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PubMed code 8410991

Compile data set for download or QSAR
Found 88 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


(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))
BDBM50041161
PNG
(1-(4-Chloro-benzyl)-2-[2,2-dimethyl-3-(1H-tetrazol...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)Cc4nnn[nH]4)c(S1)c23
Show InChI InChI=1S/C36H35ClN6OS/c1-23-17-29-32(44-22-28-14-11-26(20-38-28)25-7-5-4-6-8-25)16-15-30-34(29)35(45-23)31(18-36(2,3)19-33-39-41-42-40-33)43(30)21-24-9-12-27(37)13-10-24/h4-16,20,23H,17-19,21-22H2,1-3H3,(H,39,40,41,42)
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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
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))
BDBM50045654
PNG
(CHEMBL96253 | N-{4-[1-(4-Chloro-benzyl)-4-methyl-6...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)CC(=O)NS(C)(=O)=O)c(S1)c23
Show InChI InChI=1S/C37H38ClN3O4S2/c1-24-18-30-33(45-23-29-15-12-27(21-39-29)26-8-6-5-7-9-26)17-16-31-35(30)36(46-24)32(41(31)22-25-10-13-28(38)14-11-25)19-37(2,3)20-34(42)40-47(4,43)44/h5-17,21,24H,18-20,22-23H2,1-4H3,(H,40,42)
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n/an/a 11n/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))
BDBM50045679
PNG
(1-(4-Chloro-benzyl)-2-[2,2-dimethyl-3-(1H-tetrazol...)
Show SMILES CC1Cc2c(SCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)Cc4nnn[nH]4)c(S1)c23
Show InChI InChI=1S/C36H35ClN6S2/c1-23-17-29-32(44-22-28-14-11-26(20-38-28)25-7-5-4-6-8-25)16-15-30-34(29)35(45-23)31(18-36(2,3)19-33-39-41-42-40-33)43(30)21-24-9-12-27(37)13-10-24/h4-16,20,23H,17-19,21-22H2,1-3H3,(H,39,40,41,42)
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n/an/a 11n/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))
BDBM50045663
PNG
(4-[1-(4-Chloro-benzyl)-4-methyl-6-(5-phenyl-pyridi...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)CC(O)=O)c(S1)c23
Show InChI InChI=1S/C36H35ClN2O3S/c1-23-17-29-32(42-22-28-14-11-26(20-38-28)25-7-5-4-6-8-25)16-15-30-34(29)35(43-23)31(18-36(2,3)19-33(40)41)39(30)21-24-9-12-27(37)13-10-24/h4-16,20,23H,17-19,21-22H2,1-3H3,(H,40,41)
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n/an/a 12n/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))
BDBM50045640
PNG
(3-[1-(4-Chloro-benzyl)-6-(5-methoxy-pyridin-2-ylme...)
Show SMILES COc1ccc(COc2ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)C(O)=O)c4SC(C)Cc2c34)nc1
Show InChI InChI=1S/C30H31ClN2O4S/c1-18-13-23-26(37-17-21-9-10-22(36-4)15-32-21)12-11-24-27(23)28(38-18)25(14-30(2,3)29(34)35)33(24)16-19-5-7-20(31)8-6-19/h5-12,15,18H,13-14,16-17H2,1-4H3,(H,34,35)
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n/an/a 12n/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))
BDBM50045657
PNG
(2,2-Dimethyl-3-[4-methyl-6-(5-phenyl-pyridin-2-ylm...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(cn4)-c4ccccc4)c(CC(C)(C)C(O)=O)c(S1)c23
Show InChI InChI=1S/C40H37N3O3S/c1-26-20-33-36(46-25-32-17-15-30(23-42-32)28-12-8-5-9-13-28)19-18-34-37(33)38(47-26)35(21-40(2,3)39(44)45)43(34)24-31-16-14-29(22-41-31)27-10-6-4-7-11-27/h4-19,22-23,26H,20-21,24-25H2,1-3H3,(H,44,45)
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n/an/a 16n/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


(Rattus norvegicus)
BDBM50041161
PNG
(1-(4-Chloro-benzyl)-2-[2,2-dimethyl-3-(1H-tetrazol...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)Cc4nnn[nH]4)c(S1)c23
Show InChI InChI=1S/C36H35ClN6OS/c1-23-17-29-32(44-22-28-14-11-26(20-38-28)25-7-5-4-6-8-25)16-15-30-34(29)35(45-23)31(18-36(2,3)19-33-39-41-42-40-33)43(30)21-24-9-12-27(37)13-10-24/h4-16,20,23H,17-19,21-22H2,1-3H3,(H,39,40,41,42)
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n/an/a 16n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Tested for inhibition of 5-HPETE production by rat 5-LO; value ranges from 16-36 nM


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


(Rattus norvegicus)
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 16n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro test for inhibition of 5-lipoxygenase in cell-free preparations from rat PMN 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


(Rattus norvegicus)
BDBM50041161
PNG
(1-(4-Chloro-benzyl)-2-[2,2-dimethyl-3-(1H-tetrazol...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)Cc4nnn[nH]4)c(S1)c23
Show InChI InChI=1S/C36H35ClN6OS/c1-23-17-29-32(44-22-28-14-11-26(20-38-28)25-7-5-4-6-8-25)16-15-30-34(29)35(45-23)31(18-36(2,3)19-33-39-41-42-40-33)43(30)21-24-9-12-27(37)13-10-24/h4-16,20,23H,17-19,21-22H2,1-3H3,(H,39,40,41,42)
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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
In vitro test for inhibition of 5-lipoxygenase in cell-free preparations from rat PMN 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))
BDBM50045647
PNG
(5-[1-(4-Chloro-benzyl)-4-methyl-6-(5-phenyl-pyridi...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)CCC(O)=O)c(S1)c23
Show InChI InChI=1S/C37H37ClN2O3S/c1-24-19-30-33(43-23-29-14-11-27(21-39-29)26-7-5-4-6-8-26)16-15-31-35(30)36(44-24)32(20-37(2,3)18-17-34(41)42)40(31)22-25-9-12-28(38)13-10-25/h4-16,21,24H,17-20,22-23H2,1-3H3,(H,41,42)
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n/an/a 19n/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
5-lipoxygenase/FLAP


(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 19n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Tested for inhibition of leukotriene biosynthesis by binding to 5-lipoxygenase activating protein


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))
BDBM50045664
PNG
(3-[1-(4-Chloro-benzyl)-6-(isoquinolin-3-ylmethoxy)...)
Show SMILES CC1Cc2c(OCc3cc4ccccc4cn3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)C(O)=O)c(S1)c23
Show InChI InChI=1S/C33H31ClN2O3S/c1-20-14-26-29(39-19-25-15-22-6-4-5-7-23(22)17-35-25)13-12-27-30(26)31(40-20)28(16-33(2,3)32(37)38)36(27)18-21-8-10-24(34)11-9-21/h4-13,15,17,20H,14,16,18-19H2,1-3H3,(H,37,38)
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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
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


