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PubMed code 2319562

Compile data set for download or QSAR
Found 12 hits of Enzyme Inhibition Constant Data   
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


(Rattus norvegicus)
BDBM50015205
PNG
(4-Pentadeca-1,3,6,9-tetraenylsulfanyl-butyric acid...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C=C/SCCCC(=O)OC
Show InChI InChI=1S/C20H32O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-19-16-17-20(21)22-2/h7-8,10-11,13-15,18H,3-6,9,12,16-17,19H2,1-2H3/b8-7-,11-10-,14-13-,18-15+
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n/an/a 1.80E+3n/an/an/an/an/an/a



Molecular Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in rat RBL-1 cells


J Med Chem 33: 1163-70 (1990)


BindingDB Entry DOI: 10.7270/Q2S75F9G
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50000540
PNG
(1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazo...)
Show SMILES NC1=NN(CC1)c1cccc(c1)C(F)(F)F |t:1|
Show InChI InChI=1S/C10H10F3N3/c11-10(12,13)7-2-1-3-8(6-7)16-5-4-9(14)15-16/h1-3,6H,4-5H2,(H2,14,15)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Molecular Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in rat RBL-1 cells


J Med Chem 33: 1163-70 (1990)


BindingDB Entry DOI: 10.7270/Q2S75F9G
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50015209
PNG
(2-Pentadeca-1,3,6-trienylsulfanyl-benzoic acid met...)
Show SMILES CCCCCCCC\C=C/C\C=C/C=C/Sc1ccccc1C(=O)OC
Show InChI InChI=1S/C23H32O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-20-26-22-19-16-15-18-21(22)23(24)25-2/h10-11,13-20H,3-9,12H2,1-2H3/b11-10-,14-13-,20-17+
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n/an/a 2.70E+3n/an/an/an/an/an/a



Molecular Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in rat RBL-1 cells


J Med Chem 33: 1163-70 (1990)


BindingDB Entry DOI: 10.7270/Q2S75F9G
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50015206
PNG
(4-Pentadeca-1,3-dien-6-ynylsulfanyl-butyric acid m...)
Show SMILES CCCCCCCCC#CC\C=C/C=C/SCCCC(=O)OC
Show InChI InChI=1S/C20H32O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-19-16-17-20(21)22-2/h13-15,18H,3-9,12,16-17,19H2,1-2H3/b14-13-,18-15+
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n/an/a 5.20E+3n/an/an/an/an/an/a



Molecular Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in rat RBL-1 cells


J Med Chem 33: 1163-70 (1990)


BindingDB Entry DOI: 10.7270/Q2S75F9G
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50015203
PNG
(4-Pentadeca-1,3,6-trienylsulfanyl-butyric acid met...)
Show SMILES CCCCCCCC\C=C/C\C=C/C=C/SCCCC(=O)OC
Show InChI InChI=1S/C20H34O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-19-16-17-20(21)22-2/h10-11,13-15,18H,3-9,12,16-17,19H2,1-2H3/b11-10-,14-13-,18-15+
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n/an/a 6.00E+3n/an/an/an/an/an/a



Molecular Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase expressed from human polymorphonuclear cells


J Med Chem 33: 1163-70 (1990)


BindingDB Entry DOI: 10.7270/Q2S75F9G
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50008999
PNG
(5-Methyl-2-[2-(naphthalen-2-yloxy)-ethyl]-2,4-dihy...)
Show SMILES Cc1cc(=O)n(CCOc2ccc3ccccc3c2)[nH]1
Show InChI InChI=1S/C16H16N2O2/c1-12-10-16(19)18(17-12)8-9-20-15-7-6-13-4-2-3-5-14(13)11-15/h2-7,10-11,17H,8-9H2,1H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



Molecular Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in rat RBL-1 cells


J Med Chem 33: 1163-70 (1990)


