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Compile Data Set for Download or QSAR

Found 16 hits of ki data for polymerid = 2259,50007210   
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))
BDBM50446681
PNG
(CHEMBL3113617)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)NCC(O)=O)c2ccccc12
Show InChI InChI=1S/C19H16N2O6S/c1-12-6-8-13(9-7-12)28(26,27)21-11-15(14-4-2-3-5-16(14)21)18(24)19(25)20-10-17(22)23/h2-9,11H,10H2,1H3,(H,20,25)(H,22,23)
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8.40n/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))
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))
BDBM50006819
PNG
(2-(4-Benzyloxy-phenyl)-N-hydroxy-N-phenethyl-aceta...)
Show SMILES ON(CCc1ccccc1)C(=O)Cc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C23H23NO3/c25-23(24(26)16-15-19-7-3-1-4-8-19)17-20-11-13-22(14-12-20)27-18-21-9-5-2-6-10-21/h1-14,26H,15-18H2
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100n/an/an/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Invitro inhibitory activity against polymorphonuclear leukocyte 5-lipoxygenase in human cell


J Med Chem 32: 1836-42 (1989)


Article DOI: 10.1021/jm00128a027
BindingDB Entry DOI: 10.7270/Q2VT1R21
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))
BDBM50446679
PNG
(CHEMBL3113619)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)N[C@H](Cc2cnc[nH]2)C(O)=O)c2ccccc12
Show InChI InChI=1S/C23H20N4O6S/c1-14-6-8-16(9-7-14)34(32,33)27-12-18(17-4-2-3-5-20(17)27)21(28)22(29)26-19(23(30)31)10-15-11-24-13-25-15/h2-9,11-13,19H,10H2,1H3,(H,24,25)(H,26,29)(H,30,31)/t19-/m1/s1
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2.53E+3n/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))
BDBM50446684
PNG
(CHEMBL3113614)
Show SMILES COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C24H22N4O6S/c1-15-7-9-17(10-8-15)35(32,33)28-13-19(18-5-3-4-6-21(18)28)22(29)23(30)27-20(24(31)34-2)11-16-12-25-14-26-16/h3-10,12-14,20H,11H2,1-2H3,(H,25,26)(H,27,30)/t20-/m1/s1
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4.16E+3n/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))
BDBM86691
PNG
(K604)
Show SMILES CC1CC(N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1
Show InChI InChI=1S/C27H26N2O2/c1-19-18-25(29(27(31)21-16-17-21)22-12-6-3-7-13-22)23-14-8-9-15-24(23)28(19)26(30)20-10-4-2-5-11-20/h2-15,19,21,25H,16-18H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM86693
PNG
(K376)
Show SMILES CCC(=O)N1C(C)CC(N(C(C)=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C21H24N2O2/c1-4-21(25)22-15(2)14-20(18-12-8-9-13-19(18)22)23(16(3)24)17-10-6-5-7-11-17/h5-13,15,20H,4,14H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM86692
PNG
(K117)
Show SMILES CC(C)C(=O)N(C1CC(C)N(C(=O)c2ccccc2)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C27H28N2O2/c1-19(2)26(30)29(22-14-8-5-9-15-22)25-18-20(3)28(24-17-11-10-16-23(24)25)27(31)21-12-6-4-7-13-21/h4-17,19-20,25H,18H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50444319
PNG
(CHEMBL3094153)
Show SMILES CC(C)CCCC(C)CCOc1ccc(COc2cccc(O)c2C([O-])=O)cc1
Show InChI InChI=1S/C24H32O5/c1-17(2)6-4-7-18(3)14-15-28-20-12-10-19(11-13-20)16-29-22-9-5-8-21(25)23(22)24(26)27/h5,8-13,17-18,25H,4,6-7,14-16H2,1-3H3,(H,26,27)/p-1
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7.03E+4n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity to human 5-LOX using linoleic acid as substrate


Bioorg Med Chem 21: 7763-78 (2013)


Article DOI: 10.1016/j.bmc.2013.10.015
BindingDB Entry DOI: 10.7270/Q2HD7X3K
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50444319
PNG
(CHEMBL3094153)
Show SMILES CC(C)CCCC(C)CCOc1ccc(COc2cccc(O)c2C([O-])=O)cc1
Show InChI InChI=1S/C24H32O5/c1-17(2)6-4-7-18(3)14-15-28-20-12-10-19(11-13-20)16-29-22-9-5-8-21(25)23(22)24(26)27/h5,8-13,17-18,25H,4,6-7,14-16H2,1-3H3,(H,26,27)/p-1
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1.40E+5n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity to human 5-LOX-linoleic acid complex


Bioorg Med Chem 21: 7763-78 (2013)


Article DOI: 10.1016/j.bmc.2013.10.015
BindingDB Entry DOI: 10.7270/Q2HD7X3K
More data for this
Ligand-Target Pair