(Rattus norvegicus)
BDBM50045663
PNG
(4-[1-(4-Chloro-benzyl)-4-methyl-6-(5-phenyl-pyridi...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)CC(O)=O)c(S1)c23
Show InChI InChI=1S/C36H35ClN2O3S/c1-23-17-29-32(42-22-28-14-11-26(20-38-28)25-7-5-4-6-8-25)16-15-30-34(29)35(43-23)31(18-36(2,3)19-33(40)41)39(30)21-24-9-12-27(37)13-10-24/h4-16,20,23H,17-19,21-22H2,1-3H3,(H,40,41)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro test for inhibition of 5-lipoxygenase in cell-free preparations from rat PMN 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))
BDBM50045667
PNG
(3-[1-(4-Chloro-benzyl)-4-methyl-6-(5-phenyl-pyridi...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)C(O)=O)c(S1)c23
Show InChI InChI=1S/C35H33ClN2O3S/c1-22-17-28-31(41-21-27-14-11-25(19-37-27)24-7-5-4-6-8-24)16-15-29-32(28)33(42-22)30(18-35(2,3)34(39)40)38(29)20-23-9-12-26(36)13-10-23/h4-16,19,22H,17-18,20-21H2,1-3H3,(H,39,40)
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n/an/a 22n/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))
BDBM50045638
PNG
(4-[1-(4-Chloro-benzyl)-4-methyl-6-(5-phenyl-pyridi...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CCC(C)(C)C(O)=O)c(S1)c23
Show InChI InChI=1S/C36H35ClN2O3S/c1-23-19-29-32(42-22-28-14-11-26(20-38-28)25-7-5-4-6-8-25)16-15-30-33(29)34(43-23)31(17-18-36(2,3)35(40)41)39(30)21-24-9-12-27(37)13-10-24/h4-16,20,23H,17-19,21-22H2,1-3H3,(H,40,41)
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n/an/a 23n/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))
BDBM50045637
PNG
(2,2-Dimethyl-3-[4-methyl-1-(3-phenyl-propyl)-6-(5-...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(CCCc4ccccc4)c(CC(C)(C)C(O)=O)c(S1)c23
Show InChI InChI=1S/C37H38N2O3S/c1-25-21-30-33(42-24-29-17-16-28(23-38-29)27-14-8-5-9-15-27)19-18-31-34(30)35(43-25)32(22-37(2,3)36(40)41)39(31)20-10-13-26-11-6-4-7-12-26/h4-9,11-12,14-19,23,25H,10,13,20-22,24H2,1-3H3,(H,40,41)
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n/an/a 23n/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))
BDBM50045653
PNG
(3-[1-(4-Chloro-benzyl)-4-methyl-6-(6-phenyl-pyridi...)
Show SMILES CC1Cc2c(OCc3cccc(n3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)C(O)=O)c(S1)c23
Show InChI InChI=1S/C35H33ClN2O3S/c1-22-18-27-31(41-21-26-10-7-11-28(37-26)24-8-5-4-6-9-24)17-16-29-32(27)33(42-22)30(19-35(2,3)34(39)40)38(29)20-23-12-14-25(36)15-13-23/h4-17,22H,18-21H2,1-3H3,(H,39,40)
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n/an/a 27n/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))
BDBM50045669
PNG
(3-[1-(3-Methoxy-benzyl)-4-methyl-6-(5-phenyl-pyrid...)
Show SMILES COc1cccc(Cn2c(CC(C)(C)C(O)=O)c3SC(C)Cc4c(OCc5ccc(cn5)-c5ccccc5)ccc2c34)c1
Show InChI InChI=1S/C36H36N2O4S/c1-23-17-29-32(42-22-27-14-13-26(20-37-27)25-10-6-5-7-11-25)16-15-30-33(29)34(43-23)31(19-36(2,3)35(39)40)38(30)21-24-9-8-12-28(18-24)41-4/h5-16,18,20,23H,17,19,21-22H2,1-4H3,(H,39,40)
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n/an/a 28n/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))
BDBM50045666
PNG
(3-[1-(4-Chloro-benzyl)-4-methyl-6-(thiophen-2-ylme...)
Show SMILES CC1Cc2c(OCc3cccs3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)C(O)=O)c(S1)c23
Show InChI InChI=1S/C28H28ClNO3S2/c1-17-13-21-24(33-16-20-5-4-12-34-20)11-10-22-25(21)26(35-17)23(14-28(2,3)27(31)32)30(22)15-18-6-8-19(29)9-7-18/h4-12,17H,13-16H2,1-3H3,(H,31,32)
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n/an/a 28n/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))
BDBM50045675
PNG
(3-[1-(4-Methoxy-benzyl)-4-methyl-6-(5-phenyl-pyrid...)
Show SMILES COc1ccc(Cn2c(CC(C)(C)C(O)=O)c3SC(C)Cc4c(OCc5ccc(cn5)-c5ccccc5)ccc2c34)cc1
Show InChI InChI=1S/C36H36N2O4S/c1-23-18-29-32(42-22-27-13-12-26(20-37-27)25-8-6-5-7-9-25)17-16-30-33(29)34(43-23)31(19-36(2,3)35(39)40)38(30)21-24-10-14-28(41-4)15-11-24/h5-17,20,23H,18-19,21-22H2,1-4H3,(H,39,40)
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n/an/a 28n/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


(Rattus norvegicus)
BDBM50045657
PNG
(2,2-Dimethyl-3-[4-methyl-6-(5-phenyl-pyridin-2-ylm...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(cn4)-c4ccccc4)c(CC(C)(C)C(O)=O)c(S1)c23
Show InChI InChI=1S/C40H37N3O3S/c1-26-20-33-36(46-25-32-17-15-30(23-42-32)28-12-8-5-9-13-28)19-18-34-37(33)38(47-26)35(21-40(2,3)39(44)45)43(34)24-31-16-14-29(22-41-31)27-10-6-4-7-11-27/h4-19,22-23,26H,20-21,24-25H2,1-3H3,(H,44,45)
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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
In vitro test for inhibition of 5-lipoxygenase in cell-free preparations from rat PMN 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))
BDBM50045652
PNG
(3-[1-Cyclohexylmethyl-4-methyl-6-(5-phenyl-pyridin...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(CC4CCCCC4)c(CC(C)(C)C(O)=O)c(S1)c23
Show InChI InChI=1S/C35H40N2O3S/c1-23-18-28-31(40-22-27-15-14-26(20-36-27)25-12-8-5-9-13-25)17-16-29-32(28)33(41-23)30(19-35(2,3)34(38)39)37(29)21-24-10-6-4-7-11-24/h5,8-9,12-17,20,23-24H,4,6-7,10-11,18-19,21-22H2,1-3H3,(H,38,39)
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n/an/a 33n/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))
BDBM50045678
PNG
(3-[1-(4-Chloro-benzyl)-4-ethyl-6-(5-phenyl-pyridin...)
Show SMILES CCC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)C(O)=O)c(S1)c23
Show InChI InChI=1S/C36H35ClN2O3S/c1-4-28-18-29-32(42-22-27-15-12-25(20-38-27)24-8-6-5-7-9-24)17-16-30-33(29)34(43-28)31(19-36(2,3)35(40)41)39(30)21-23-10-13-26(37)14-11-23/h5-17,20,28H,4,18-19,21-22H2,1-3H3,(H,40,41)
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n/an/a 33n/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))
BDBM50045646
PNG
(3-[1-(4-Chloro-benzyl)-4-methyl-6-(pyridin-2-ylmet...)
Show SMILES CC1Cc2c(OCc3ccccn3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)C(O)=O)c(S1)c23
Show InChI InChI=1S/C29H29ClN2O3S/c1-18-14-22-25(35-17-21-6-4-5-13-31-21)12-11-23-26(22)27(36-18)24(15-29(2,3)28(33)34)32(23)16-19-7-9-20(30)10-8-19/h4-13,18H,14-17H2,1-3H3,(H,33,34)
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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
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


