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8 similar compounds to monomer 50446681

Compile data set for download or QSAR
Wt: 396.4
BDBM50429119
Wt: 440.4
BDBM50446677
Wt: 472.4
BDBM50446678
Wt: 529.5
BDBM50446680
Wt: 454.4
BDBM50446682
Wt: 500.5
BDBM50446683
Wt: 543.5
BDBM50446685
Wt: 414.4
BDBM50446686

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50429119,50446677,50446678,50446680,50446682,50446683,50446685,50446686   
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))
BDBM50446686
PNG
(CHEMBL3113612)
Show SMILES COC(=O)CNC(=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C20H18N2O6S/c1-13-7-9-14(10-8-13)29(26,27)22-12-16(15-5-3-4-6-17(15)22)19(24)20(25)21-11-18(23)28-2/h3-10,12H,11H2,1-2H3,(H,21,25)
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9.5n/an/an/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX (unknown origin) by UV-Vis spectrophotometry


Bioorg Med Chem 22: 1642-8 (2014)


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


(Homo sapiens (Human))
BDBM50446680
PNG
(CHEMBL3113618)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(O)=O)c2ccccc12
Show InChI InChI=1S/C28H23N3O6S/c1-17-10-12-19(13-11-17)38(36,37)31-16-22(21-7-3-5-9-25(21)31)26(32)27(33)30-24(28(34)35)14-18-15-29-23-8-4-2-6-20(18)23/h2-13,15-16,24,29H,14H2,1H3,(H,30,33)(H,34,35)/t24-/m1/s1
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9.90n/an/an/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX (unknown origin) by UV-Vis spectrophotometry


Bioorg Med Chem 22: 1642-8 (2014)


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


(Homo sapiens (Human))
BDBM50446685
PNG
(CHEMBL3113613)
Show SMILES COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C29H25N3O6S/c1-18-11-13-20(14-12-18)39(36,37)32-17-23(22-8-4-6-10-26(22)32)27(33)28(34)31-25(29(35)38-2)15-19-16-30-24-9-5-3-7-21(19)24/h3-14,16-17,25,30H,15H2,1-2H3,(H,31,34)/t25-/m1/s1
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37n/an/an/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX (unknown origin) by UV-Vis spectrophotometry


Bioorg Med Chem 22: 1642-8 (2014)


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


(Homo sapiens (Human))
BDBM50446678
PNG
(CHEMBL3113620)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)N[C@H](CCC(O)=O)C(O)=O)c2ccccc12
Show InChI InChI=1S/C22H20N2O8S/c1-13-6-8-14(9-7-13)33(31,32)24-12-16(15-4-2-3-5-18(15)24)20(27)21(28)23-17(22(29)30)10-11-19(25)26/h2-9,12,17H,10-11H2,1H3,(H,23,28)(H,25,26)(H,29,30)/t17-/m1/s1
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95n/an/an/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX (unknown origin) by UV-Vis spectrophotometry


Bioorg Med Chem 22: 1642-8 (2014)


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


(Homo sapiens (Human))
BDBM50446682
PNG
(CHEMBL3113616)
Show SMILES COC(=O)[C@H]1CCCN1C(=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C23H22N2O6S/c1-15-9-11-16(12-10-15)32(29,30)25-14-18(17-6-3-4-7-19(17)25)21(26)22(27)24-13-5-8-20(24)23(28)31-2/h3-4,6-7,9-12,14,20H,5,8,13H2,1-2H3/t20-/m1/s1
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320n/an/an/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX (unknown origin) by UV-Vis spectrophotometry


Bioorg Med Chem 22: 1642-8 (2014)


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


(Homo sapiens (Human))
BDBM50446677
PNG
(CHEMBL3113621)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)N2CCC[C@@H]2C(O)=O)c2ccccc12
Show InChI InChI=1S/C22H20N2O6S/c1-14-8-10-15(11-9-14)31(29,30)24-13-17(16-5-2-3-6-18(16)24)20(25)21(26)23-12-4-7-19(23)22(27)28/h2-3,5-6,8-11,13,19H,4,7,12H2,1H3,(H,27,28)/t19-/m1/s1
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510n/an/an/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX (unknown origin) by UV-Vis spectrophotometry


