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Compile Data Set for Download or QSAR

Found 53 hits Enz. Inhib. hit(s) with all data for entry = 50012255   
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
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50555913
PNG
(CHEMBL4750752)
Show SMILES CCCCCCCCCCCCCCCc1cc(O)cc(OC)c1O
PDB
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n/an/a 140n/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))
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
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50555911
PNG
(CHEMBL4761227)
Show SMILES CCCCCCCCCCCc1cc(O)cc(OC)c1O
PDB
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n/an/a 280n/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))
BDBM50555910
PNG
(CHEMBL469433)
Show SMILES CCCCCCCCCCCC1=CC(=O)C=C(OC)C1=O |t:11,15|
PDB
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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 2


(Homo sapiens (Human))
BDBM50555911
PNG
(CHEMBL4761227)
Show SMILES CCCCCCCCCCCc1cc(O)cc(OC)c1O
PDB
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n/an/a 550n/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 2


(Homo sapiens (Human))
BDBM50555910
PNG
(CHEMBL469433)
Show SMILES CCCCCCCCCCCC1=CC(=O)C=C(OC)C1=O |t:11,15|
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n/an/a 570n/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
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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n/an/a 710n/an/an/an/an/an/a


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
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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n/an/a 800n/an/an/an/an/an/a


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 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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n/an/a 880n/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
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50555919
PNG
(CHEMBL4783791)
Show SMILES CCCCCc1cc(O)cc(OC)c1O
PDB
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n/an/a 940n/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))
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
PDB
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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
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))
BDBM50555910
PNG
(CHEMBL469433)
Show SMILES CCCCCCCCCCCC1=CC(=O)C=C(OC)C1=O |t:11,15|
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n/an/a 1.07E+3n/an/an/an/an/an/a


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))
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


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
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50555920
PNG
(CHEMBL4749311)
Show SMILES CCCCCc1cc(OC(C)=O)cc(OC)c1OC(C)=O
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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))
BDBM50555915
PNG
(CHEMBL4742702)
Show SMILES COc1cc(O)cc(Br)c1O
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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|
PDB
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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
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 2


(Homo sapiens (Human))
BDBM50555912
PNG
(CHEMBL4798135)
Show SMILES CCCCCCCCCCCCCc1cc(O)cc(OC)c1O
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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
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50555916
PNG
(CHEMBL4781249)
Show SMILES COC1=CC(=O)C=C(Br)C1=O |t:2,6|
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n/an/a 1.67E+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))
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 1.90E+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 2


(Homo sapiens (Human))
BDBM50555908
PNG
(3-Pentadecylresorcinol | 5-Pentadecylresorcinol | ...)
Show SMILES CCCCCCCCCCCCCCCc1cc(O)cc(O)c1
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n/an/a 2.36E+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))
BDBM50259933
PNG
(5-tridecyl resorcinol | 6-tridecylresorcylic acid ...)
Show SMILES CCCCCCCCCCCCCc1cc(O)cc(O)c1
Show InChI InChI=1S/C19H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-14-18(20)16-19(21)15-17/h14-16,20-21H,2-13H2,1H3
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n/an/a 2.38E+3n/an/an/an/an/an/a


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 2


(Homo sapiens (Human))
BDBM50169047
PNG
((S)-2-(4-Isobutyl-phenyl)-propionic acid | (S)-2-(...)
Show SMILES CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O |r|
Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m0/s1
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n/an/a 2.46E+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
3D
3D Structure (crystal)
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50555913
PNG
(CHEMBL4750752)
Show SMILES CCCCCCCCCCCCCCCc1cc(O)cc(OC)c1O
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n/an/a 2.65E+3n/an/an/an/an/an/a


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 2


(Homo sapiens (Human))
BDBM50555913
PNG
(CHEMBL4750752)
Show SMILES CCCCCCCCCCCCCCCc1cc(O)cc(OC)c1O
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n/an/a 2.71E+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 2


(Homo sapiens (Human))
BDBM50259933
PNG
(5-tridecyl resorcinol | 6-tridecylresorcylic acid ...)
Show SMILES CCCCCCCCCCCCCc1cc(O)cc(O)c1
Show InChI InChI=1S/C19H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-14-18(20)16-19(21)15-17/h14-16,20-21H,2-13H2,1H3
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n/an/a 2.74E+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))
BDBM50555910
PNG
(CHEMBL469433)
Show SMILES CCCCCCCCCCCC1=CC(=O)C=C(OC)C1=O |t:11,15|
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n/an/a 2.77E+3n/an/an/an/an/an/a


TBA

Assay Description
Competitive inhibition of ovine COX-1 assessed as reduction in PGE2 level using 250 nM arachidonic acid as substrate preincubated with enzyme for 5 m...