BindingDB Entry DOI: 10.7270/Q2S75F9G
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50015203
PNG
(4-Pentadeca-1,3,6-trienylsulfanyl-butyric acid met...)
Show SMILES CCCCCCCC\C=C/C\C=C/C=C/SCCCC(=O)OC
Show InChI InChI=1S/C20H34O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-19-16-17-20(21)22-2/h10-11,13-15,18H,3-9,12,16-17,19H2,1-2H3/b11-10-,14-13-,18-15+
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n/an/a 6.20E+3n/an/an/an/an/an/a



Molecular Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in rat RBL-1 cells


J Med Chem 33: 1163-70 (1990)


BindingDB Entry DOI: 10.7270/Q2S75F9G
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50015204
PNG
(4-Pentadeca-1,3,6-trienylsulfanyl-butyric acid | C...)
Show SMILES CCCCCCCC\C=C/C\C=C/C=C/SCCCC(O)=O
Show InChI InChI=1S/C19H32O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-18-15-16-19(20)21/h9-10,12-14,17H,2-8,11,15-16,18H2,1H3,(H,20,21)/b10-9-,13-12-,17-14+
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n/an/a 7.20E+3n/an/an/an/an/an/a



Molecular Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in rat RBL-1 cells


J Med Chem 33: 1163-70 (1990)


BindingDB Entry DOI: 10.7270/Q2S75F9G
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50015210
PNG
(3-Pentadeca-1,3,6-trienylsulfanyl-benzoic acid met...)
Show SMILES CCCCCCCC\C=C/C\C=C/C=C/Sc1cccc(c1)C(=O)OC
Show InChI InChI=1S/C23H32O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-26-22-18-16-17-21(20-22)23(24)25-2/h10-11,13-20H,3-9,12H2,1-2H3/b11-10-,14-13-,19-15+
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n/an/a 7.40E+3n/an/an/an/an/an/a



Molecular Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in rat RBL-1 cells


J Med Chem 33: 1163-70 (1990)


BindingDB Entry DOI: 10.7270/Q2S75F9G
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50015207
PNG
(3-Pentadeca-1,3-dien-6-ynylsulfanyl-benzoic acid m...)
Show SMILES CCCCCCCCC#CC\C=C/C=C/Sc1cccc(c1)C(=O)OC
Show InChI InChI=1S/C23H30O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-26-22-18-16-17-21(20-22)23(24)25-2/h13-20H,3-9,12H2,1-2H3/b14-13-,19-15+
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n/an/a 9.00E+3n/an/an/an/an/an/a



Molecular Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in rat RBL-1 cells


J Med Chem 33: 1163-70 (1990)


BindingDB Entry DOI: 10.7270/Q2S75F9G
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50015208
PNG
(4-Pentadeca-1,3,6-trienylsulfanyl-benzoic acid met...)
Show SMILES CCCCCCCC\C=C/C\C=C/C=C/Sc1ccc(cc1)C(=O)OC
Show InChI InChI=1S/C23H32O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-26-22-18-16-21(17-19-22)23(24)25-2/h10-11,13-20H,3-9,12H2,1-2H3/b11-10-,14-13-,20-15+
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n/an/a 1.12E+4n/an/an/an/an/an/a



Molecular Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in rat RBL-1 cells


J Med Chem 33: 1163-70 (1990)


BindingDB Entry DOI: 10.7270/Q2S75F9G
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50015202
PNG
(4-Pentadeca-1,3-dienylsulfanyl-butyric acid methyl...)
Show SMILES CCCCCCCCCCC\C=C/C=C/SCCCC(=O)OC
Show InChI InChI=1S/C20H36O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-19-16-17-20(21)22-2/h13-15,18H,3-12,16-17,19H2,1-2H3/b14-13-,18-15+
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n/an/a 2.20E+4n/an/an/an/an/an/a



Molecular Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in rat RBL-1 cells


J Med Chem 33: 1163-70 (1990)


BindingDB Entry DOI: 10.7270/Q2S75F9G
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%