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97 similar compounds to monomer 50052018

Compile data set for download or QSAR
Wt: 636.8
BDBM125205
Purchase
Wt: 587.1
BDBM50029559
Purchase
Wt: 597.1
BDBM50045674
Wt: 611.1
BDBM50045676
Wt: 551.0
BDBM50045640
Wt: 597.1
BDBM50045641
Wt: 571.1
BDBM50045642
Wt: 571.1
BDBM50045643
Wt: 596.1
BDBM50045644
Wt: 521.0
BDBM50045646
Wt: 583.1
BDBM50045659
Wt: 571.1
BDBM50045664
Wt: 597.1
BDBM50045667
Wt: 546.0
BDBM50045670
Wt: 577.1
BDBM50045672
Displayed 1 to 15 (of 97 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 59 hits for monomerid = 125205,50029559,50045674,50045676,50045640,50045641,50045642,50045643,50045644,50045646,50045659,50045664,50045667,50045670,50045672   
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
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM125205
PNG
(US8772495, 2)
Show SMILES CCOc1ccc(cn1)-c1ccc(Cn2c(CC(C)(C)C([O-])=O)c(SC(C)(C)C)c3cc(OCc4ccc(C)cn4)ccc23)cc1
Show InChI InChI=1S/C38H43N3O4S/c1-8-44-34-18-14-28(22-40-34)27-12-10-26(11-13-27)23-41-32-17-16-30(45-24-29-15-9-25(2)21-39-29)19-31(32)35(46-37(3,4)5)33(41)20-38(6,7)36(42)43/h9-19,21-22H,8,20,23-24H2,1-7H3,(H,42,43)/p-1
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US Patent
n/an/a 2.90n/an/an/an/a7.4n/a



Panmira Pharmaceuticals, LLC

US Patent


Assay Description
Compound 2 was examined for its ability to bind human FLAP using a membrane-binding assay. The affinity of Compound 2 for human FLAP was assessed usi...


US Patent US8772495 (2014)


BindingDB Entry DOI: 10.7270/Q23F4N9F
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 150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against 5-lipoxygenase in rat.


Bioorg Med Chem Lett 2: 1699-1702 (1992)


Article DOI: 10.1016/S0960-894X(00)80459-X
BindingDB Entry DOI: 10.7270/Q29C6XB4
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(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>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding activity towards 5-lipoxygenase activating protein (FLAP)


Bioorg Med Chem Lett 2: 1699-1702 (1992)


Article DOI: 10.1016/S0960-894X(00)80459-X
BindingDB Entry DOI: 10.7270/Q29C6XB4
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>1.00E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Human 5-lipoxygenase


J Med Chem 38: 4538-47 (1995)


Article DOI: 10.1021/jm00022a020
BindingDB Entry DOI: 10.7270/Q2C53JW5
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(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



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase activating protein using human leukocyte membrane preparations


J Med Chem 38: 4538-47 (1995)


Article DOI: 10.1021/jm00022a020
BindingDB Entry DOI: 10.7270/Q2C53JW5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 5.00E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro potency against human 5-Lipoxygenase


J Med Chem 37: 512-8 (1994)


Article DOI: 10.1021/jm00030a010
BindingDB Entry DOI: 10.7270/Q2J965FV
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


(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


(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
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))
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


(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))
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)
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


(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
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


(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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n/an/a 200n/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
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


(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
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))
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


(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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n/an/a 350n/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)
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))
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)
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)
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 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)
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)
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


(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


(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))
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


(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


(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


(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))
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
5-lipoxygenase/FLAP


(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 2n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
Measuring the affinity of leukotriene synthesis inhibitor for 5-lipoxygenase activating protein by using [125I]-L-691,831 as radioligand.


