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Compile Data Set for Download or QSAR

Found 130 hits with Last Name = 'landa' and Initial = 'p'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM13065
PNG
(5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluor...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C17H12ClF3N2O/c1-24-14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3
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TBA

Assay Description
Inhibition of ovine COX-1 assessed as reduction in PGE2 production using 10 uM arachidonic acid as substrate preincubated with enzyme for 5 mins foll...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00004
BindingDB Entry DOI: 10.7270/Q2MP56Z1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50557581
PNG
(CHEMBL4755060)
Show SMILES Fc1ccc(CNc2nc(\C=C\c3ccccc3)nc3cc(ccc23)-c2cccs2)cc1F
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TBA

Assay Description
Competitive inhibition of ovine COX-1 assessed as reduction in PGE2 production using 250 nM arachidonic acid as substrate preincubated with enzyme fo...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00004
BindingDB Entry DOI: 10.7270/Q2MP56Z1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50380205
PNG
(NYMPHAEOL A)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2-[#8]-[#6@@H](-[#6]-[#6](=O)-c2c1-[#8])-c1ccc(-[#8])c(-[#8])c1 |r|
Show InChI InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-9-17-19(27)12-23-24(25(17)30)21(29)13-22(31-23)16-8-10-18(26)20(28)11-16/h5,7-8,10-12,22,26-28,30H,4,6,9,13H2,1-3H3/b15-7+/t22-/m0/s1
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The Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LOX assessed as reduction in leukotriene B4 production pre-incubated for 10 mins before arachidonic acid addition a...


J Nat Prod 80: 999-1006 (2017)


Article DOI: 10.1021/acs.jnatprod.6b01011
BindingDB Entry DOI: 10.7270/Q2668GW1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50468223
PNG
(CHEMBL463675)
Show SMILES [#6]-[#8]-c1cc(cc(-[#8])c1-[#8])-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc2-[#8]-1 |r|
Show InChI InChI=1S/C26H30O7/c1-14(2)6-5-7-15(3)8-9-17-18(27)12-22-24(25(17)30)19(28)13-21(33-22)16-10-20(29)26(31)23(11-16)32-4/h6,8,10-12,21,27,29-31H,5,7,9,13H2,1-4H3/b15-8+/t21-/m0/s1
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The Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LOX assessed as reduction in leukotriene B4 production pre-incubated for 10 mins before arachidonic acid addition a...


J Nat Prod 80: 999-1006 (2017)


Article DOI: 10.1021/acs.jnatprod.6b01011
BindingDB Entry DOI: 10.7270/Q2668GW1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50557581
PNG
(CHEMBL4755060)
Show SMILES Fc1ccc(CNc2nc(\C=C\c3ccccc3)nc3cc(ccc23)-c2cccs2)cc1F
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TBA

Assay Description
Inhibition of ovine COX-1 assessed as reduction in PGE2 production using 10 uM arachidonic acid as substrate preincubated with enzyme for 5 mins foll...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00004
BindingDB Entry DOI: 10.7270/Q2MP56Z1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50557581
PNG
(CHEMBL4755060)
Show SMILES Fc1ccc(CNc2nc(\C=C\c3ccccc3)nc3cc(ccc23)-c2cccs2)cc1F
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TBA

Assay Description
Competitive inhibition of ovine COX-1 assessed as reduction in PGE2 production using 1250 nM arachidonic acid as substrate preincubated with enzyme f...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00004
BindingDB Entry DOI: 10.7270/Q2MP56Z1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50000541
PNG
((+-)-1-(1-Benzo[b]thien-2-ylethyl)-1-hydroxyurea |...)
Show SMILES CC(N(O)C(N)=O)c1cc2ccccc2s1
Show InChI InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)
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n/an/a 100n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LOX assessed as reduction in leukotriene B4 synthesis using arachidonic acid substrate by ELISA


J Nat Prod 82: 1839-1848 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00081
BindingDB Entry DOI: 10.7270/Q2V40ZJH
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50555913
PNG
(CHEMBL4750752)
Show SMILES CCCCCCCCCCCCCCCc1cc(O)cc(OC)c1O
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TBA

Assay Description
Inhibition of human recombinant 5-LOX assessed as reduction in LTB4 level using 800 uM arachidonic acid as substrate preincubated with enzyme for 10 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112620
BindingDB Entry DOI: 10.7270/Q2736VK2
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50557580
PNG
(CHEMBL4796831)
Show SMILES Cc1ccc(Nc2nc(\C=C\c3ccccc3)nc3cc(ccc23)-c2cccs2)cc1
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TBA