(Rattus norvegicus)
BDBM50045652
PNG
(3-[1-Cyclohexylmethyl-4-methyl-6-(5-phenyl-pyridin...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(CC4CCCCC4)c(CC(C)(C)C(O)=O)c(S1)c23
Show InChI InChI=1S/C35H40N2O3S/c1-23-18-28-31(40-22-27-15-14-26(20-36-27)25-12-8-5-9-13-25)17-16-29-32(28)33(41-23)30(19-35(2,3)34(38)39)37(29)21-24-10-6-4-7-11-24/h5,8-9,12-17,20,23-24H,4,6-7,10-11,18-19,21-22H2,1-3H3,(H,38,39)
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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
In vitro test for inhibition of 5-lipoxygenase in cell-free preparations from rat PMN 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


(Rattus norvegicus)
BDBM50045637
PNG
(2,2-Dimethyl-3-[4-methyl-1-(3-phenyl-propyl)-6-(5-...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(CCCc4ccccc4)c(CC(C)(C)C(O)=O)c(S1)c23
Show InChI InChI=1S/C37H38N2O3S/c1-25-21-30-33(42-24-29-17-16-28(23-38-29)27-14-8-5-9-15-27)19-18-31-34(30)35(43-25)32(22-37(2,3)36(40)41)39(31)20-10-13-26-11-6-4-7-12-26/h4-9,11-12,14-19,23,25H,10,13,20-22,24H2,1-3H3,(H,40,41)
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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
In vitro test for inhibition of 5-lipoxygenase in cell-free preparations from rat PMN 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


(Rattus norvegicus)
BDBM50045654
PNG
(CHEMBL96253 | N-{4-[1-(4-Chloro-benzyl)-4-methyl-6...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)CC(=O)NS(C)(=O)=O)c(S1)c23
Show InChI InChI=1S/C37H38ClN3O4S2/c1-24-18-30-33(45-23-29-15-12-27(21-39-29)26-8-6-5-7-9-26)17-16-31-35(30)36(46-24)32(41(31)22-25-10-13-28(38)14-11-25)19-37(2,3)20-34(42)40-47(4,43)44/h5-17,21,24H,18-20,22-23H2,1-4H3,(H,40,42)
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n/an/a 36n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro test for inhibition of 5-lipoxygenase in cell-free preparations from rat PMN 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))
BDBM50045660
PNG
(CHEMBL96342 | [1-(4-Chloro-benzyl)-4-methyl-6-(5-p...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(O)=O)c(S1)c23
Show InChI InChI=1S/C32H27ClN2O3S/c1-20-15-26-29(38-19-25-12-9-23(17-34-25)22-5-3-2-4-6-22)14-13-27-31(26)32(39-20)28(16-30(36)37)35(27)18-21-7-10-24(33)11-8-21/h2-14,17,20H,15-16,18-19H2,1H3,(H,36,37)
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n/an/a 37n/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))
BDBM50045677
PNG
(3-[1-(4-Chloro-benzyl)-4-methyl-6-(5-phenyl-pyridi...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CCC(O)=O)c(S1)c23
Show InChI InChI=1S/C33H29ClN2O3S/c1-21-17-27-30(39-20-26-12-9-24(18-35-26)23-5-3-2-4-6-23)15-13-28-32(27)33(40-21)29(14-16-31(37)38)36(28)19-22-7-10-25(34)11-8-22/h2-13,15,18,21H,14,16-17,19-20H2,1H3,(H,37,38)
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n/an/a 38n/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
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50045640
PNG
(3-[1-(4-Chloro-benzyl)-6-(5-methoxy-pyridin-2-ylme...)
Show SMILES COc1ccc(COc2ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)C(O)=O)c4SC(C)Cc2c34)nc1
Show InChI InChI=1S/C30H31ClN2O4S/c1-18-13-23-26(37-17-21-9-10-22(36-4)15-32-21)12-11-24-27(23)28(38-18)25(14-30(2,3)29(34)35)33(24)16-19-5-7-20(31)8-6-19/h5-12,15,18H,13-14,16-17H2,1-4H3,(H,34,35)
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n/an/a 40n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Tested for inhibition of leukotriene biosynthesis by binding to 5-lipoxygenase activating protein


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


(Rattus norvegicus)
BDBM50045669
PNG
(3-[1-(3-Methoxy-benzyl)-4-methyl-6-(5-phenyl-pyrid...)
Show SMILES COc1cccc(Cn2c(CC(C)(C)C(O)=O)c3SC(C)Cc4c(OCc5ccc(cn5)-c5ccccc5)ccc2c34)c1
Show InChI InChI=1S/C36H36N2O4S/c1-23-17-29-32(42-22-27-14-13-26(20-37-27)25-10-6-5-7-11-25)16-15-30-33(29)34(43-23)31(19-36(2,3)35(39)40)38(30)21-24-9-8-12-28(18-24)41-4/h5-16,18,20,23H,17,19,21-22H2,1-4H3,(H,39,40)
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n/an/a 40n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro test for inhibition of 5-lipoxygenase in cell-free preparations from rat PMN 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


(Rattus norvegicus)
BDBM50045675
PNG
(3-[1-(4-Methoxy-benzyl)-4-methyl-6-(5-phenyl-pyrid...)
Show SMILES COc1ccc(Cn2c(CC(C)(C)C(O)=O)c3SC(C)Cc4c(OCc5ccc(cn5)-c5ccccc5)ccc2c34)cc1
Show InChI InChI=1S/C36H36N2O4S/c1-23-18-29-32(42-22-27-13-12-26(20-37-27)25-8-6-5-7-9-25)17-16-30-33(29)34(43-23)31(19-36(2,3)35(39)40)38(30)21-24-10-14-28(41-4)15-11-24/h5-17,20,23H,18-19,21-22H2,1-4H3,(H,39,40)
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n/an/a 40n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro test for inhibition of 5-lipoxygenase in cell-free preparations from rat PMN 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))
BDBM50045672
PNG
(3-[6-(5-Butyl-pyridin-2-ylmethoxy)-1-(4-chloro-ben...)
Show SMILES CCCCc1ccc(COc2ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)C(O)=O)c4SC(C)Cc2c34)nc1
Show InChI InChI=1S/C33H37ClN2O3S/c1-5-6-7-22-10-13-25(35-18-22)20-39-29-15-14-27-30-26(29)16-21(2)40-31(30)28(17-33(3,4)32(37)38)36(27)19-23-8-11-24(34)12-9-23/h8-15,18,21H,5-7,16-17,19-20H2,1-4H3,(H,37,38)
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n/an/a 42n/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