Bioorg Med Chem 22: 1642-8 (2014)


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


(Homo sapiens (Human))
BDBM50446683
PNG
(CHEMBL3113615)
Show SMILES COC(=O)CC[C@@H](NC(=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1)C(=O)OC
Show InChI InChI=1S/C24H24N2O8S/c1-15-8-10-16(11-9-15)35(31,32)26-14-18(17-6-4-5-7-20(17)26)22(28)23(29)25-19(24(30)34-3)12-13-21(27)33-2/h4-11,14,19H,12-13H2,1-3H3,(H,25,29)/t19-/m1/s1
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820n/an/an/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX (unknown origin) by UV-Vis spectrophotometry


Bioorg Med Chem 22: 1642-8 (2014)


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


(Homo sapiens (Human))
BDBM50446682
PNG
(CHEMBL3113616)
Show SMILES COC(=O)[C@H]1CCCN1C(=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C23H22N2O6S/c1-15-9-11-16(12-10-15)32(29,30)25-14-18(17-6-3-4-7-19(17)25)21(26)22(27)24-13-5-8-20(24)23(28)31-2/h3-4,6-7,9-12,14,20H,5,8,13H2,1-2H3/t20-/m1/s1
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n/an/a 330n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


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


Bioorg Med Chem 22: 1642-8 (2014)


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


(Homo sapiens (Human))
BDBM50446683
PNG
(CHEMBL3113615)
Show SMILES COC(=O)CC[C@@H](NC(=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1)C(=O)OC
Show InChI InChI=1S/C24H24N2O8S/c1-15-8-10-16(11-9-15)35(31,32)26-14-18(17-6-4-5-7-20(17)26)22(28)23(29)25-19(24(30)34-3)12-13-21(27)33-2/h4-11,14,19H,12-13H2,1-3H3,(H,25,29)/t19-/m1/s1
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n/an/a 900n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


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


Bioorg Med Chem 22: 1642-8 (2014)


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


(Homo sapiens (Human))
BDBM50446685
PNG
(CHEMBL3113613)
Show SMILES COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C29H25N3O6S/c1-18-11-13-20(14-12-18)39(36,37)32-17-23(22-8-4-6-10-26(22)32)27(33)28(34)31-25(29(35)38-2)15-19-16-30-24-9-5-3-7-21(19)24/h3-14,16-17,25,30H,15H2,1-2H3,(H,31,34)/t25-/m1/s1
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n/an/a 52n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


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


Bioorg Med Chem 22: 1642-8 (2014)


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


(Homo sapiens (Human))
BDBM50446686
PNG
(CHEMBL3113612)
Show SMILES COC(=O)CNC(=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C20H18N2O6S/c1-13-7-9-14(10-8-13)29(26,27)22-12-16(15-5-3-4-6-17(15)22)19(24)20(25)21-11-18(23)28-2/h3-10,12H,11H2,1-2H3,(H,21,25)
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n/an/a 9.70n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


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


Bioorg Med Chem 22: 1642-8 (2014)


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


(Homo sapiens (Human))
BDBM50446680
PNG
(CHEMBL3113618)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(O)=O)c2ccccc12
Show InChI InChI=1S/C28H23N3O6S/c1-17-10-12-19(13-11-17)38(36,37)31-16-22(21-7-3-5-9-25(21)31)26(32)27(33)30-24(28(34)35)14-18-15-29-23-8-4-2-6-20(18)23/h2-13,15-16,24,29H,14H2,1H3,(H,30,33)(H,34,35)/t24-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


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


Bioorg Med Chem 22: 1642-8 (2014)