Assay Description
Inhibition of ovine COX-1 assessed as reduction in PGE2 production using 10 uM arachidonic acid as substrate preincubated with enzyme for 5 mins foll...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00004
BindingDB Entry DOI: 10.7270/Q2MP56Z1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50557576
PNG
(CHEMBL4763348)
Show SMILES Fc1ccc(CNc2nc(Cl)nc3cc(ccc23)-c2cccs2)cc1F
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TBA

Assay Description
Inhibition of ovine COX-1 assessed as reduction in PGE2 production using 10 uM arachidonic acid as substrate preincubated with enzyme for 5 mins foll...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00004
BindingDB Entry DOI: 10.7270/Q2MP56Z1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50555922
PNG
(CHEMBL4752615)
Show SMILES COC1=CC(=O)C=C(Br)C1OC(C)=O |t:2,6|
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TBA

Assay Description
Inhibition of human recombinant 5-LOX assessed as reduction in LTB4 level using 800 uM arachidonic acid as substrate preincubated with enzyme for 10 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112620
BindingDB Entry DOI: 10.7270/Q2736VK2
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50531315
PNG
(CHEMBL4463619)
Show SMILES CCCCCCCCCCCCCC1=CC(=O)C=C(OC)C1=O |t:13,17|
Show InChI InChI=1S/C20H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15-18(21)16-19(23-2)20(17)22/h15-16H,3-14H2,1-2H3
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TBA

Assay Description
Inhibition of ovine COX-1 assessed as reduction in PGE2 level using 10 uM arachidonic acid as substrate preincubated with enzyme for 5 mins followed ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112620
BindingDB Entry DOI: 10.7270/Q2736VK2
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50557581
PNG
(CHEMBL4755060)
Show SMILES Fc1ccc(CNc2nc(\C=C\c3ccccc3)nc3cc(ccc23)-c2cccs2)cc1F
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TBA

Assay Description
Competitive inhibition of ovine COX-1 assessed as reduction in PGE2 production using 6250 nM arachidonic acid as substrate preincubated with enzyme f...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00004
BindingDB Entry DOI: 10.7270/Q2MP56Z1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50555911
PNG
(CHEMBL4761227)
Show SMILES CCCCCCCCCCCc1cc(O)cc(OC)c1O
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TBA

Assay Description
Inhibition of human recombinant 5-LOX assessed as reduction in LTB4 level using 800 uM arachidonic acid as substrate preincubated with enzyme for 10 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112620
BindingDB Entry DOI: 10.7270/Q2736VK2
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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University of Veterinary and Pharmaceutical Sciences Brno

Curated by ChEMBL


Assay Description
Inhibition of ram seminal vesicle COX-1 assessed as PGE2 production from arachidonic acid after 20 mins enzyme immunoassay


J Nat Prod 74: 614-9 (2011)


Article DOI: 10.1021/np100638h
BindingDB Entry DOI: 10.7270/Q2Z89CRW
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50555910
PNG
(CHEMBL469433)
Show SMILES CCCCCCCCCCCC1=CC(=O)C=C(OC)C1=O |t:11,15|
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TBA

Assay Description
Inhibition of human recombinant 5-LOX assessed as reduction in LTB4 level using 800 uM arachidonic acid as substrate preincubated with enzyme for 10 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112620
BindingDB Entry DOI: 10.7270/Q2736VK2
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50468227
PNG
(CHEMBL3581353)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]C1([#6])[#8]-c2cc3-[#8]-[#6@@H](-[#6]-[#6](=O)-c3c(-[#8])c2-[#6]=[#6]1)-c1cc(-[#8])cc(-[#8])c1 |r,c:23|
Show InChI InChI=1S/C25H26O6/c1-14(2)5-4-7-25(3)8-6-18-21(31-25)13-22-23(24(18)29)19(28)12-20(30-22)15-9-16(26)11-17(27)10-15/h5-6,8-11,13,20,26-27,29H,4,7,12H2,1-3H3/t20-,25?/m0/s1
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The Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LOX assessed as reduction in leukotriene B4 production pre-incubated for 10 mins before arachidonic acid addition a...