Bioorg Med Chem Lett 9: 2391-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00399-6
BindingDB Entry DOI: 10.7270/Q26T0KTJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-lipoxygenase/FLAP


(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 36n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to FLAP (unknown origin)


Bioorg Med Chem Lett 25: 2607-12 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.090
BindingDB Entry DOI: 10.7270/Q2183878
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-lipoxygenase/FLAP


(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 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of binding of [125I]- L- 691,831 binding to 5-lipoxygenase activating protein


Bioorg Med Chem Lett 2: 1395-1398 (1992)


Article DOI: 10.1016/S0960-894X(00)80520-X
BindingDB Entry DOI: 10.7270/Q2028RGQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-lipoxygenase/FLAP


(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 2.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding activity towards 5-lipoxygenase activating protein (FLAP)


Bioorg Med Chem Lett 2: 1699-1702 (1992)


Article DOI: 10.1016/S0960-894X(00)80459-X
BindingDB Entry DOI: 10.7270/Q29C6XB4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding activity towards 5-lipoxygenase activating protein (FLAP)


Bioorg Med Chem Lett 2: 1699-1702 (1992)


Article DOI: 10.1016/S0960-894X(00)80459-X
BindingDB Entry DOI: 10.7270/Q29C6XB4
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 300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against 5-lipoxygenase in rat.


Bioorg Med Chem Lett 2: 1699-1702 (1992)


Article DOI: 10.1016/S0960-894X(00)80459-X
BindingDB Entry DOI: 10.7270/Q29C6XB4
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
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>2.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against 5-lipoxygenase in rat.


Bioorg Med Chem Lett 2: 1699-1702 (1992)


Article DOI: 10.1016/S0960-894X(00)80459-X
BindingDB Entry DOI: 10.7270/Q29C6XB4
More data for this
Ligand-Target Pair
5-Lipoxygenase/5-lipoxygenase activating protein


(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 8.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of calcium ionophore (A23187) stimulated LTB4 formation in human neutrophils


Bioorg Med Chem Lett 6: 1547-1552 (1996)


Article DOI: 10.1016/S0960-894X(96)00271-5
BindingDB Entry DOI: 10.7270/Q2DF6R6W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-lipoxygenase/FLAP


(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 2n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]3-[5-(pyrid-2-ylmethoxy)-3-tert-butylthio-1-benzyl-indol-2-yl]-2,2-dimethylpropionic acid from FLAP in human polymorphonuclear ce...


J Med Chem 52: 5803-15 (2009)


Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 2C9


(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 0.5n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


J Med Chem 52: 5803-15 (2009)


Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50029559
PNG
(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)
Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12
Show InChI InChI=1S/C34H35ClN2O3S/c1-33(2,3)41-31-27-18-26(40-21-25-15-12-23-8-6-7-9-28(23)36-25)16-17-29(27)37(20-22-10-13-24(35)14-11-22)30(31)19-34(4,5)32(38)39/h6-18H,19-21H2,1-5H3,(H,38,39)
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n/an/a 5.80n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


J Med Chem 52: 5803-15 (2009)


Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(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 11n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


J Med Chem 52: 5803-15 (2009)


Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50029559
PNG
(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)
Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12
Show InChI InChI=1S/C34H35ClN2O3S/c1-33(2,3)41-31-27-18-26(40-21-25-15-12-23-8-6-7-9-28(23)36-25)16-17-29(27)37(20-22-10-13-24(35)14-11-22)30(31)19-34(4,5)32(38)39/h6-18H,19-21H2,1-5H3,(H,38,39)
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n/an/a 5.20E+3n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 20: 213-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.131
BindingDB Entry DOI: 10.7270/Q2MW2H78
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(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 500n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 20: 213-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.131
BindingDB Entry DOI: 10.7270/Q2MW2H78
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 5.00E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenase


J Med Chem 39: 3951-70 (1996)


Article DOI: 10.1021/jm960301c
BindingDB Entry DOI: 10.7270/Q2639QCJ
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 59 total )  |  Next  |  Last  >>