI: 10.7270/Q2NV9HVZ
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50182300
PNG
(7-((3-fluoro-5-((1S,3S,5R)-3-hydroxy-6,8-dioxa-bic...)
Show SMILES O[C@]1(C[C@H]2CO[C@@H](C1)O2)c1cc(F)cc(OCc2ccc3c(cc(nc3c2)C#N)-c2ccoc2)c1
Show InChI InChI=1S/C27H21FN2O5/c28-19-6-18(27(31)10-22-15-34-26(11-27)35-22)7-21(8-19)33-13-16-1-2-23-24(17-3-4-32-14-17)9-20(12-29)30-25(23)5-16/h1-9,14,22,26,31H,10-11,13,15H2/t22?,26?,27-/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of LTB4 production in calcium ionophore A-23187-stimulated human polymorphonuclear leukocyte


Bioorg Med Chem Lett 16: 2528-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.085
BindingDB Entry DOI: 10.7270/Q2NV9HVZ
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042977
PNG
(1-(2,5-Diethoxy-phenyl)-3-(3,4-dihydroxy-phenyl)-p...)
Show SMILES CCOc1ccc(OCC)c(c1)C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C19H20O5/c1-3-23-14-7-10-19(24-4-2)15(12-14)16(20)8-5-13-6-9-17(21)18(22)11-13/h5-12,21-22H,3-4H2,1-2H3/b8-5+
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n/an/a 2.40n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined


J Med Chem 36: 3904-9 (1994)


Article DOI: 10.1021/jm00076a019
BindingDB Entry DOI: 10.7270/Q2MS3RT4
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50182305
PNG
(7-((3-fluoro-5-(1-hydroxy-1-(thiazol-2-yl)propyl)p...)
Show SMILES CCC(O)(c1nccs1)c1cc(F)cc(OCc2ccc3c(cc(=O)oc3c2)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C28H21F2NO4S/c1-2-28(33,27-31-9-10-36-27)19-12-21(30)14-22(13-19)34-16-17-3-8-23-24(15-26(32)35-25(23)11-17)18-4-6-20(29)7-5-18/h3-15,33H,2,16H2,1H3
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n/an/a 2.70n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of LTB4 production in calcium ionophore A-23187-stimulated human polymorphonuclear leukocyte


Bioorg Med Chem Lett 16: 2528-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.085
BindingDB Entry DOI: 10.7270/Q2NV9HVZ
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50110484
PNG
(3-((3-fluoro-5-(1-methoxycyclohexyl)phenoxy)methyl...)
Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C29H29FN2O5S/c1-35-29(12-14-36-15-13-29)22-16-23(30)18-26(17-22)37-20-24-19-28(21-6-4-3-5-7-21)32(31-24)25-8-10-27(11-9-25)38(2,33)34/h3-11,16-19H,12-15,20H2,1-2H3
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n/an/a 3n/an/an/an/an/an/a



Organon Laboratories

Curated by ChEMBL


Assay Description
Inhibition constant against arachidonate 5-lipoxygenase


J Med Chem 48: 6523-43 (2005)


Article DOI: 10.1021/jm058225d
BindingDB Entry DOI: 10.7270/Q2SF2WZ9
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50045673
PNG
(1-(4-Chloro-benzyl)-2-[2,2-dimethyl-3-(1H-tetrazol...)
Show SMILES CC1Cc2c(CCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)Cc4nnn[nH]4)c(S1)c23
Show InChI InChI=1S/C37H37ClN6S/c1-24-19-31-27(11-16-30-17-12-28(22-39-30)26-7-5-4-6-8-26)13-18-32-35(31)36(45-24)33(20-37(2,3)21-34-40-42-43-41-34)44(32)23-25-9-14-29(38)15-10-25/h4-10,12-15,17-18,22,24H,11,16,19-21,23H2,1-3H3,(H,40,41,42,43)
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n/an/a 3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of LTB4 biosynthesis in [Ca2+]-ionophore-activated human polymorphonuclear leukocytes


J Med Chem 36: 2771-87 (1993)