J Nat Prod 80: 999-1006 (2017)


Article DOI: 10.1021/acs.jnatprod.6b01011
BindingDB Entry DOI: 10.7270/Q2668GW1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50000541
PNG
((+-)-1-(1-Benzo[b]thien-2-ylethyl)-1-hydroxyurea |...)
Show SMILES CC(N(O)C(N)=O)c1cc2ccccc2s1
Show InChI InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)
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The Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LOX assessed as reduction in leukotriene B4 production pre-incubated for 10 mins before arachidonic acid addition a...


J Nat Prod 80: 999-1006 (2017)


Article DOI: 10.1021/acs.jnatprod.6b01011
BindingDB Entry DOI: 10.7270/Q2668GW1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50468222
PNG
(CHEMBL4293397)
Show SMILES [#6]-[#8]-c1cc(cc(-[#8]-[#6])c1-[#8])-[#6]-1-[#6]-[#6](=O)-c2c(-[#8])c3-[#6]=[#6]C([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#8]-c3cc2-[#8]-1 |c:20|
Show InChI InChI=1S/C27H30O7/c1-15(2)7-6-9-27(3)10-8-17-20(34-27)14-21-24(25(17)29)18(28)13-19(33-21)16-11-22(31-4)26(30)23(12-16)32-5/h7-8,10-12,14,19,29-30H,6,9,13H2,1-5H3
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The Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LOX assessed as reduction in leukotriene B4 production pre-incubated for 10 mins before arachidonic acid addition a...


J Nat Prod 80: 999-1006 (2017)


Article DOI: 10.1021/acs.jnatprod.6b01011
BindingDB Entry DOI: 10.7270/Q2668GW1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50557575
PNG
(CHEMBL4751020)
Show SMILES COc1ccc(CNc2nc(Cl)nc3cc(ccc23)-c2cccs2)cc1
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TBA

Assay Description
Inhibition of ovine COX-1 assessed as reduction in PGE2 production using 10 uM arachidonic acid as substrate preincubated with enzyme for 5 mins foll...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00004
BindingDB Entry DOI: 10.7270/Q2MP56Z1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50278950
PNG
(CHEMBL463842)
Show SMILES [#6]-[#8]-c1cc(cc(-[#8]-[#6])c1-[#8])-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc2-[#8]-1 |r|
Show InChI InChI=1S/C27H32O7/c1-15(2)7-6-8-16(3)9-10-18-19(28)13-22-25(26(18)30)20(29)14-21(34-22)17-11-23(32-4)27(31)24(12-17)33-5/h7,9,11-13,21,28,30-31H,6,8,10,14H2,1-5H3/b16-9+/t21-/m0/s1
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The Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LOX assessed as reduction in leukotriene B4 production pre-incubated for 10 mins before arachidonic acid addition a...


J Nat Prod 80: 999-1006 (2017)


Article DOI: 10.1021/acs.jnatprod.6b01011
BindingDB Entry DOI: 10.7270/Q2668GW1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50510095
PNG
(CHEMBL4465694)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c1\[#6]=[#6]\c1ccc(-[#8])cc1
Show InChI InChI=1S/C24H28O3/c1-16(2)5-12-21-20(14-9-18-7-10-19(25)11-8-18)22(13-6-17(3)4)24(27)15-23(21)26/h5-11,14-15,25-27H,12-13H2,1-4H3/b14-9+
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Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of ram seminal vesicle COX1 assessed as reduction in PGE2 production using arachidonic acid substrate by ELISA


J Nat Prod 82: 1839-1848 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00081
BindingDB Entry DOI: 10.7270/Q2V40ZJH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50555911
PNG
(CHEMBL4761227)
Show SMILES CCCCCCCCCCCc1cc(O)cc(OC)c1O
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TBA

Assay Description
Inhibition of human recombinant COX-2 assessed as reduction in PGE2 level using 10 uM arachidonic acid as substrate preincubated with enzyme for 5 mi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112620
BindingDB Entry DOI: 10.7270/Q2736VK2
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50555910
PNG
(CHEMBL469433)
Show SMILES CCCCCCCCCCCC1=CC(=O)C=C(OC)C1=O |t:11,15|
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TBA

Assay Description
Inhibition of human recombinant COX-2 assessed as reduction in PGE2 level using 10 uM arachidonic acid as substrate preincubated with enzyme for 5 mi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112620
BindingDB Entry DOI: 10.7270/Q2736VK2
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50000541
PNG
((+-)-1-(1-Benzo[b]thien-2-ylethyl)-1-hydroxyurea |...)
Show SMILES CC(N(O)C(N)=O)c1cc2ccccc2s1
Show InChI InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)
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TBA