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


(Homo sapiens (Human))
BDBM50446678
PNG
(CHEMBL3113620)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)N[C@H](CCC(O)=O)C(O)=O)c2ccccc12
Show InChI InChI=1S/C22H20N2O8S/c1-13-6-8-14(9-7-13)33(31,32)24-12-16(15-4-2-3-5-18(15)24)20(27)21(28)23-17(22(29)30)10-11-19(25)26/h2-9,12,17H,10-11H2,1H3,(H,23,28)(H,25,26)(H,29,30)/t17-/m1/s1
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n/an/a 97n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


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


Bioorg Med Chem 22: 1642-8 (2014)


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


(Homo sapiens (Human))
BDBM50446677
PNG
(CHEMBL3113621)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)N2CCC[C@@H]2C(O)=O)c2ccccc12
Show InChI InChI=1S/C22H20N2O6S/c1-14-8-10-15(11-9-14)31(29,30)24-13-17(16-5-2-3-6-18(16)24)20(25)21(26)23-12-4-7-19(23)22(27)28/h2-3,5-6,8-11,13,19H,4,7,12H2,1H3,(H,27,28)/t19-/m1/s1
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n/an/a 600n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


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


Bioorg Med Chem 22: 1642-8 (2014)


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


(Homo sapiens (Human))
BDBM50446686
PNG
(CHEMBL3113612)
Show SMILES COC(=O)CNC(=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C20H18N2O6S/c1-13-7-9-14(10-8-13)29(26,27)22-12-16(15-5-3-4-6-17(15)22)19(24)20(25)21-11-18(23)28-2/h3-10,12H,11H2,1-2H3,(H,21,25)
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n/an/a 8n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


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


Bioorg Med Chem 22: 1642-8 (2014)


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


(Homo sapiens (Human))
BDBM50429119
PNG
(CHEMBL2336206)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)N2CCCC2)c2ccccc12
Show InChI InChI=1S/C21H20N2O4S/c1-15-8-10-16(11-9-15)28(26,27)23-14-18(17-6-2-3-7-19(17)23)20(24)21(25)22-12-4-5-13-22/h2-3,6-11,14H,4-5,12-13H2,1H3
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n/an/a 600n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 1433-7 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.068
BindingDB Entry DOI: 10.7270/Q21G0NMP
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50446683
PNG
(CHEMBL3113615)
Show SMILES COC(=O)CC[C@@H](NC(=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1)C(=O)OC
Show InChI InChI=1S/C24H24N2O8S/c1-15-8-10-16(11-9-15)35(31,32)26-14-18(17-6-4-5-7-20(17)26)22(28)23(29)25-19(24(30)34-3)12-13-21(27)33-2/h4-11,14,19H,12-13H2,1-3H3,(H,25,29)/t19-/m1/s1
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n/an/a 130n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


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


Bioorg Med Chem 22: 1642-8 (2014)


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


(Homo sapiens (Human))
BDBM50446682
PNG
(CHEMBL3113616)
Show SMILES COC(=O)[C@H]1CCCN1C(=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C23H22N2O6S/c1-15-9-11-16(12-10-15)32(29,30)25-14-18(17-6-3-4-7-19(17)25)21(26)22(27)24-13-5-8-20(24)23(28)31-2/h3-4,6-7,9-12,14,20H,5,8,13H2,1-2H3/t20-/m1/s1
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n/an/a 750n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


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


Bioorg Med Chem 22: 1642-8 (2014)


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


(Homo sapiens (Human))
BDBM50446685
PNG
(CHEMBL3113613)
Show SMILES COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C29H25N3O6S/c1-18-11-13-20(14-12-18)39(36,37)32-17-23(22-8-4-6-10-26(22)32)27(33)28(34)31-25(29(35)38-2)15-19-16-30-24-9-5-3-7-21(19)24/h3-14,16-17,25,30H,15H2,1-2H3,(H,31,34)/t25-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


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


Bioorg Med Chem 22: 1642-8 (2014)


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