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45 similar compounds to monomer 50029577

Compile data set for download or QSAR
Wt: 695.6
BDBM50029566
Wt: 677.2
BDBM50029568
Wt: 675.2
BDBM50029569
Wt: 635.1
BDBM50029570
Wt: 658.7
BDBM50029571
Wt: 661.2
BDBM50029574
Wt: 645.2
BDBM50029575
Wt: 675.2
BDBM50029576
Wt: 658.7
BDBM50029561
Wt: 661.2
BDBM50029562
Wt: 661.2
BDBM50029563
Wt: 661.2
BDBM50029564
Wt: 613.1
BDBM50041156
Wt: 654.2
BDBM50041159
Wt: 704.2
BDBM50041160
Displayed 1 to 15 (of 45 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50029566,50029568,50029569,50029570,50029571,50029574,50029575,50029576,50029561,50029562,50029563,50029564,50041156,50041159,50041160   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50029562
PNG
(CHEMBL140915 | {2-[1-(3-Chloro-benzyl)-4-methyl-6-...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4cccc(Cl)c4)c(COc4ccccc4CC(O)=O)c(S1)c23
Show InChI InChI=1S/C39H33ClN2O4S/c1-25-18-32-36(45-23-31-15-14-29(21-41-31)27-9-3-2-4-10-27)17-16-33-38(32)39(47-25)34(42(33)22-26-8-7-12-30(40)19-26)24-46-35-13-6-5-11-28(35)20-37(43)44/h2-17,19,21,25H,18,20,22-24H2,1H3,(H,43,44)
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n/an/a 10n/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
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50041160
PNG
(CHEMBL16285 | N-(2-{2-[1-(4-Chloro-benzyl)-4-methy...)
Show SMILES CCC(OCCc1c2SC(C)Cc3c(OCc4ccc(cn4)-c4ccccc4)ccc(n1Cc1ccc(Cl)cc1)c23)C(=O)NS(C)(=O)=O
Show InChI InChI=1S/C37H38ClN3O5S2/c1-4-33(37(42)40-48(3,43)44)45-19-18-32-36-35-30(20-24(2)47-36)34(17-16-31(35)41(32)22-25-10-13-28(38)14-11-25)46-23-29-15-12-27(21-39-29)26-8-6-5-7-9-26/h5-17,21,24,33H,4,18-20,22-23H2,1-3H3,(H,40,42)
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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 human 5-Lipoxygenase.


J Med Chem 37: 1153-64 (1994)