Assay Description
Inhibition of human recombinant 5-LOX assessed as reduction in LTB4 level using 800 uM arachidonic acid as substrate preincubated with enzyme for 10 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112620
BindingDB Entry DOI: 10.7270/Q2736VK2
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50555910
PNG
(CHEMBL469433)
Show SMILES CCCCCCCCCCCC1=CC(=O)C=C(OC)C1=O |t:11,15|
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TBA

Assay Description
Inhibition of human recombinant 5-LOX assessed as reduction in LTB4 level using 5 to 80 uM arachidonic acid as substrate preincubated with enzyme for...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112620
BindingDB Entry DOI: 10.7270/Q2736VK2
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50557578
PNG
(CHEMBL4760459)
Show SMILES Cc1ccc(Nc2nc(\C=C\c3ccccc3)nc3cc(Br)ccc23)cc1
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TBA

Assay Description
Inhibition of ovine COX-1 assessed as reduction in PGE2 production using 10 uM arachidonic acid as substrate preincubated with enzyme for 5 mins foll...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00004
BindingDB Entry DOI: 10.7270/Q2MP56Z1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50531316
PNG
(CHEMBL4550999)
Show SMILES CCCCCCCCCCCCCCCC1=CC(=O)C=C(OC)C1=O |t:15,19|
Show InChI InChI=1S/C22H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17-20(23)18-21(25-2)22(19)24/h17-18H,3-16H2,1-2H3
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TBA

Assay Description
Inhibition of human recombinant 5-LOX assessed as reduction in LTB4 level using 800 uM arachidonic acid as substrate preincubated with enzyme for 10 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112620
BindingDB Entry DOI: 10.7270/Q2736VK2
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50555910
PNG
(CHEMBL469433)
Show SMILES CCCCCCCCCCCC1=CC(=O)C=C(OC)C1=O |t:11,15|
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TBA

Assay Description
Competitive inhibition of ovine COX-1 assessed as reduction in PGE2 level using 50 nM arachidonic acid as substrate preincubated with enzyme for 5 mi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112620
BindingDB Entry DOI: 10.7270/Q2736VK2
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50510097
PNG
(CHEMBL4553272)
Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]\c2c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc(-[#8])c2-[#6]\[#6]=[#6](\[#6])-[#6])cc1
Show InChI InChI=1S/C25H30O3/c1-17(2)6-13-22-21(15-10-19-8-11-20(28-5)12-9-19)23(14-7-18(3)4)25(27)16-24(22)26/h6-12,15-16,26-27H,13-14H2,1-5H3/b15-10+
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n/an/a 800n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of ram seminal vesicle COX1 assessed as reduction in PGE2 production using arachidonic acid substrate by ELISA


J Nat Prod 82: 1839-1848 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00081
BindingDB Entry DOI: 10.7270/Q2V40ZJH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50531315
PNG
(CHEMBL4463619)
Show SMILES CCCCCCCCCCCCCC1=CC(=O)C=C(OC)C1=O |t:13,17|
Show InChI InChI=1S/C20H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15-18(21)16-19(23-2)20(17)22/h15-16H,3-14H2,1-2H3
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TBA

Assay Description
Inhibition of human recombinant COX-2 assessed as reduction in PGE2 level using 10 uM arachidonic acid as substrate preincubated with enzyme for 5 mi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112620
BindingDB Entry DOI: 10.7270/Q2736VK2
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50510095
PNG
(CHEMBL4465694)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c1\[#6]=[#6]\c1ccc(-[#8])cc1
Show InChI InChI=1S/C24H28O3/c1-16(2)5-12-21-20(14-9-18-7-10-19(25)11-8-18)22(13-6-17(3)4)24(27)15-23(21)26/h5-11,14-15,25-27H,12-13H2,1-4H3/b14-9+
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n/an/a 900n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LOX assessed as reduction in leukotriene B4 synthesis using arachidonic acid substrate by ELISA