(Rattus norvegicus)
BDBM50045656
PNG
(2,2-Dimethyl-3-[4-methyl-6-(5-phenyl-pyridin-2-ylm...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccccn4)c(CC(C)(C)C(O)=O)c(S1)c23
Show InChI InChI=1S/C34H33N3O3S/c1-22-17-27-30(40-21-26-13-12-24(19-36-26)23-9-5-4-6-10-23)15-14-28-31(27)32(41-22)29(18-34(2,3)33(38)39)37(28)20-25-11-7-8-16-35-25/h4-16,19,22H,17-18,20-21H2,1-3H3,(H,38,39)
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n/an/a 45n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro test for inhibition of 5-lipoxygenase in cell-free preparations from rat PMN 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))
BDBM50045658
PNG
(1-(4-Chloro-benzyl)-2-[2,2-dimethyl-3-(1H-tetrazol...)
Show SMILES CC1Cc2c(OCCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)Cc4nnn[nH]4)c(S1)c23
Show InChI InChI=1S/C37H37ClN6OS/c1-24-19-30-33(45-18-17-29-14-11-27(22-39-29)26-7-5-4-6-8-26)16-15-31-35(30)36(46-24)32(20-37(2,3)21-34-40-42-43-41-34)44(31)23-25-9-12-28(38)13-10-25/h4-16,22,24H,17-21,23H2,1-3H3,(H,40,41,42,43)
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n/an/a 46n/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


(Rattus norvegicus)
BDBM50045667
PNG
(3-[1-(4-Chloro-benzyl)-4-methyl-6-(5-phenyl-pyridi...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)C(O)=O)c(S1)c23
Show InChI InChI=1S/C35H33ClN2O3S/c1-22-17-28-31(41-21-27-14-11-25(19-37-27)24-7-5-4-6-8-24)16-15-29-32(28)33(42-22)30(18-35(2,3)34(39)40)38(29)20-23-9-12-26(36)13-10-23/h4-16,19,22H,17-18,20-21H2,1-3H3,(H,39,40)
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n/an/a 60n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro test for inhibition of 5-lipoxygenase in cell-free preparations from rat PMN 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))
BDBM50045670
PNG
(3-[1-(4-Chloro-benzyl)-6-(5-cyano-pyridin-2-ylmeth...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)C#N)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)C(O)=O)c(S1)c23
Show InChI InChI=1S/C30H28ClN3O3S/c1-18-12-23-26(37-17-22-9-6-20(14-32)15-33-22)11-10-24-27(23)28(38-18)25(13-30(2,3)29(35)36)34(24)16-19-4-7-21(31)8-5-19/h4-11,15,18H,12-13,16-17H2,1-3H3,(H,35,36)
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n/an/a 66n/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


(Rattus norvegicus)
BDBM50045639
PNG
(CHEMBL274824 | N-{4-[1-(4-Chloro-benzyl)-4-methyl-...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)CC(=O)NS(=O)(=O)C(F)(F)F)c(S1)c23
Show InChI InChI=1S/C37H35ClF3N3O4S2/c1-23-17-29-32(48-22-28-14-11-26(20-42-28)25-7-5-4-6-8-25)16-15-30-34(29)35(49-23)31(44(30)21-24-9-12-27(38)13-10-24)18-36(2,3)19-33(45)43-50(46,47)37(39,40)41/h4-16,20,23H,17-19,21-22H2,1-3H3,(H,43,45)
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n/an/a 67n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro test for inhibition of 5-lipoxygenase in cell-free preparations from rat PMN 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))
BDBM50041161
PNG
(1-(4-Chloro-benzyl)-2-[2,2-dimethyl-3-(1H-tetrazol...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)Cc4nnn[nH]4)c(S1)c23
Show InChI InChI=1S/C36H35ClN6OS/c1-23-17-29-32(44-22-28-14-11-26(20-38-28)25-7-5-4-6-8-25)16-15-30-34(29)35(45-23)31(18-36(2,3)19-33-39-41-42-40-33)43(30)21-24-9-12-27(37)13-10-24/h4-16,20,23H,17-19,21-22H2,1-3H3,(H,39,40,41,42)
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n/an/a 75n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Tested for inhibition of 5-HPETE production by human 5-LO


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))
BDBM50045674
PNG
(3-[1-(4-Chloro-benzyl)-4-methyl-6-(4-phenyl-pyridi...)
Show SMILES CC1Cc2c(OCc3cc(ccn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)C(O)=O)c(S1)c23
Show InChI InChI=1S/C35H33ClN2O3S/c1-22-17-28-31(41-21-27-18-25(15-16-37-27)24-7-5-4-6-8-24)14-13-29-32(28)33(42-22)30(19-35(2,3)34(39)40)38(29)20-23-9-11-26(36)12-10-23/h4-16,18,22H,17,19-21H2,1-3H3,(H,39,40)
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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
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))
BDBM50045676
PNG
(3-[1-(4-Chloro-benzyl)-4,4-dimethyl-6-(5-phenyl-py...)
Show SMILES CC(C)(Cc1c2SC(C)(C)Cc3c(OCc4ccc(cn4)-c4ccccc4)ccc(n1Cc1ccc(Cl)cc1)c23)C(O)=O
Show InChI InChI=1S/C36H35ClN2O3S/c1-35(2,34(40)41)19-30-33-32-28(18-36(3,4)43-33)31(17-16-29(32)39(30)21-23-10-13-26(37)14-11-23)42-22-27-15-12-25(20-38-27)24-8-6-5-7-9-24/h5-17,20H,18-19,21-22H2,1-4H3,(H,40,41)
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n/an/a 88n/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))
BDBM50045645
PNG
(3-[1-Butyl-4-methyl-6-(5-phenyl-pyridin-2-ylmethox...)
Show SMILES CCCCn1c(CC(C)(C)C(O)=O)c2SC(C)Cc3c(OCc4ccc(cn4)-c4ccccc4)ccc1c23
Show InChI InChI=1S/C32H36N2O3S/c1-5-6-16-34-26-14-15-28(37-20-24-13-12-23(19-33-24)22-10-8-7-9-11-22)25-17-21(2)38-30(29(25)26)27(34)18-32(3,4)31(35)36/h7-15,19,21H,5-6,16-18,20H2,1-4H3,(H,35,36)
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n/an/a 95n/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))
BDBM50045680
PNG
(1-(4-Chloro-benzyl)-4-methyl-6-(5-phenyl-pyridin-2...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(C(O)=O)c(S1)c23
Show InChI InChI=1S/C31H25ClN2O3S/c1-19-15-25-27(37-18-24-12-9-22(16-33-24)21-5-3-2-4-6-21)14-13-26-28(25)30(38-19)29(31(35)36)34(26)17-20-7-10-23(32)11-8-20/h2-14,16,19H,15,17-18H2,1H3,(H,35,36)
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n/an/a 97n/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))
BDBM50045659
PNG
(3-[1-(4-Chloro-benzyl)-6-(5-phenyl-pyridin-2-ylmet...)
Show SMILES CC(C)(Cc1c2SCCc3c(OCc4ccc(cn4)-c4ccccc4)ccc(n1Cc1ccc(Cl)cc1)c23)C(O)=O
Show InChI InChI=1S/C34H31ClN2O3S/c1-34(2,33(38)39)18-29-32-31-27(16-17-41-32)30(15-14-28(31)37(29)20-22-8-11-25(35)12-9-22)40-21-26-13-10-24(19-36-26)23-6-4-3-5-7-23/h3-15,19H,16-18,20-21H2,1-2H3,(H,38,39)
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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
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
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50045646
PNG
(3-[1-(4-Chloro-benzyl)-4-methyl-6-(pyridin-2-ylmet...)
Show SMILES CC1Cc2c(OCc3ccccn3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)C(O)=O)c(S1)c23
Show InChI InChI=1S/C29H29ClN2O3S/c1-18-14-22-25(35-17-21-6-4-5-13-31-21)12-11-23-26(22)27(36-18)24(15-29(2,3)28(33)34)32(23)16-19-7-9-20(30)10-8-19/h4-13,18H,14-17H2,1-3H3,(H,33,34)
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n/an/a 110n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Tested for inhibition of leukotriene biosynthesis by binding to 5-lipoxygenase activating protein