Article DOI: 10.1021/jm00034a013
BindingDB Entry DOI: 10.7270/Q2PV6JF5
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50029563
PNG
(2-{2-[1-(4-Chloro-benzyl)-4-methyl-6-(5-phenyl-pyr...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CCOc4ccccc4C(O)=O)c(S1)c23
Show InChI InChI=1S/C39H33ClN2O4S/c1-25-21-32-36(46-24-30-16-13-28(22-41-30)27-7-3-2-4-8-27)18-17-33-37(32)38(47-25)34(42(33)23-26-11-14-29(40)15-12-26)19-20-45-35-10-6-5-9-31(35)39(43)44/h2-18,22,25H,19-21,23-24H2,1H3,(H,43,44)
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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
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
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50029564
PNG
(CHEMBL341562 | {2-[1-(4-Chloro-benzyl)-4-methyl-6-...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(COc4ccccc4CC(O)=O)c(S1)c23
Show InChI InChI=1S/C39H33ClN2O4S/c1-25-19-32-36(45-23-31-16-13-29(21-41-31)27-7-3-2-4-8-27)18-17-33-38(32)39(47-25)34(42(33)22-26-11-14-30(40)15-12-26)24-46-35-10-6-5-9-28(35)20-37(43)44/h2-18,21,25H,19-20,22-24H2,1H3,(H,43,44)
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n/an/a 26n/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
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50029568
PNG
(2-{2-[1-(4-Chloro-benzyl)-4-methyl-6-(5-phenyl-pyr...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CCSc4ccccc4C(O)=O)c(S1)c23
Show InChI InChI=1S/C39H33ClN2O3S2/c1-25-21-32-35(45-24-30-16-13-28(22-41-30)27-7-3-2-4-8-27)18-17-33-37(32)38(47-25)34(42(33)23-26-11-14-29(40)15-12-26)19-20-46-36-10-6-5-9-31(36)39(43)44/h2-18,22,25H,19-21,23-24H2,1H3,(H,43,44)
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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
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
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50029566
PNG
(5-Chloro-2-{2-[1-(4-chloro-benzyl)-4-methyl-6-(5-p...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CCOc4ccc(Cl)cc4C(O)=O)c(S1)c23
Show InChI InChI=1S/C39H32Cl2N2O4S/c1-24-19-31-35(47-23-30-13-9-27(21-42-30)26-5-3-2-4-6-26)16-14-33-37(31)38(48-24)34(43(33)22-25-7-10-28(40)11-8-25)17-18-46-36-15-12-29(41)20-32(36)39(44)45/h2-16,20-21,24H,17-19,22-23H2,1H3,(H,44,45)
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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
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
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50029562
PNG
(CHEMBL140915 | {2-[1-(3-Chloro-benzyl)-4-methyl-6-...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4cccc(Cl)c4)c(COc4ccccc4CC(O)=O)c(S1)c23
Show InChI InChI=1S/C39H33ClN2O4S/c1-25-18-32-36(45-23-31-15-14-29(21-41-31)27-9-3-2-4-10-27)17-16-33-38(32)39(47-25)34(42(33)22-26-8-7-12-30(40)19-26)24-46-35-13-6-5-11-28(35)20-37(43)44/h2-17,19,21,25H,18,20,22-24H2,1H3,(H,43,44)
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n/an/a 10n/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
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50029571
PNG
((2-{2-[1-(4-Fluoro-benzyl)-4-methyl-6-(5-phenyl-py...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(F)cc4)c(CCOc4ccccc4CC(O)=O)c(S1)c23
Show InChI InChI=1S/C40H35FN2O4S/c1-26-21-33-37(47-25-32-16-13-30(23-42-32)28-7-3-2-4-8-28)18-17-34-39(33)40(48-26)35(43(34)24-27-11-14-31(41)15-12-27)19-20-46-36-10-6-5-9-29(36)22-38(44)45/h2-18,23,26H,19-22,24-25H2,1H3,(H,44,45)
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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
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))
BDBM50029570
PNG
(CHEMBL139891 | {2-[1-(4-Chloro-benzyl)-4-methyl-6-...)
Show SMILES CC1Cc2c(OCc3ccc4ccccc4n3)ccc3n(Cc4ccc(Cl)cc4)c(COc4ccccc4CC(O)=O)c(S1)c23
Show InChI InChI=1S/C37H31ClN2O4S/c1-23-18-29-34(43-21-28-15-12-25-6-2-4-8-30(25)39-28)17-16-31-36(29)37(45-23)32(40(31)20-24-10-13-27(38)14-11-24)22-44-33-9-5-3-7-26(33)19-35(41)42/h2-17,23H,18-22H2,1H3,(H,41,42)
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n/an/a 32n/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
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50029569
PNG
((2-{2-[1-(4-Chloro-benzyl)-4-methyl-6-(5-phenyl-py...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CCOc4ccccc4CC(O)=O)c(S1)c23
Show InChI InChI=1S/C40H35ClN2O4S/c1-26-21-33-37(47-25-32-16-13-30(23-42-32)28-7-3-2-4-8-28)18-17-34-39(33)40(48-26)35(43(34)24-27-11-14-31(41)15-12-27)19-20-46-36-10-6-5-9-29(36)22-38(44)45/h2-18,23,26H,19-22,24-25H2,1H3,(H,44,45)
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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
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
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50029574
PNG
(3-{2-[1-(4-Chloro-benzyl)-4-methyl-6-(5-phenyl-pyr...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CCOc4cccc(c4)C(O)=O)c(S1)c23
Show InChI InChI=1S/C39H33ClN2O4S/c1-25-20-33-36(46-24-31-15-12-29(22-41-31)27-6-3-2-4-7-27)17-16-34-37(33)38(47-25)35(42(34)23-26-10-13-30(40)14-11-26)18-19-45-32-9-5-8-28(21-32)39(43)44/h2-17,21-22,25H,18-20,23-24H2,1H3,(H,43,44)
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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
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
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50029570
PNG
(CHEMBL139891 | {2-[1-(4-Chloro-benzyl)-4-methyl-6-...)
Show SMILES CC1Cc2c(OCc3ccc4ccccc4n3)ccc3n(Cc4ccc(Cl)cc4)c(COc4ccccc4CC(O)=O)c(S1)c23
Show InChI InChI=1S/C37H31ClN2O4S/c1-23-18-29-34(43-21-28-15-12-25-6-2-4-8-30(25)39-28)17-16-31-36(29)37(45-23)32(40(31)20-24-10-13-27(38)14-11-24)22-44-33-9-5-3-7-26(33)19-35(41)42/h2-17,23H,18-22H2,1H3,(H,41,42)
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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
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
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50029575
PNG
(2-{2-[1-(4-Chloro-benzyl)-4-methyl-6-(5-phenyl-pyr...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CCc4ccccc4C(O)=O)c(S1)c23
Show InChI InChI=1S/C39H33ClN2O3S/c1-25-21-33-36(45-24-31-17-13-29(22-41-31)27-7-3-2-4-8-27)20-19-34-37(33)38(46-25)35(42(34)23-26-11-15-30(40)16-12-26)18-14-28-9-5-6-10-32(28)39(43)44/h2-13,15-17,19-20,22,25H,14,18,21,23-24H2,1H3,(H,43,44)
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n/an/a 360n/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
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50029576
PNG
((2-{2-[1-(3-Chloro-benzyl)-4-methyl-6-(5-phenyl-py...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4cccc(Cl)c4)c(CCOc4ccccc4CC(O)=O)c(S1)c23
Show InChI InChI=1S/C40H35ClN2O4S/c1-26-20-33-37(47-25-32-15-14-30(23-42-32)28-9-3-2-4-10-28)17-16-34-39(33)40(48-26)35(43(34)24-27-8-7-12-31(41)21-27)18-19-46-36-13-6-5-11-29(36)22-38(44)45/h2-17,21,23,26H,18-20,22,24-25H2,1H3,(H,44,45)
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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
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
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50041156
PNG
(2-{2-[1-(4-Chloro-benzyl)-4-methyl-6-(5-phenyl-pyr...)
Show SMILES CC(OCCc1c2SC(C)Cc3c(OCc4ccc(cn4)-c4ccccc4)ccc(n1Cc1ccc(Cl)cc1)c23)C(O)=O
Show InChI InChI=1S/C35H33ClN2O4S/c1-22-18-29-32(42-21-28-13-10-26(19-37-28)25-6-4-3-5-7-25)15-14-30-33(29)34(43-22)31(16-17-41-23(2)35(39)40)38(30)20-24-8-11-27(36)12-9-24/h3-15,19,22-23H,16-18,20-21H2,1-2H3,(H,39,40)
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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 human 5-Lipoxygenase.


