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21 similar compounds to monomer 50053542

Compile data set for download or QSAR
Wt: 480.5
BDBM50040419
Wt: 480.5
BDBM50040423
Wt: 484.5
BDBM50053520
Wt: 494.5
BDBM50053525
Wt: 480.5
BDBM50053528
Wt: 480.5
BDBM50053531
Wt: 482.5
BDBM50053533
Wt: 496.5
BDBM50053534
Wt: 500.9
BDBM50053535
Wt: 456.4
BDBM50053537
Wt: 496.5
BDBM50053538
Wt: 468.5
BDBM50053543
Wt: 467.5
BDBM50053545
Wt: 494.5
BDBM50053550
Wt: 484.5
BDBM50053551
Displayed 1 to 15 (of 21 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50040419,50040423,50053520,50053525,50053528,50053531,50053533,50053534,50053535,50053537,50053538,50053543,50053545,50053550,50053551   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50040419
PNG
(7-[3-(4-Methoxy-tetrahydro-pyran-4-yl)-phenoxymeth...)
Show SMILES COC1(CCOCC1)c1cccc(OCc2ccc3c(c4COC(=O)c4cc3c2)-c2ccccc2)c1
Show InChI InChI=1S/C31H28O5/c1-33-31(12-14-34-15-13-31)24-8-5-9-25(18-24)35-19-21-10-11-26-23(16-21)17-27-28(20-36-30(27)32)29(26)22-6-3-2-4-7-22/h2-11,16-18H,12-15,19-20H2,1H3
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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 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
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50053545
PNG
(7-[3-(4-Hydroxy-tetrahydro-pyran-4-yl)-benzyloxy]-...)
Show SMILES OC1(CCOCC1)c1cccc(COc2ccc3c(c4COC(=O)c4cc3c2)-c2cccnc2)c1
Show InChI InChI=1S/C29H25NO5/c31-28-25-15-21-14-23(6-7-24(21)27(26(25)18-35-28)20-4-2-10-30-16-20)34-17-19-3-1-5-22(13-19)29(32)8-11-33-12-9-29/h1-7,10,13-16,32H,8-9,11-12,17-18H2
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n/an/a 720n/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
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50053531
PNG
(7-[3-(4-Hydroxy-2-oxo-tetrahydro-pyran-4-yl)-benzy...)
Show SMILES OC1(CCOC(=O)C1)c1cccc(COc2ccc3c(c4COC(=O)c4cc3c2)-c2ccccc2)c1
Show InChI InChI=1S/C30H24O6/c31-27-16-30(33,11-12-34-27)22-8-4-5-19(13-22)17-35-23-9-10-24-21(14-23)15-25-26(18-36-29(25)32)28(24)20-6-2-1-3-7-20/h1-10,13-15,33H,11-12,16-18H2
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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
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
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50053528
PNG
(7-[3-(4-Hydroxy-tetrahydro-pyran-4-yl)-benzyloxy]-...)
Show SMILES CC1OC(=O)c2cc3cc(OCc4cccc(c4)C4(O)CCOCC4)ccc3c(c12)-c1ccccc1
Show InChI InChI=1S/C31H28O5/c1-20-28-27(30(32)36-20)18-23-17-25(10-11-26(23)29(28)22-7-3-2-4-8-22)35-19-21-6-5-9-24(16-21)31(33)12-14-34-15-13-31/h2-11,16-18,20,33H,12-15,19H2,1H3
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n/an/a 1.30E+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
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50053534
PNG
(7-[3-(4-Hydroxy-2-methoxy-tetrahydro-pyran-4-yl)-b...)
Show SMILES COC1CC(O)(CCO1)c1cccc(COc2ccc3c(c4COC(=O)c4cc3c2)-c2ccccc2)c1
Show InChI InChI=1S/C31H28O6/c1-34-28-17-31(33,12-13-35-28)23-9-5-6-20(14-23)18-36-24-10-11-25-22(15-24)16-26-27(19-37-30(26)32)29(25)21-7-3-2-4-8-21/h2-11,14-16,28,33H,12-13,17-19H2,1H3
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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
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
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50053537
PNG
(4-Furan-3-yl-7-[3-(4-hydroxy-tetrahydro-pyran-4-yl...)
Show SMILES OC1(CCOCC1)c1cccc(COc2ccc3c(c4COC(=O)c4cc3c2)-c2ccoc2)c1
Show InChI InChI=1S/C28H24O6/c29-27-24-14-20-13-22(4-5-23(20)26(25(24)17-34-27)19-6-9-32-16-19)33-15-18-2-1-3-21(12-18)28(30)7-10-31-11-8-28/h1-6,9,12-14,16,30H,7-8,10-11,15,17H2
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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
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
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50053538
PNG
(7-[3-(4-Hydroxy-tetrahydro-pyran-4-yl)-benzyloxy]-...)
Show SMILES COc1cccc(c1)-c1c2COC(=O)c2cc2cc(OCc3cccc(c3)C3(O)CCOCC3)ccc12
Show InChI InChI=1S/C31H28O6/c1-34-24-7-3-5-21(15-24)29-26-9-8-25(16-22(26)17-27-28(29)19-37-30(27)32)36-18-20-4-2-6-23(14-20)31(33)10-12-35-13-11-31/h2-9,14-17,33H,10-13,18-19H2,1H3
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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
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
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50053543
PNG
(7-[3-(4-Hydroxy-tetrahydro-pyran-4-yl)-benzyloxy]-...)