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))
BDBM50045656
PNG
(2,2-Dimethyl-3-[4-methyl-6-(5-phenyl-pyridin-2-ylm...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccccn4)c(CC(C)(C)C(O)=O)c(S1)c23
Show InChI InChI=1S/C34H33N3O3S/c1-22-17-27-30(40-21-26-13-12-24(19-36-26)23-9-5-4-6-10-23)15-14-28-31(27)32(41-22)29(18-34(2,3)33(38)39)37(28)20-25-11-7-8-16-35-25/h4-16,19,22H,17-18,20-21H2,1-3H3,(H,38,39)
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n/an/a 110n/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


(Rattus norvegicus)
BDBM50045679
PNG
(1-(4-Chloro-benzyl)-2-[2,2-dimethyl-3-(1H-tetrazol...)
Show SMILES CC1Cc2c(SCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)Cc4nnn[nH]4)c(S1)c23
Show InChI InChI=1S/C36H35ClN6S2/c1-23-17-29-32(44-22-28-14-11-26(20-38-28)25-7-5-4-6-8-25)16-15-30-34(29)35(45-23)31(18-36(2,3)19-33-39-41-42-40-33)43(30)21-24-9-12-27(37)13-10-24/h4-16,20,23H,17-19,21-22H2,1-3H3,(H,39,40,41,42)
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n/an/a 120n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro test for inhibition of 5-lipoxygenase in cell-free preparations from rat PMN 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))
BDBM50045639
PNG
(CHEMBL274824 | N-{4-[1-(4-Chloro-benzyl)-4-methyl-...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)CC(=O)NS(=O)(=O)C(F)(F)F)c(S1)c23
Show InChI InChI=1S/C37H35ClF3N3O4S2/c1-23-17-29-32(48-22-28-14-11-26(20-42-28)25-7-5-4-6-8-25)16-15-30-34(29)35(49-23)31(44(30)21-24-9-12-27(38)13-10-24)18-36(2,3)19-33(45)43-50(46,47)37(39,40)41/h4-16,20,23H,17-19,21-22H2,1-3H3,(H,43,45)
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n/an/a 125n/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


(Rattus norvegicus)
BDBM50045678
PNG
(3-[1-(4-Chloro-benzyl)-4-ethyl-6-(5-phenyl-pyridin...)
Show SMILES CCC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)C(O)=O)c(S1)c23
Show InChI InChI=1S/C36H35ClN2O3S/c1-4-28-18-29-32(42-22-27-15-12-25(20-38-27)24-8-6-5-7-9-24)17-16-30-33(29)34(43-28)31(19-36(2,3)35(40)41)39(30)21-23-10-13-26(37)14-11-23/h5-17,20,28H,4,18-19,21-22H2,1-3H3,(H,40,41)
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n/an/a 130n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro test for inhibition of 5-lipoxygenase in cell-free preparations from rat PMN 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


(Rattus norvegicus)
BDBM50045647
PNG
(5-[1-(4-Chloro-benzyl)-4-methyl-6-(5-phenyl-pyridi...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)CCC(O)=O)c(S1)c23
Show InChI InChI=1S/C37H37ClN2O3S/c1-24-19-30-33(43-23-29-14-11-27(21-39-29)26-7-5-4-6-8-26)16-15-31-35(30)36(44-24)32(20-37(2,3)18-17-34(41)42)40(31)22-25-9-12-28(38)13-10-25/h4-16,21,24H,17-20,22-23H2,1-3H3,(H,41,42)
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n/an/a 130n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro test for inhibition of 5-lipoxygenase in cell-free preparations from rat PMN 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


(Rattus norvegicus)
BDBM50045645
PNG
(3-[1-Butyl-4-methyl-6-(5-phenyl-pyridin-2-ylmethox...)
Show SMILES CCCCn1c(CC(C)(C)C(O)=O)c2SC(C)Cc3c(OCc4ccc(cn4)-c4ccccc4)ccc1c23
Show InChI InChI=1S/C32H36N2O3S/c1-5-6-16-34-26-14-15-28(37-20-24-13-12-23(19-33-24)22-10-8-7-9-11-22)25-17-21(2)38-30(29(25)26)27(34)18-32(3,4)31(35)36/h7-15,19,21H,5-6,16-18,20H2,1-4H3,(H,35,36)
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n/an/a 130n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro test for inhibition of 5-lipoxygenase in cell-free preparations from rat PMN 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


(Rattus norvegicus)
BDBM50045662
PNG
(3-[1-Benzoyl-4-methyl-6-(5-phenyl-pyridin-2-ylmeth...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(C(=O)c4ccccc4)c(CC(C)(C)C(O)=O)c(S1)c23
Show InChI InChI=1S/C35H32N2O4S/c1-22-18-27-30(41-21-26-15-14-25(20-36-26)23-10-6-4-7-11-23)17-16-28-31(27)32(42-22)29(19-35(2,3)34(39)40)37(28)33(38)24-12-8-5-9-13-24/h4-17,20,22H,18-19,21H2,1-3H3,(H,39,40)
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n/an/a 140n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro test for inhibition of 5-lipoxygenase in cell-free preparations from rat PMN 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


(Rattus norvegicus)
BDBM50045677
PNG
(3-[1-(4-Chloro-benzyl)-4-methyl-6-(5-phenyl-pyridi...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CCC(O)=O)c(S1)c23
Show InChI InChI=1S/C33H29ClN2O3S/c1-21-17-27-30(39-20-26-12-9-24(18-35-26)23-5-3-2-4-6-23)15-13-28-32(27)33(40-21)29(14-16-31(37)38)36(28)19-22-7-10-25(34)11-8-22/h2-13,15,18,21H,14,16-17,19-20H2,1H3,(H,37,38)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro test for inhibition of 5-lipoxygenase in cell-free preparations from rat PMN 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))
BDBM50045641
PNG
(3-[2-(4-Chloro-benzyl)-5-(5-phenyl-pyridin-2-ylmet...)
Show SMILES CC(C)(Cc1c2SCCCc3c(OCc4ccc(cn4)-c4ccccc4)ccc(n1Cc1ccc(Cl)cc1)c23)C(O)=O
Show InChI InChI=1S/C35H33ClN2O3S/c1-35(2,34(39)40)19-30-33-32-28(9-6-18-42-33)31(17-16-29(32)38(30)21-23-10-13-26(36)14-11-23)41-22-27-15-12-25(20-37-27)24-7-4-3-5-8-24/h3-5,7-8,10-17,20H,6,9,18-19,21-22H2,1-2H3,(H,39,40)
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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
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))
BDBM50045644
PNG
(3-[6-(Biphenyl-4-ylmethoxy)-1-(4-chloro-benzyl)-4-...)
Show SMILES CC1Cc2c(OCc3ccc(cc3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)C(O)=O)c(S1)c23
Show InChI InChI=1S/C36H34ClNO3S/c1-23-19-29-32(41-22-25-9-13-27(14-10-25)26-7-5-4-6-8-26)18-17-30-33(29)34(42-23)31(20-36(2,3)35(39)40)38(30)21-24-11-15-28(37)16-12-24/h4-18,23H,19-22H2,1-3H3,(H,39,40)
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n/an/a 165n/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))
BDBM50045642
PNG
(3-[1-(4-Chloro-benzyl)-3-methylsulfanyl-5-(5-pheny...)
Show SMILES CSc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc(cn3)-c3ccccc3)cc12
Show InChI InChI=1S/C33H31ClN2O3S/c1-33(2,32(37)38)18-30-31(40-3)28-17-27(15-16-29(28)36(30)20-22-9-12-25(34)13-10-22)39-21-26-14-11-24(19-35-26)23-7-5-4-6-8-23/h4-17,19H,18,20-21H2,1-3H3,(H,37,38)
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n/an/a 170n/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