J Med Chem 37: 1153-64 (1994)


Article DOI: 10.1021/jm00034a013
BindingDB Entry DOI: 10.7270/Q2PV6JF5
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50041159
PNG
(2-(Acetyl-{2-[1-(4-chloro-benzyl)-4-methyl-6-(5-ph...)
Show SMILES CC(N(CCc1c2SC(C)Cc3c(OCc4ccc(cn4)-c4ccccc4)ccc(n1Cc1ccc(Cl)cc1)c23)C(C)=O)C(O)=O
Show InChI InChI=1S/C37H36ClN3O4S/c1-23-19-31-34(45-22-30-14-11-28(20-39-30)27-7-5-4-6-8-27)16-15-32-35(31)36(46-23)33(17-18-40(25(3)42)24(2)37(43)44)41(32)21-26-9-12-29(38)13-10-26/h4-16,20,23-24H,17-19,21-22H2,1-3H3,(H,43,44)
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n/an/a 900n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of human 5-Lipoxygenase.


J Med Chem 37: 1153-64 (1994)


Article DOI: 10.1021/jm00034a013
BindingDB Entry DOI: 10.7270/Q2PV6JF5
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50029561
PNG
((2-{2-[1-(3-Fluoro-benzyl)-4-methyl-6-(5-phenyl-py...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4cccc(F)c4)c(CCOc4ccccc4CC(O)=O)c(S1)c23
Show InChI InChI=1S/C40H35FN2O4S/c1-26-20-33-37(47-25-32-15-14-30(23-42-32)28-9-3-2-4-10-28)17-16-34-39(33)40(48-26)35(43(34)24-27-8-7-12-31(41)21-27)18-19-46-36-13-6-5-11-29(36)22-38(44)45/h2-17,21,23,26H,18-20,22,24-25H2,1H3,(H,44,45)
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Article
PubMed
n/an/a 23n/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