J Nat Prod 82: 1839-1848 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00081
BindingDB Entry DOI: 10.7270/Q2V40ZJH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50510098
PNG
(CHEMBL4515706)
Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]\c2c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc(-[#8])c2-[#6]\[#6]=[#6](\[#6])-[#6])cc1-[#8]
Show InChI InChI=1S/C25H30O4/c1-16(2)6-10-20-19(12-8-18-9-13-25(29-5)24(28)14-18)21(11-7-17(3)4)23(27)15-22(20)26/h6-9,12-15,26-28H,10-11H2,1-5H3/b12-8+
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Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of ram seminal vesicle COX1 assessed as reduction in PGE2 production using arachidonic acid substrate by ELISA


J Nat Prod 82: 1839-1848 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00081
BindingDB Entry DOI: 10.7270/Q2V40ZJH
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50510098
PNG
(CHEMBL4515706)
Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]\c2c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc(-[#8])c2-[#6]\[#6]=[#6](\[#6])-[#6])cc1-[#8]
Show InChI InChI=1S/C25H30O4/c1-16(2)6-10-20-19(12-8-18-9-13-25(29-5)24(28)14-18)21(11-7-17(3)4)23(27)15-22(20)26/h6-9,12-15,26-28H,10-11H2,1-5H3/b12-8+
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Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LOX assessed as reduction in leukotriene B4 synthesis using arachidonic acid substrate by ELISA


J Nat Prod 82: 1839-1848 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00081
BindingDB Entry DOI: 10.7270/Q2V40ZJH
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50555919
PNG
(CHEMBL4783791)
Show SMILES CCCCCc1cc(O)cc(OC)c1O
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TBA

Assay Description
Inhibition of human recombinant 5-LOX assessed as reduction in LTB4 level using 800 uM arachidonic acid as substrate preincubated with enzyme for 10 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112620
BindingDB Entry DOI: 10.7270/Q2736VK2
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50555917
PNG
(CHEMBL4764453)
Show SMILES CCCCCC1=CC(=O)C=C(OC)C1=N |t:5,9|
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n/an/a 1.01E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant 5-LOX assessed as reduction in LTB4 level using 800 uM arachidonic acid as substrate preincubated with enzyme for 10 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112620
BindingDB Entry DOI: 10.7270/Q2736VK2
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50555921
PNG
(CHEMBL4759223)
Show SMILES CCCCCCCCCCCCCc1cc(OC(C)=O)cc(OC)c1OC(C)=O
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n/an/a 1.02E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant 5-LOX assessed as reduction in LTB4 level using 800 uM arachidonic acid as substrate preincubated with enzyme for 10 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112620
BindingDB Entry DOI: 10.7270/Q2736VK2
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM13065
PNG
(5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluor...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C17H12ClF3N2O/c1-24-14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3
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n/an/a 1.03E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant COX-2 assessed as reduction in PGE2 production using 10 uM arachidonic acid as substrate preincubated with enzyme for...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00004
BindingDB Entry DOI: 10.7270/Q2MP56Z1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50531315
PNG
(CHEMBL4463619)
Show SMILES CCCCCCCCCCCCCC1=CC(=O)C=C(OC)C1=O |t:13,17|
Show InChI InChI=1S/C20H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15-18(21)16-19(23-2)20(17)22/h15-16H,3-14H2,1-2H3
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n/an/a 1.05E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant 5-LOX assessed as reduction in LTB4 level using 800 uM arachidonic acid as substrate preincubated with enzyme for 10 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112620
BindingDB Entry DOI: 10.7270/Q2736VK2
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50555911
PNG
(CHEMBL4761227)
Show SMILES CCCCCCCCCCCc1cc(O)cc(OC)c1O
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n/an/a 1.07E+3n/an/an/an/an/an/a


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Assay Description
Inhibition of ovine COX-1 assessed as reduction in PGE2 level using 10 uM arachidonic acid as substrate preincubated with enzyme for 5 mins followed ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112620
BindingDB Entry DOI: 10.7270/Q2736VK2
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50555910
PNG
(CHEMBL469433)
Show SMILES CCCCCCCCCCCC1=CC(=O)C=C(OC)C1=O |t:11,15|
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Assay Description
Inhibition of ovine COX-1 assessed as reduction in PGE2 level using 10 uM arachidonic acid as substrate preincubated with enzyme for 5 mins followed ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112620
BindingDB Entry DOI: 10.7270/Q2736VK2
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50555920
PNG
(CHEMBL4749311)
Show SMILES CCCCCc1cc(OC(C)=O)cc(OC)c1OC(C)=O
PDB
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n/an/a 1.09E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant 5-LOX assessed as reduction in LTB4 level using 800 uM arachidonic acid as substrate preincubated with enzyme for 10 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112620
BindingDB Entry DOI: 10.7270/Q2736VK2
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50510097
PNG
(CHEMBL4553272)
Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]\c2c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc(-[#8])c2-[#6]\[#6]=[#6](\[#6])-[#6])cc1
Show InChI InChI=1S/C25H30O3/c1-17(2)6-13-22-21(15-10-19-8-11-20(28-5)12-9-19)23(14-7-18(3)4)25(27)16-24(22)26/h6-12,15-16,26-27H,13-14H2,1-5H3/b15-10+
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n/an/a 1.10E+3n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LOX assessed as reduction in leukotriene B4 synthesis using arachidonic acid substrate by ELISA