(Rattus norvegicus)
BDBM50045659
PNG
(3-[1-(4-Chloro-benzyl)-6-(5-phenyl-pyridin-2-ylmet...)
Show SMILES CC(C)(Cc1c2SCCc3c(OCc4ccc(cn4)-c4ccccc4)ccc(n1Cc1ccc(Cl)cc1)c23)C(O)=O
Show InChI InChI=1S/C34H31ClN2O3S/c1-34(2,33(38)39)18-29-32-31-27(16-17-41-32)30(15-14-28(31)37(29)20-22-8-11-25(35)12-9-22)40-21-26-13-10-24(19-36-26)23-6-4-3-5-7-23/h3-15,19H,16-18,20-21H2,1-2H3,(H,38,39)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro test for inhibition of 5-lipoxygenase in cell-free preparations from rat PMN 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


(Rattus norvegicus)
BDBM50045660
PNG
(CHEMBL96342 | [1-(4-Chloro-benzyl)-4-methyl-6-(5-p...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(O)=O)c(S1)c23
Show InChI InChI=1S/C32H27ClN2O3S/c1-20-15-26-29(38-19-25-12-9-23(17-34-25)22-5-3-2-4-6-22)14-13-27-31(26)32(39-20)28(16-30(36)37)35(27)18-21-7-10-24(33)11-8-21/h2-14,17,20H,15-16,18-19H2,1H3,(H,36,37)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro test for inhibition of 5-lipoxygenase in cell-free preparations from rat PMN 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))
BDBM50045655
PNG
(3-[1-(4-Chloro-benzyl)-4-methyl-3,3-dioxo-6-(5-phe...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)C(O)=O)c(c23)S1(=O)=O
Show InChI InChI=1S/C35H33ClN2O5S/c1-22-17-28-31(43-21-27-14-11-25(19-37-27)24-7-5-4-6-8-24)16-15-29-32(28)33(44(22,41)42)30(18-35(2,3)34(39)40)38(29)20-23-9-12-26(36)13-10-23/h4-16,19,22H,17-18,20-21H2,1-3H3,(H,39,40)
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n/an/a 210n/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))
BDBM50045671
PNG
(3-[1,4-Dimethyl-6-(5-phenyl-pyridin-2-ylmethoxy)-4...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(C)c(CC(C)(C)C(O)=O)c(S1)c23
Show InChI InChI=1S/C29H30N2O3S/c1-18-14-22-25(34-17-21-11-10-20(16-30-21)19-8-6-5-7-9-19)13-12-23-26(22)27(35-18)24(31(23)4)15-29(2,3)28(32)33/h5-13,16,18H,14-15,17H2,1-4H3,(H,32,33)
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n/an/a 300n/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


(Rattus norvegicus)
BDBM50045655
PNG
(3-[1-(4-Chloro-benzyl)-4-methyl-3,3-dioxo-6-(5-phe...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)C(O)=O)c(c23)S1(=O)=O
Show InChI InChI=1S/C35H33ClN2O5S/c1-22-17-28-31(43-21-27-14-11-25(19-37-27)24-7-5-4-6-8-24)16-15-29-32(28)33(44(22,41)42)30(18-35(2,3)34(39)40)38(29)20-23-9-12-26(36)13-10-23/h4-16,19,22H,17-18,20-21H2,1-3H3,(H,39,40)
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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
In vitro test for inhibition of 5-lipoxygenase in cell-free preparations from rat PMN 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


(Rattus norvegicus)
BDBM50045638
PNG
(4-[1-(4-Chloro-benzyl)-4-methyl-6-(5-phenyl-pyridi...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CCC(C)(C)C(O)=O)c(S1)c23
Show InChI InChI=1S/C36H35ClN2O3S/c1-23-19-29-32(42-22-28-14-11-26(20-38-28)25-7-5-4-6-8-25)16-15-30-33(29)34(43-23)31(17-18-36(2,3)35(40)41)39(30)21-24-9-12-27(37)13-10-24/h4-16,20,23H,17-19,21-22H2,1-3H3,(H,40,41)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro test for inhibition of 5-lipoxygenase in cell-free preparations from rat PMN 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


(Rattus norvegicus)
BDBM50045665
PNG
(3-[1-(4-Chloro-benzyl)-4-methyl-3-oxo-6-(5-phenyl-...)
Show SMILES C[C@@H]1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)C(O)=O)c(S1=O)c23
Show InChI InChI=1S/C35H33ClN2O4S/c1-22-17-28-31(42-21-27-14-11-25(19-37-27)24-7-5-4-6-8-24)16-15-29-32(28)33(43(22)41)30(18-35(2,3)34(39)40)38(29)20-23-9-12-26(36)13-10-23/h4-16,19,22H,17-18,20-21H2,1-3H3,(H,39,40)/t22-,43?/m1/s1
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro test for inhibition of 5-lipoxygenase in cell-free preparations from rat PMN 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


(Rattus norvegicus)
BDBM50045670
PNG
(3-[1-(4-Chloro-benzyl)-6-(5-cyano-pyridin-2-ylmeth...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)C#N)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)C(O)=O)c(S1)c23
Show InChI InChI=1S/C30H28ClN3O3S/c1-18-12-23-26(37-17-22-9-6-20(14-32)15-33-22)11-10-24-27(23)28(38-18)25(13-30(2,3)29(35)36)34(24)16-19-4-7-21(31)8-5-19/h4-11,15,18H,12-13,16-17H2,1-3H3,(H,35,36)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro test for inhibition of 5-lipoxygenase in cell-free preparations from rat PMN 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