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))
BDBM50555912
PNG
(CHEMBL4798135)
Show SMILES CCCCCCCCCCCCCc1cc(O)cc(OC)c1O
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n/an/a 3.38E+3n/an/an/an/an/an/a


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
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50555914
PNG
(CHEMBL4739960)
Show SMILES CCCCCc1cccc(OC)c1O
PDB
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n/an/a 3.72E+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))
BDBM50555916
PNG
(CHEMBL4781249)
Show SMILES COC1=CC(=O)C=C(Br)C1=O |t:2,6|
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n/an/a 4.48E+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))
BDBM50169047
PNG
((S)-2-(4-Isobutyl-phenyl)-propionic acid | (S)-2-(...)
Show SMILES CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O |r|
Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m0/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a


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
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50555914
PNG
(CHEMBL4739960)
Show SMILES CCCCCc1cccc(OC)c1O
PDB
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n/an/a 4.65E+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 2


(Homo sapiens (Human))
BDBM50555915
PNG
(CHEMBL4742702)
Show SMILES COc1cc(O)cc(Br)c1O
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n/an/a 4.81E+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))
BDBM50169047
PNG
((S)-2-(4-Isobutyl-phenyl)-propionic acid | (S)-2-(...)
Show SMILES CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O |r|
Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m0/s1
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n/an/a 4.96E+3n/an/an/an/an/an/a


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
3D
3D Structure (crystal)
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50555914
PNG
(CHEMBL4739960)
Show SMILES CCCCCc1cccc(OC)c1O
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n/an/a 5.42E+3n/an/an/an/an/an/a


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))
BDBM50555908
PNG
(3-Pentadecylresorcinol | 5-Pentadecylresorcinol | ...)
Show SMILES CCCCCCCCCCCCCCCc1cc(O)cc(O)c1
PDB

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n/an/a 5.61E+3n/an/an/an/an/an/a


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 2


(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 5.82E+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))
BDBM50555915
PNG
(CHEMBL4742702)
Show SMILES COc1cc(O)cc(Br)c1O
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n/an/a 6.11E+3n/an/an/an/an/an/a


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 2


(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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n/an/a 8.97E+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))
BDBM50555907
PNG
(CHEBI:66960 | While Olivetol)
Show SMILES CCCCCc1cc(O)cc(O)c1
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n/an/a 1.36E+4n/an/an/an/an/an/a


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))
BDBM50555916
PNG
(CHEMBL4781249)
Show SMILES COC1=CC(=O)C=C(Br)C1=O |t:2,6|
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n/an/a 1.56E+4n/an/an/an/an/an/a


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))
BDBM50555917
PNG
(CHEMBL4764453)
Show SMILES CCCCCC1=CC(=O)C=C(OC)C1=N |t:5,9|
PDB

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n/an/a 1.58E+4n/an/an/an/an/an/a


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 2


(Homo sapiens (Human))
BDBM50555918
PNG
(CHEMBL503824)
Show SMILES CCCCCc1cc(O)cc(OC)c1
PDB
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n/an/a 1.59E+4n/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))
BDBM50169047
PNG
((S)-2-(4-Isobutyl-phenyl)-propionic acid | (S)-2-(...)
Show SMILES CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O |r|
Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m0/s1
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n/an/a 1.62E+4n/an/an/an/an/an/a


TBA

Assay Description
Competitive inhibition of ovine COX-1 assessed as reduction in PGE2 level using 250 nM arachidonic acid as substrate preincubated with enzyme for 5 m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112620
BindingDB Entry DOI: 10.7270/Q2736VK2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50555907
PNG
(CHEBI:66960 | While Olivetol)
Show SMILES CCCCCc1cc(O)cc(O)c1
PDB
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n/an/a 1.73E+4n/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
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