Article DOI: 10.1021/jm00071a008
BindingDB Entry DOI: 10.7270/Q28914XB
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50045643
PNG
(3-[1-(4-Chloro-benzyl)-4-methyl-6-(quinolin-2-ylme...)
Show SMILES CC1Cc2c(OCc3ccc4ccccc4n3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)C(O)=O)c(S1)c23
Show InChI InChI=1S/C33H31ClN2O3S/c1-20-16-25-29(39-19-24-13-10-22-6-4-5-7-26(22)35-24)15-14-27-30(25)31(40-20)28(17-33(2,3)32(37)38)36(27)18-21-8-11-23(34)12-9-21/h4-15,20H,16-19H2,1-3H3,(H,37,38)
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n/an/a 3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of LTB4 biosynthesis in [Ca2+]-ionophore-activated human polymorphonuclear leukocytes


J Med Chem 36: 2771-87 (1993)


Article DOI: 10.1021/jm00071a008
BindingDB Entry DOI: 10.7270/Q28914XB
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50110484
PNG
(3-((3-fluoro-5-(1-methoxycyclohexyl)phenoxy)methyl...)
Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C29H29FN2O5S/c1-35-29(12-14-36-15-13-29)22-16-23(30)18-26(17-22)37-20-24-19-28(21-6-4-3-5-7-21)32(31-24)25-8-10-27(11-9-25)38(2,33)34/h3-11,16-19H,12-15,20H2,1-2H3
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n/an/a 3n/an/an/an/an/an/a



Laboratoires Innothera

Curated by ChEMBL


Assay Description
The compound was evaluated for its inhibitory activity against 5-lipoxygenase using granulocytes-type cells


Bioorg Med Chem Lett 12: 779-82 (2002)


Article DOI: 10.1016/s0960-894x(02)00013-6
BindingDB Entry DOI: 10.7270/Q20864MC
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50182307
PNG
(7-((3-fluoro-5-((1S,3S,5R)-3-hydroxy-6,8-dioxa-bic...)
Show SMILES O[C@]1(C[C@H]2CO[C@@H](C1)O2)c1cc(F)cc(OCc2ccc3c(cc(=O)oc3c2)-c2ccoc2)c1
Show InChI InChI=1S/C26H21FO7/c27-18-6-17(26(29)10-20-14-32-25(11-26)33-20)7-19(8-18)31-12-15-1-2-21-22(16-3-4-30-13-16)9-24(28)34-23(21)5-15/h1-9,13,20,25,29H,10-12,14H2/t20?,25?,26-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of LTB4 production in calcium ionophore A-23187-stimulated human polymorphonuclear leukocyte


Bioorg Med Chem Lett 16: 2528-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.085
BindingDB Entry DOI: 10.7270/Q2NV9HVZ
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50182298
PNG
(7-((3-fluoro-5-((1S,3S,5R)-3-hydroxy-6,8-dioxa-bic...)
Show SMILES O[C@]1(C[C@H]2CO[C@@H](C1)O2)c1cc(F)cc(OCc2ccc3c(cc(=O)oc3c2)-c2ccccc2)c1
Show InChI InChI=1S/C28H23FO6/c29-20-9-19(28(31)13-22-16-33-27(14-28)34-22)10-21(11-20)32-15-17-6-7-23-24(18-4-2-1-3-5-18)12-26(30)35-25(23)8-17/h1-12,22,27,31H,13-16H2/t22?,27?,28-/m0/s1
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n/an/a 3.70n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of LTB4 production in calcium ionophore A-23187-stimulated human polymorphonuclear leukocyte


Bioorg Med Chem Lett 16: 2528-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.085
BindingDB Entry DOI: 10.7270/Q2NV9HVZ
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50182299
PNG
(7-((3-fluoro-5-(1-hydroxy-1-(pyridin-2-yl)propyl)p...)
Show SMILES CCC(O)(c1cc(F)cc(OCc2ccc3c(cc(=O)oc3c2)-c2ccoc2)c1)c1ccccn1
Show InChI InChI=1S/C28H22FNO5/c1-2-28(32,26-5-3-4-9-30-26)20-12-21(29)14-22(13-20)34-16-18-6-7-23-24(19-8-10-33-17-19)15-27(31)35-25(23)11-18/h3-15,17,32H,2,16H2,1H3
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n/an/a 3.70n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of LTB4 production in calcium ionophore A-23187-stimulated human polymorphonuclear leukocyte


Bioorg Med Chem Lett 16: 2528-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.085
BindingDB Entry DOI: 10.7270/Q2NV9HVZ
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042951
PNG
(3-(3,4-Dihydroxy-phenyl)-1-(5-ethoxy-2-methoxy-phe...)
Show SMILES CCOc1ccc(OC)c(c1)C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C18H18O5/c1-3-23-13-6-9-18(22-2)14(11-13)15(19)7-4-12-5-8-16(20)17(21)10-12/h4-11,20-21H,3H2,1-2H3/b7-4+
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n/an/a 3.80n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined


J Med Chem 36: 3904-9 (1994)


Article DOI: 10.1021/jm00076a019
BindingDB Entry DOI: 10.7270/Q2MS3RT4
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM323045
PNG
((1R,2R)-N-(2-Methyl-4-oxo-4,5,6,7- tetrahydropyraz...)
Show SMILES Cc1cc(n[nH]1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1c(C)nn2CCNC(=O)c12
Show InChI InChI=1S/C25H28N6O3/c1-14-13-20(29-28-14)16-7-9-17(10-8-16)23(32)18-5-3-4-6-19(18)24(33)27-21-15(2)30-31-12-11-26-25(34)22(21)31/h7-10,13,18-19H,3-6,11-12H2,1-2H3,(H,26,34)(H,27,33)(H,28,29)/t18-,19-/m1/s1
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US Patent
n/an/a 3.90n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...


US Patent US10183947 (2019)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042962
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-1-(4-hydroxy-phenyl)-...)
Show SMILES Oc1ccc(cc1)C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H12O4/c16-12-5-3-11(4-6-12)13(17)7-1-10-2-8-14(18)15(19)9-10/h1-9,16,18-19H/b7-1+
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n/an/a 4n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined


J Med Chem 36: 3904-9 (1994)


Article DOI: 10.1021/jm00076a019
BindingDB Entry DOI: 10.7270/Q2MS3RT4
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042962
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-1-(4-hydroxy-phenyl)-...)
Show SMILES Oc1ccc(cc1)C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H12O4/c16-12-5-3-11(4-6-12)13(17)7-1-10-2-8-14(18)15(19)9-10/h1-9,16,18-19H/b7-1+
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n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of 5-lipoxygenase in rat RBL1 cells


Citation and Details

Article DOI: 10.1007/s00044-013-0745-7
BindingDB Entry DOI: 10.7270/Q22N53QB
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042981
PNG
(3-(3,4-Dihydroxy-phenyl)-1-(2-hydroxy-5-isopropyl-...)
Show SMILES CC(C)c1ccc(O)c(c1)C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C18H18O4/c1-11(2)13-5-8-16(20)14(10-13)15(19)6-3-12-4-7-17(21)18(22)9-12/h3-11,20-22H,1-2H3/b6-3+
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n/an/a 4n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined


J Med Chem 36: 3904-9 (1994)


Article DOI: 10.1021/jm00076a019
BindingDB Entry DOI: 10.7270/Q2MS3RT4
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50004424
PNG
(CHEMBL3238463)
Show SMILES [O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C17H11N3O5/c21-17(12-8-13(19(22)23)10-14(9-12)20(24)25)18-16-7-3-5-11-4-1-2-6-15(11)16/h1-10H,(H,18,21)
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n/an/a 4n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of human 5-LOX using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition by H2DCFDA staining-based fluor...


Bioorg Med Chem 22: 2396-402 (2014)


Article DOI: 10.1016/j.bmc.2014.03.008
BindingDB Entry DOI: 10.7270/Q2X63PF9
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042979
PNG
(3-(3,4-Dihydroxy-phenyl)-1-(3-hydroxy-phenyl)-prop...)
Show SMILES Oc1cccc(c1)C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H12O4/c16-12-3-1-2-11(9-12)13(17)6-4-10-5-7-14(18)15(19)8-10/h1-9,16,18-19H/b6-4+
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n/an/a 4.20n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined


J Med Chem 36: 3904-9 (1994)


Article DOI: 10.1021/jm00076a019
BindingDB Entry DOI: 10.7270/Q2MS3RT4
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042979
PNG
(3-(3,4-Dihydroxy-phenyl)-1-(3-hydroxy-phenyl)-prop...)
Show SMILES Oc1cccc(c1)C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H12O4/c16-12-3-1-2-11(9-12)13(17)6-4-10-5-7-14(18)15(19)8-10/h1-9,16,18-19H/b6-4+
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n/an/a 4.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of 5-lipoxygenase in rat RBL1 cells