(Rattus norvegicus)
BDBM50045649
PNG
(3-[1-(4-Methanesulfonyl-benzyl)-4-methyl-6-(5-phen...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(cc4)S(C)(=O)=O)c(CC(C)(C)C(O)=O)c(S1)c23
Show InChI InChI=1S/C36H36N2O5S2/c1-23-18-29-32(43-22-27-13-12-26(20-37-27)25-8-6-5-7-9-25)17-16-30-33(29)34(44-23)31(19-36(2,3)35(39)40)38(30)21-24-10-14-28(15-11-24)45(4,41)42/h5-17,20,23H,18-19,21-22H2,1-4H3,(H,39,40)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro test for inhibition of 5-lipoxygenase in cell-free preparations from rat PMN 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
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50045664
PNG
(3-[1-(4-Chloro-benzyl)-6-(isoquinolin-3-ylmethoxy)...)
Show SMILES CC1Cc2c(OCc3cc4ccccc4cn3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)C(O)=O)c(S1)c23
Show InChI InChI=1S/C33H31ClN2O3S/c1-20-14-26-29(39-19-25-15-22-6-4-5-7-23(22)17-35-25)13-12-27-30(26)31(40-20)28(16-33(2,3)32(37)38)36(27)18-21-8-10-24(34)11-9-21/h4-13,15,17,20H,14,16,18-19H2,1-3H3,(H,37,38)
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n/an/a 390n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Tested for inhibition of leukotriene biosynthesis by binding to 5-lipoxygenase activating protein


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


(Rattus norvegicus)
BDBM50045640
PNG
(3-[1-(4-Chloro-benzyl)-6-(5-methoxy-pyridin-2-ylme...)
Show SMILES COc1ccc(COc2ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)C(O)=O)c4SC(C)Cc2c34)nc1
Show InChI InChI=1S/C30H31ClN2O4S/c1-18-13-23-26(37-17-21-9-10-22(36-4)15-32-21)12-11-24-27(23)28(38-18)25(14-30(2,3)29(34)35)33(24)16-19-5-7-20(31)8-6-19/h5-12,15,18H,13-14,16-17H2,1-4H3,(H,34,35)
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n/an/a 400n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro test for inhibition of 5-lipoxygenase in cell-free preparations from rat PMN 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


(Rattus norvegicus)
BDBM50045664
PNG
(3-[1-(4-Chloro-benzyl)-6-(isoquinolin-3-ylmethoxy)...)
Show SMILES CC1Cc2c(OCc3cc4ccccc4cn3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)C(O)=O)c(S1)c23
Show InChI InChI=1S/C33H31ClN2O3S/c1-20-14-26-29(39-19-25-15-22-6-4-5-7-23(22)17-35-25)13-12-27-30(26)31(40-20)28(16-33(2,3)32(37)38)36(27)18-21-8-10-24(34)11-9-21/h4-13,15,17,20H,14,16,18-19H2,1-3H3,(H,37,38)
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n/an/a 400n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro test for inhibition of 5-lipoxygenase in cell-free preparations from rat PMN 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))
BDBM50045649
PNG
(3-[1-(4-Methanesulfonyl-benzyl)-4-methyl-6-(5-phen...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(cc4)S(C)(=O)=O)c(CC(C)(C)C(O)=O)c(S1)c23
Show InChI InChI=1S/C36H36N2O5S2/c1-23-18-29-32(43-22-27-13-12-26(20-37-27)25-8-6-5-7-9-25)17-16-30-33(29)34(44-23)31(19-36(2,3)35(39)40)38(30)21-24-10-14-28(15-11-24)45(4,41)42/h5-17,20,23H,18-19,21-22H2,1-4H3,(H,39,40)
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n/an/a 420n/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


(Rattus norvegicus)
BDBM50045672
PNG
(3-[6-(5-Butyl-pyridin-2-ylmethoxy)-1-(4-chloro-ben...)
Show SMILES CCCCc1ccc(COc2ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)C(O)=O)c4SC(C)Cc2c34)nc1
Show InChI InChI=1S/C33H37ClN2O3S/c1-5-6-7-22-10-13-25(35-18-22)20-39-29-15-14-27-30-26(29)16-21(2)40-31(30)28(17-33(3,4)32(37)38)36(27)19-23-8-11-24(34)12-9-23/h8-15,18,21H,5-7,16-17,19-20H2,1-4H3,(H,37,38)
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n/an/a 500n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro test for inhibition of 5-lipoxygenase in cell-free preparations from rat PMN 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))
BDBM50045668
PNG
(2,2-Dimethyl-3-[4-methyl-6-(5-phenyl-pyridin-2-ylm...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3[nH]c(CC(C)(C)C(O)=O)c(S1)c23
Show InChI InChI=1S/C28H28N2O3S/c1-17-13-21-24(33-16-20-10-9-19(15-29-20)18-7-5-4-6-8-18)12-11-22-25(21)26(34-17)23(30-22)14-28(2,3)27(31)32/h4-12,15,17,30H,13-14,16H2,1-3H3,(H,31,32)
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n/an/a 500n/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


(Rattus norvegicus)
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 600n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro test for inhibition of 5-lipoxygenase in cell-free preparations from rat PMN 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


(Rattus norvegicus)
BDBM50045642
PNG
(3-[1-(4-Chloro-benzyl)-3-methylsulfanyl-5-(5-pheny...)
Show SMILES CSc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc(cn3)-c3ccccc3)cc12
Show InChI InChI=1S/C33H31ClN2O3S/c1-33(2,32(37)38)18-30-31(40-3)28-17-27(15-16-29(28)36(30)20-22-9-12-25(34)13-10-22)39-21-26-14-11-24(19-35-26)23-7-5-4-6-8-23/h4-17,19H,18,20-21H2,1-3H3,(H,37,38)
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n/an/a 600n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro test for inhibition of 5-lipoxygenase in cell-free preparations from rat PMN 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


(Rattus norvegicus)
BDBM50045646
PNG
(3-[1-(4-Chloro-benzyl)-4-methyl-6-(pyridin-2-ylmet...)
Show SMILES CC1Cc2c(OCc3ccccn3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)C(O)=O)c(S1)c23
Show InChI InChI=1S/C29H29ClN2O3S/c1-18-14-22-25(35-17-21-6-4-5-13-31-21)12-11-23-26(22)27(36-18)24(15-29(2,3)28(33)34)32(23)16-19-7-9-20(30)10-8-19/h4-13,18H,14-17H2,1-3H3,(H,33,34)
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n/an/a 630n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro test for inhibition of 5-lipoxygenase in cell-free preparations from rat PMN 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))
BDBM50045665
PNG
(3-[1-(4-Chloro-benzyl)-4-methyl-3-oxo-6-(5-phenyl-...)
Show SMILES C[C@@H]1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)C(O)=O)c(S1=O)c23
Show InChI InChI=1S/C35H33ClN2O4S/c1-22-17-28-31(42-21-27-14-11-25(19-37-27)24-7-5-4-6-8-24)16-15-29-32(28)33(43(22)41)30(18-35(2,3)34(39)40)38(29)20-23-9-12-26(36)13-10-23/h4-16,19,22H,17-18,20-21H2,1-3H3,(H,39,40)/t22-,43?/m1/s1
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n/an/a 830n/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


(Rattus norvegicus)
BDBM50045644
PNG
(3-[6-(Biphenyl-4-ylmethoxy)-1-(4-chloro-benzyl)-4-...)
Show SMILES CC1Cc2c(OCc3ccc(cc3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)C(O)=O)c(S1)c23
Show InChI InChI=1S/C36H34ClNO3S/c1-23-19-29-32(41-22-25-9-13-27(14-10-25)26-7-5-4-6-8-26)18-17-30-33(29)34(42-23)31(20-36(2,3)35(39)40)38(30)21-24-11-15-28(37)16-12-24/h4-18,23H,19-22H2,1-3H3,(H,39,40)
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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
In vitro test for inhibition of 5-lipoxygenase in cell-free preparations from rat PMN 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