Show SMILES COC(=O)c1cc(-c2ccccc2)c2ccc(OCc3cccc(c3)C3(O)CCOCC3)cc2c1
Show InChI InChI=1S/C30H28O5/c1-33-29(31)24-17-23-18-26(10-11-27(23)28(19-24)22-7-3-2-4-8-22)35-20-21-6-5-9-25(16-21)30(32)12-14-34-15-13-30/h2-11,16-19,32H,12-15,20H2,1H3
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n/an/a 70n/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
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50053535
PNG
(4-(4-Chloro-phenyl)-7-[3-(4-hydroxy-tetrahydro-pyr...)
Show SMILES OC1(CCOCC1)c1cccc(COc2ccc3c(c4COC(=O)c4cc3c2)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C30H25ClO5/c31-23-6-4-20(5-7-23)28-25-9-8-24(15-21(25)16-26-27(28)18-36-29(26)32)35-17-19-2-1-3-22(14-19)30(33)10-12-34-13-11-30/h1-9,14-16,33H,10-13,17-18H2
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n/an/a 5.50E+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
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50053520
PNG
(4-(2-Fluoro-phenyl)-7-[3-(4-hydroxy-tetrahydro-pyr...)
Show SMILES OC1(CCOCC1)c1cccc(COc2ccc3c(c4COC(=O)c4cc3c2)-c2ccccc2F)c1
Show InChI InChI=1S/C30H25FO5/c31-27-7-2-1-6-24(27)28-23-9-8-22(15-20(23)16-25-26(28)18-36-29(25)32)35-17-19-4-3-5-21(14-19)30(33)10-12-34-13-11-30/h1-9,14-16,33H,10-13,17-18H2
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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
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
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50040423
PNG
(7-(3-(4-methoxytetrahydro-2H-pyran-4-yl)benzyloxy)...)
Show SMILES COC1(CCOCC1)c1cccc(COc2ccc3c(c4COC(=O)c4cc3c2)-c2ccccc2)c1
Show InChI InChI=1S/C31H28O5/c1-33-31(12-14-34-15-13-31)24-9-5-6-21(16-24)19-35-25-10-11-26-23(17-25)18-27-28(20-36-30(27)32)29(26)22-7-3-2-4-8-22/h2-11,16-18H,12-15,19-20H2,1H3
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n/an/a 14n/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
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50053550
PNG
(7-[3-(4-Hydroxy-tetrahydro-pyran-4-yl)-benzyloxy]-...)
Show SMILES CC1(C)OC(=O)c2cc3cc(OCc4cccc(c4)C4(O)CCOCC4)ccc3c(c12)-c1ccccc1
Show InChI InChI=1S/C32H30O5/c1-31(2)29-27(30(33)37-31)19-23-18-25(11-12-26(23)28(29)22-8-4-3-5-9-22)36-20-21-7-6-10-24(17-21)32(34)13-15-35-16-14-32/h3-12,17-19,34H,13-16,20H2,1-2H3
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n/an/a>6.00E+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
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50053533
PNG
(7-[3-(2,4-Dihydroxy-tetrahydro-pyran-4-yl)-benzylo...)
Show SMILES OC1CC(O)(CCO1)c1cccc(COc2ccc3c(c4COC(=O)c4cc3c2)-c2ccccc2)c1
Show InChI InChI=1S/C30H26O6/c31-27-16-30(33,11-12-34-27)22-8-4-5-19(13-22)17-35-23-9-10-24-21(14-23)15-25-26(18-36-29(25)32)28(24)20-6-2-1-3-7-20/h1-10,13-15,27,31,33H,11-12,16-18H2
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n/an/a 810n/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
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50053551
PNG
(4-(4-Fluoro-phenyl)-7-[3-(4-hydroxy-tetrahydro-pyr...)
Show SMILES OC1(CCOCC1)c1cccc(COc2ccc3c(c4COC(=O)c4cc3c2)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C30H25FO5/c31-23-6-4-20(5-7-23)28-25-9-8-24(15-21(25)16-26-27(28)18-36-29(26)32)35-17-19-2-1-3-22(14-19)30(33)10-12-34-13-11-30/h1-9,14-16,33H,10-13,17-18H2
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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
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
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50053525
PNG
(7-[3-(4-Hydroxy-2,6-dimethyl-tetrahydro-pyran-4-yl...)
Show SMILES CC1CC(O)(CC(C)O1)c1cccc(COc2ccc3c(c4COC(=O)c4cc3c2)-c2ccccc2)c1
Show InChI InChI=1S/C32H30O5/c1-20-16-32(34,17-21(2)37-20)25-10-6-7-22(13-25)18-35-26-11-12-27-24(14-26)15-28-29(19-36-31(28)33)30(27)23-8-4-3-5-9-23/h3-15,20-21,34H,16-19H2,1-2H3
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n/an/a 180n/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
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50040423
PNG
(7-(3-(4-methoxytetrahydro-2H-pyran-4-yl)benzyloxy)...)
Show SMILES COC1(CCOCC1)c1cccc(COc2ccc3c(c4COC(=O)c4cc3c2)-c2ccccc2)c1
Show InChI InChI=1S/C31H28O5/c1-33-31(12-14-34-15-13-31)24-9-5-6-21(16-24)19-35-25-10-11-26-23(17-25)18-27-28(20-36-30(27)32)29(26)22-7-3-2-4-8-22/h2-11,16-18H,12-15,19-20H2,1H3
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n/an/a 14n/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