J Nat Prod 82: 1839-1848 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00081
BindingDB Entry DOI: 10.7270/Q2V40ZJH
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50555915
PNG
(CHEMBL4742702)
Show SMILES COc1cc(O)cc(Br)c1O
PDB
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n/an/a 1.14E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant 5-LOX assessed as reduction in LTB4 level using 800 uM arachidonic acid as substrate preincubated with enzyme for 10 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112620
BindingDB Entry DOI: 10.7270/Q2736VK2
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50555909
PNG
(CHEBI:8413 | Primin)
Show SMILES CCCCCC1=CC(=O)C=C(OC)C1=O |t:5,9|
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n/an/a 1.37E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant 5-LOX assessed as reduction in LTB4 level using 800 uM arachidonic acid as substrate preincubated with enzyme for 10 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112620
BindingDB Entry DOI: 10.7270/Q2736VK2
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50557577
PNG
(CHEMBL4795293)
Show SMILES Fc1ccc(CNc2nc(nc3cc(ccc23)-c2cccs2)N2CCOCC2)cc1F
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n/an/a 1.39E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ovine COX-1 assessed as reduction in PGE2 production using 10 uM arachidonic acid as substrate preincubated with enzyme for 5 mins foll...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00004
BindingDB Entry DOI: 10.7270/Q2MP56Z1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50555912
PNG
(CHEMBL4798135)
Show SMILES CCCCCCCCCCCCCc1cc(O)cc(OC)c1O
PDB
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n/an/a 1.49E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant 5-LOX assessed as reduction in LTB4 level using 800 uM arachidonic acid as substrate preincubated with enzyme for 10 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112620
BindingDB Entry DOI: 10.7270/Q2736VK2
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50193718
PNG
(2-(2,4-dihydroxy-phenyl)-5-hydroxy-8,8-dimethyl-3-...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(oc2cc3-[#8]C([#6])([#6])[#6]=[#6]-c3c(-[#8])c2c1=O)-c1ccc(-[#8])cc1-[#8] |c:15|
Show InChI InChI=1S/C25H24O6/c1-13(2)5-7-17-23(29)21-20(30-24(17)15-8-6-14(26)11-18(15)27)12-19-16(22(21)28)9-10-25(3,4)31-19/h5-6,8-12,26-28H,7H2,1-4H3
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Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



University of Veterinary and Pharmaceutical Sciences Brno

Curated by ChEMBL


Assay Description
Inhibition of ram seminal vesicle COX-1 assessed as PGE2 production from arachidonic acid after 20 mins enzyme immunoassay


J Nat Prod 74: 614-9 (2011)


Article DOI: 10.1021/np100638h
BindingDB Entry DOI: 10.7270/Q2Z89CRW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50555912
PNG
(CHEMBL4798135)
Show SMILES CCCCCCCCCCCCCc1cc(O)cc(OC)c1O
PDB
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n/an/a 1.55E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant COX-2 assessed as reduction in PGE2 level using 10 uM arachidonic acid as substrate preincubated with enzyme for 5 mi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112620
BindingDB Entry DOI: 10.7270/Q2736VK2
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50557571
PNG
(CHEMBL4789884)
Show SMILES Cc1ccc(Nc2nc(\C=C\c3ccccc3)nc3ccccc23)cc1
PDB

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n/an/a 1.57E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ovine COX-1 assessed as reduction in PGE2 production using 10 uM arachidonic acid as substrate preincubated with enzyme for 5 mins foll...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00004
BindingDB Entry DOI: 10.7270/Q2MP56Z1
More data for this
Ligand-Target Pair
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