(Rattus norvegicus)
BDBM50045658
PNG
(1-(4-Chloro-benzyl)-2-[2,2-dimethyl-3-(1H-tetrazol...)
Show SMILES CC1Cc2c(OCCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)Cc4nnn[nH]4)c(S1)c23
Show InChI InChI=1S/C37H37ClN6OS/c1-24-19-30-33(45-18-17-29-14-11-27(22-39-29)26-7-5-4-6-8-26)16-15-31-35(30)36(46-24)32(20-37(2,3)21-34-40-42-43-41-34)44(31)23-25-9-12-28(38)13-10-25/h4-16,22,24H,17-21,23H2,1-3H3,(H,40,41,42,43)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro test for inhibition of 5-lipoxygenase in cell-free preparations from rat PMN 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


(Rattus norvegicus)
BDBM50045650
PNG
(6-[2-(2-Carboxy-2-methyl-propyl)-1-(4-chloro-benzy...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)C(O)=O)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)C(O)=O)c(S1)c23
Show InChI InChI=1S/C30H29ClN2O5S/c1-17-12-22-25(38-16-21-9-6-19(14-32-21)28(34)35)11-10-23-26(22)27(39-17)24(13-30(2,3)29(36)37)33(23)15-18-4-7-20(31)8-5-18/h4-11,14,17H,12-13,15-16H2,1-3H3,(H,34,35)(H,36,37)
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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
In vitro test for inhibition of 5-lipoxygenase in cell-free preparations from rat PMN 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


(Rattus norvegicus)
BDBM50045680
PNG
(1-(4-Chloro-benzyl)-4-methyl-6-(5-phenyl-pyridin-2...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(C(O)=O)c(S1)c23
Show InChI InChI=1S/C31H25ClN2O3S/c1-19-15-25-27(37-18-24-12-9-22(16-33-24)21-5-3-2-4-6-21)14-13-26-28(25)30(38-19)29(31(35)36)34(26)17-20-7-10-23(32)11-8-20/h2-14,16,19H,15,17-18H2,1H3,(H,35,36)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro test for inhibition of 5-lipoxygenase in cell-free preparations from rat PMN 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


(Rattus norvegicus)
BDBM50045674
PNG
(3-[1-(4-Chloro-benzyl)-4-methyl-6-(4-phenyl-pyridi...)
Show SMILES CC1Cc2c(OCc3cc(ccn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)C(O)=O)c(S1)c23
Show InChI InChI=1S/C35H33ClN2O3S/c1-22-17-28-31(41-21-27-18-25(15-16-37-27)24-7-5-4-6-8-24)14-13-29-32(28)33(42-22)30(19-35(2,3)34(39)40)38(29)20-23-9-11-26(36)12-10-23/h4-16,18,22H,17,19-21H2,1-3H3,(H,39,40)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro test for inhibition of 5-lipoxygenase in cell-free preparations from rat PMN 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


(Rattus norvegicus)
BDBM50045666
PNG
(3-[1-(4-Chloro-benzyl)-4-methyl-6-(thiophen-2-ylme...)
Show SMILES CC1Cc2c(OCc3cccs3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)C(O)=O)c(S1)c23
Show InChI InChI=1S/C28H28ClNO3S2/c1-17-13-21-24(33-16-20-5-4-12-34-20)11-10-22-25(21)26(35-17)23(14-28(2,3)27(31)32)30(22)15-18-6-8-19(29)9-7-18/h4-12,17H,13-16H2,1-3H3,(H,31,32)
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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
In vitro test for inhibition of 5-lipoxygenase in cell-free preparations from rat PMN 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


(Rattus norvegicus)
BDBM50045653
PNG
(3-[1-(4-Chloro-benzyl)-4-methyl-6-(6-phenyl-pyridi...)
Show SMILES CC1Cc2c(OCc3cccc(n3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)C(O)=O)c(S1)c23
Show InChI InChI=1S/C35H33ClN2O3S/c1-22-18-27-31(41-21-26-10-7-11-28(37-26)24-8-5-4-6-9-24)17-16-29-32(27)33(42-22)30(19-35(2,3)34(39)40)38(29)20-23-12-14-25(36)15-13-23/h4-17,22H,18-21H2,1-3H3,(H,39,40)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro test for inhibition of 5-lipoxygenase in cell-free preparations from rat PMN 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 12-lipoxygenase


(Sus scrofa)
BDBM50041161
PNG
(1-(4-Chloro-benzyl)-2-[2,2-dimethyl-3-(1H-tetrazol...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)Cc4nnn[nH]4)c(S1)c23
Show InChI InChI=1S/C36H35ClN6OS/c1-23-17-29-32(44-22-28-14-11-26(20-38-28)25-7-5-4-6-8-25)16-15-30-34(29)35(45-23)31(18-36(2,3)19-33-39-41-42-40-33)43(30)21-24-9-12-27(37)13-10-24/h4-16,20,23H,17-19,21-22H2,1-3H3,(H,39,40,41,42)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Tested for inhibition against porcine 12-LO


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


(Rattus norvegicus)
BDBM50045671
PNG
(3-[1,4-Dimethyl-6-(5-phenyl-pyridin-2-ylmethoxy)-4...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(C)c(CC(C)(C)C(O)=O)c(S1)c23
Show InChI InChI=1S/C29H30N2O3S/c1-18-14-22-25(34-17-21-11-10-20(16-30-21)19-8-6-5-7-9-19)13-12-23-26(22)27(35-18)24(31(23)4)15-29(2,3)28(32)33/h5-13,16,18H,14-15,17H2,1-4H3,(H,32,33)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro test for inhibition of 5-lipoxygenase in cell-free preparations from rat PMN 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


(Rattus norvegicus)
BDBM50045676
PNG
(3-[1-(4-Chloro-benzyl)-4,4-dimethyl-6-(5-phenyl-py...)
Show SMILES CC(C)(Cc1c2SC(C)(C)Cc3c(OCc4ccc(cn4)-c4ccccc4)ccc(n1Cc1ccc(Cl)cc1)c23)C(O)=O
Show InChI InChI=1S/C36H35ClN2O3S/c1-35(2,34(40)41)19-30-33-32-28(18-36(3,4)43-33)31(17-16-29(32)39(30)21-23-10-13-26(37)14-11-23)42-22-27-15-12-25(20-38-27)24-8-6-5-7-9-24/h5-17,20H,18-19,21-22H2,1-4H3,(H,40,41)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro test for inhibition of 5-lipoxygenase in cell-free preparations from rat PMN 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


(Rattus norvegicus)
BDBM50045661
PNG
(3-[1-(4-Chloro-benzyl)-4-methyl-3-oxo-6-(5-phenyl-...)
Show SMILES C[C@H]1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)C(O)=O)c(S1=O)c23
Show InChI InChI=1S/C35H33ClN2O4S/c1-22-17-28-31(42-21-27-14-11-25(19-37-27)24-7-5-4-6-8-24)16-15-29-32(28)33(43(22)41)30(18-35(2,3)34(39)40)38(29)20-23-9-12-26(36)13-10-23/h4-16,19,22H,17-18,20-21H2,1-3H3,(H,39,40)/t22-,43?/m0/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro test for inhibition of 5-lipoxygenase in cell-free preparations from rat PMN 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
* indicates data uncertainty>20%