Citation and Details

Article DOI: 10.1007/s00044-013-0745-7
BindingDB Entry DOI: 10.7270/Q22N53QB
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50182301
PNG
(4-(4-chlorophenyl)-7-(3-fluoro-5-(1,1,1,3,3,3-hexa...)
Show SMILES OC(c1cc(F)cc(Sc2ccc3c(cc(=O)oc3c2)-c2ccc(Cl)cc2)c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H12ClF7O3S/c25-14-3-1-12(2-4-14)19-11-21(33)35-20-10-16(5-6-18(19)20)36-17-8-13(7-15(26)9-17)22(34,23(27,28)29)24(30,31)32/h1-11,34H
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n/an/a 4.30n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of LTB4 production in calcium ionophore A-23187-stimulated human polymorphonuclear leukocyte


Bioorg Med Chem Lett 16: 2528-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.085
BindingDB Entry DOI: 10.7270/Q2NV9HVZ
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50406422
PNG
(CHEMBL2115381)
Show SMILES CCCCCCCCCCCCCCCCCCOC1C(=O)O[C@H](C(O)CO)C1=O
Show InChI InChI=1S/C24H44O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-23-21(27)22(20(26)19-25)30-24(23)28/h20,22-23,25-26H,2-19H2,1H3/t20?,22-,23?/m1/s1
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n/an/a 4.30n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Reduction of lipid peroxide formed in rat brain homogenates.


J Med Chem 34: 267-76 (1991)


Article DOI: 10.1021/jm00105a042
BindingDB Entry DOI: 10.7270/Q2SN07X9
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042949
PNG
((E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl...)
Show SMILES Oc1ccc(C(=O)\C=C\c2ccc(O)c(O)c2)c(O)c1
Show InChI InChI=1S/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H/b5-1+
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n/an/a 4.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of 5-lipoxygenase in rat RBL1 cells


Citation and Details

Article DOI: 10.1007/s00044-013-0745-7
BindingDB Entry DOI: 10.7270/Q22N53QB
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042949
PNG
((E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl...)
Show SMILES Oc1ccc(C(=O)\C=C\c2ccc(O)c(O)c2)c(O)c1
Show InChI InChI=1S/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H/b5-1+
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n/an/a 4.60n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined


J Med Chem 36: 3904-9 (1994)


Article DOI: 10.1021/jm00076a019
BindingDB Entry DOI: 10.7270/Q2MS3RT4
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042964
PNG
(3-(3,4-Dihydroxy-phenyl)-1-(4-dimethylamino-phenyl...)
Show SMILES CN(C)c1ccc(cc1)C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C17H17NO3/c1-18(2)14-7-5-13(6-8-14)15(19)9-3-12-4-10-16(20)17(21)11-12/h3-11,20-21H,1-2H3/b9-3+
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n/an/a 4.70n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined


J Med Chem 36: 3904-9 (1994)


Article DOI: 10.1021/jm00076a019
BindingDB Entry DOI: 10.7270/Q2MS3RT4
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM323046
PNG
((1R,2R)-N-(2-Methyl-4-oxo-4,5,6,7- tetrahydropyraz...)
Show SMILES Cc1nn2CCNC(=O)c2c1NC(=O)[C@@H]1CCCC[C@H]1C(=O)c1ccc(cc1)-c1cc[nH]n1
Show InChI InChI=1S/C24H26N6O3/c1-14-20(21-24(33)25-12-13-30(21)29-14)27-23(32)18-5-3-2-4-17(18)22(31)16-8-6-15(7-9-16)19-10-11-26-28-19/h6-11,17-18H,2-5,12-13H2,1H3,(H,25,33)(H,26,28)(H,27,32)/t17-,18-/m1/s1
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US Patent
n/an/a 4.80n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...


US Patent US10183947 (2019)

More data for this
Ligand-Target Pair
Arachidonate 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)


Article DOI: 10.1021/jm00092a001
BindingDB Entry DOI: 10.7270/Q23B60R4
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50283416
PNG
(4-[7-(2,3-Dihydroxy-phenyl)-heptyloxy]-2-hydroxy-3...)
Show SMILES CCCc1c(O)c(ccc1OCCCCCCCc1cccc(O)c1O)C(O)=O
Show InChI InChI=1S/C23H30O6/c1-2-9-17-20(14-13-18(22(17)26)23(27)28)29-15-7-5-3-4-6-10-16-11-8-12-19(24)21(16)25/h8,11-14,24-26H,2-7,9-10,15H2,1H3,(H,27,28)
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase from rat basophilic leukemia(RBL-1) cells


Bioorg Med Chem Lett 4: 339-344 (1994)


Article DOI: 10.1016/S0960-894X(01)80140-2
BindingDB Entry DOI: 10.7270/Q2W095WT
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Mus musculus)
BDBM50000832
PNG
(2-{1-Methoxy-1-[3-(naphthalen-2-ylmethoxy)-phenyl]...)
Show SMILES COC(C)(c1nccs1)c1cccc(OCc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C23H21NO2S/c1-23(25-2,22-24-12-13-27-22)20-8-5-9-21(15-20)26-16-17-10-11-18-6-3-4-7-19(18)14-17/h3-15H,16H2,1-2H3
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n/an/a 5n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in mouse macrophages.


J Med Chem 34: 2176-86 (1991)


Article DOI: 10.1021/jm00111a038
BindingDB Entry DOI: 10.7270/Q2S46QX6
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Mus musculus)
BDBM50043677
PNG
((S)-2-[3-Fluoro-5-(naphthalen-2-ylmethoxy)-phenyl]...)
Show SMILES CC[C@@](OC)(C(=O)OC)c1cc(F)cc(OCc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C23H23FO4/c1-4-23(27-3,22(25)26-2)19-12-20(24)14-21(13-19)28-15-16-9-10-17-7-5-6-8-18(17)11-16/h5-14H,4,15H2,1-3H3/t23-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase from mouse macrophage


J Med Chem 37: 113-24 (1994)


Article DOI: 10.1021/jm00027a014
BindingDB Entry DOI: 10.7270/Q2JW8CZP
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042971
PNG
(3-(3,4-Dihydroxy-phenyl)-1-(5-ethoxy-2-hydroxy-phe...)
Show SMILES CCOc1ccc(O)c(c1)C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C17H16O5/c1-2-22-12-5-8-15(19)13(10-12)14(18)6-3-11-4-7-16(20)17(21)9-11/h3-10,19-21H,2H2,1H3/b6-3+
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n/an/a 5.30n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined


J Med Chem 36: 3904-9 (1994)


Article DOI: 10.1021/jm00076a019
BindingDB Entry DOI: 10.7270/Q2MS3RT4
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50283408
PNG
(4-[5-(2,3-Dihydroxy-phenyl)-pentyloxy]-2-hydroxy-3...)
Show SMILES CCCc1c(O)c(ccc1OCCCCCc1cccc(O)c1O)C(O)=O
Show InChI InChI=1S/C21H26O6/c1-2-7-15-18(12-11-16(20(15)24)21(25)26)27-13-5-3-4-8-14-9-6-10-17(22)19(14)23/h6,9-12,22-24H,2-5,7-8,13H2,1H3,(H,25,26)
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n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase from rat basophilic leukemia(RBL-1) cells


Bioorg Med Chem Lett 4: 339-344 (1994)


Article DOI: 10.1016/S0960-894X(01)80140-2
BindingDB Entry DOI: 10.7270/Q2W095WT
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Mus musculus)
BDBM50007052
PNG
(1-[3-(3-Phenyl-allyloxy)-phenyl]-1-thiazol-2-yl-pr...)
Show SMILES CCC(O)(c1nccs1)c1cccc(OC\C=C\c2ccccc2)c1
Show InChI InChI=1S/C21H21NO2S/c1-2-21(23,20-22-13-15-25-20)18-11-6-12-19(16-18)24-14-7-10-17-8-4-3-5-9-17/h3-13,15-16,23H,2,14H2,1H3/b10-7+
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n/an/a 6n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in mouse macrophages.


J Med Chem 34: 2176-86 (1991)


Article DOI: 10.1021/jm00111a038
BindingDB Entry DOI: 10.7270/Q2S46QX6
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50004425
PNG
(CHEMBL3238207)
Show SMILES Cc1cccc(OC(=O)c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)c1
Show InChI InChI=1S/C14H10N2O6/c1-9-3-2-4-13(5-9)22-14(17)10-6-11(15(18)19)8-12(7-10)16(20)21/h2-8H,1H3
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n/an/a 6n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of human 5-LOX using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition by H2DCFDA staining-based fluor...


Bioorg Med Chem 22: 2396-402 (2014)


Article DOI: 10.1016/j.bmc.2014.03.008
BindingDB Entry DOI: 10.7270/Q2X63PF9
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM323023
PNG
((1R,2R)-2-[4-(3-Methyl-1H-pyrazol-5- yl)benzoyl]-N...)
Show SMILES Cc1cc([nH]n1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cnn2CCNC(=O)c12
Show InChI InChI=1S/C24H26N6O3/c1-14-12-19(29-28-14)15-6-8-16(9-7-15)22(31)17-4-2-3-5-18(17)23(32)27-20-13-26-30-11-10-25-24(33)21(20)30/h6-9,12-13,17-18H,2-5,10-11H2,1H3,(H,25,33)(H,27,32)(H,28,29)/t17-,18-/m1/s1
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US Patent
n/an/a 6.30n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...


US Patent US10183947 (2019)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042945
PNG
(3-(3,4-Dihydroxy-phenyl)-1-(3-methoxy-phenyl)-prop...)
Show SMILES COc1cccc(c1)C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C16H14O4/c1-20-13-4-2-3-12(10-13)14(17)7-5-11-6-8-15(18)16(19)9-11/h2-10,18-19H,1H3/b7-5+
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n/an/a 6.5n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined


J Med Chem 36: 3904-9 (1994)


Article DOI: 10.1021/jm00076a019
BindingDB Entry DOI: 10.7270/Q2MS3RT4
More data for this
Ligand-Target Pair
Arachidonate 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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n/an/a 6.90n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined


J Med Chem 36: 3904-9 (1994)


Article DOI: 10.1021/jm00076a019
BindingDB Entry DOI: 10.7270/Q2MS3RT4
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50085160
PNG
(CHEMBL32842 | L-674636 | {4-(4-Chloro-phenyl)-1-[4...)
Show SMILES OC(=O)CSC(CCCc1ccc(Cl)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C28H26ClNO3S/c29-23-13-8-20(9-14-23)4-3-7-27(34-19-28(31)32)22-11-16-25(17-12-22)33-18-24-15-10-21-5-1-2-6-26(21)30-24/h1-2,5-6,8-17,27H,3-4,7,18-19H2,(H,31,32)
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n/an/a 7n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of calcium ionophore (A-23187)-stimulated LTB4 formation in human neutrophil assay


J Med Chem 43: 690-705 (2000)


Article DOI: 10.1021/jm9904102
BindingDB Entry DOI: 10.7270/Q2HD7WCR
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50016991
PNG
(7-Fluoro-2-(4-methoxy-benzyl)-3-methyl-5-propyl-be...)
Show SMILES CCCc1cc(F)c2oc(Cc3ccc(OC)cc3)c(C)c2c1O
Show InChI InChI=1S/C20H21FO3/c1-4-5-14-11-16(21)20-18(19(14)22)12(2)17(24-20)10-13-6-8-15(23-3)9-7-13/h6-9,11,22H,4-5,10H2,1-3H3
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n/an/a 7n/an/an/an/an/an/a



Merck Frosst Canada Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50 % inhibition of leukotriene B4 production in human PMN compared with controls in the absence of compound


J Med Chem 32: 1190-7 (1989)


Article DOI: 10.1021/jm00126a008
BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042968
PNG
(3-(3,4-Dihydroxy-phenyl)-1-(2,5-dimethoxy-phenyl)-...)
Show SMILES COc1ccc(OC)c(c1)C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C17H16O5/c1-21-12-5-8-17(22-2)13(10-12)14(18)6-3-11-4-7-15(19)16(20)9-11/h3-10,19-20H,1-2H3/b6-3+
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n/an/a 7.80n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined


J Med Chem 36: 3904-9 (1994)


Article DOI: 10.1021/jm00076a019
BindingDB Entry DOI: 10.7270/Q2MS3RT4
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50331806
PNG
(CHEMBL1290649 | methyl 3-phenyl-6-((4-(1,1,1-trifl...)
Show SMILES CCC(O)(c1cn(Cc2ccc3c(c(sc3c2)C(=O)OC)-c2ccccc2)nn1)C(F)(F)F
Show InChI InChI=1S/C23H20F3N3O3S/c1-3-22(31,23(24,25)26)18-13-29(28-27-18)12-14-9-10-16-17(11-14)33-20(21(30)32-2)19(16)15-7-5-4-6-8-15/h4-11,13,31H,3,12H2,1-2H3
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n/an/a 7.90n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-lipoxygenase assessed as arachidonic acid oxidation


Bioorg Med Chem Lett 20: 7440-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.024
BindingDB Entry DOI: 10.7270/Q2XG9RC8
More data for this
Ligand-Target Pair
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