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PubMed code 2329571

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
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50015416
PNG
(4,6,7-Trimethyl-2-propyl-benzo[1,3]oxathiol-5-ol |...)
Show SMILES CCCC1Oc2c(S1)c(C)c(O)c(C)c2C
Show InChI InChI=1S/C13H18O2S/c1-5-6-10-15-12-8(3)7(2)11(14)9(4)13(12)16-10/h10,14H,5-6H2,1-4H3
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n/an/a 25n/an/an/an/an/an/a



Sankyo Company Ltd.

Curated by ChEMBL


Assay Description
Evaluated for inhibition of the formation and release of 5-lipoxygenase in isolated guinea pig ileum


J Med Chem 33: 1491-6 (1990)


Article DOI: 10.1021/jm00167a032
BindingDB Entry DOI: 10.7270/Q2NG4PM6
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50015415
PNG
(2-Butyl-4,6,7-trimethyl-benzo[1,3]oxathiol-5-ol | ...)
Show SMILES CCCCC1Oc2c(S1)c(C)c(O)c(C)c2C
Show InChI InChI=1S/C14H20O2S/c1-5-6-7-11-16-13-9(3)8(2)12(15)10(4)14(13)17-11/h11,15H,5-7H2,1-4H3
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n/an/a 59n/an/an/an/an/an/a



Sankyo Company Ltd.

Curated by ChEMBL


Assay Description
Evaluated for inhibition of the formation and release of 5-lipoxygenase in isolated guinea pig ileum


J Med Chem 33: 1491-6 (1990)


Article DOI: 10.1021/jm00167a032
BindingDB Entry DOI: 10.7270/Q2NG4PM6
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50015411
PNG
(2-Ethyl-4,6,7-trimethyl-benzo[1,3]oxathiol-5-ol | ...)
Show SMILES CCC1Oc2c(S1)c(C)c(O)c(C)c2C
Show InChI InChI=1S/C12H16O2S/c1-5-9-14-11-7(3)6(2)10(13)8(4)12(11)15-9/h9,13H,5H2,1-4H3
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n/an/a 63n/an/an/an/an/an/a



Sankyo Company Ltd.

Curated by ChEMBL


Assay Description
Evaluated for inhibition of the formation and release of 5-lipoxygenase in isolated guinea pig ileum


J Med Chem 33: 1491-6 (1990)


Article DOI: 10.1021/jm00167a032
BindingDB Entry DOI: 10.7270/Q2NG4PM6
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50015409
PNG
(4,6,7-Trimethyl-2-phenyl-benzo[1,3]oxathiol-5-ol |...)
Show SMILES Cc1c2OC(Sc2c(C)c(O)c1C)c1ccccc1
Show InChI InChI=1S/C16H16O2S/c1-9-10(2)14-15(11(3)13(9)17)19-16(18-14)12-7-5-4-6-8-12/h4-8,16-17H,1-3H3
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n/an/a 71n/an/an/an/an/an/a



Sankyo Company Ltd.

Curated by ChEMBL


Assay Description
Evaluated for inhibition of the formation and release of 5-lipoxygenase in isolated guinea pig ileum


J Med Chem 33: 1491-6 (1990)


Article DOI: 10.1021/jm00167a032
BindingDB Entry DOI: 10.7270/Q2NG4PM6
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50015404
PNG
(2-(3-Hydroxy-propyl)-4,6,7-trimethyl-benzo[1,3]oxa...)
Show SMILES Cc1c2OC(CCCO)Sc2c(C)c(O)c1C
Show InChI InChI=1S/C13H18O3S/c1-7-8(2)12-13(9(3)11(7)15)17-10(16-12)5-4-6-14/h10,14-15H,4-6H2,1-3H3
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n/an/a 90n/an/an/an/an/an/a



Sankyo Company Ltd.

Curated by ChEMBL


Assay Description
Evaluated for inhibition of the formation and release of 5-lipoxygenase in isolated guinea pig ileum


J Med Chem 33: 1491-6 (1990)


Article DOI: 10.1021/jm00167a032
BindingDB Entry DOI: 10.7270/Q2NG4PM6
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50015408
PNG
(2,4,6,7-Tetramethyl-benzo[1,3]oxathiol-5-ol | CHEM...)
Show SMILES CC1Oc2c(S1)c(C)c(O)c(C)c2C
Show InChI InChI=1S/C11H14O2S/c1-5-6(2)10-11(7(3)9(5)12)14-8(4)13-10/h8,12H,1-4H3
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n/an/a 130n/an/an/an/an/an/a



Sankyo Company Ltd.

Curated by ChEMBL


Assay Description
Evaluated for inhibition of the formation and release of 5-lipoxygenase in isolated guinea pig ileum


J Med Chem 33: 1491-6 (1990)


Article DOI: 10.1021/jm00167a032
BindingDB Entry DOI: 10.7270/Q2NG4PM6
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50015413
PNG
(2-Hexyl-4,6,7-trimethyl-benzo[1,3]oxathiol-5-ol | ...)
Show SMILES CCCCCCC1Oc2c(S1)c(C)c(O)c(C)c2C
Show InChI InChI=1S/C16H24O2S/c1-5-6-7-8-9-13-18-15-11(3)10(2)14(17)12(4)16(15)19-13/h13,17H,5-9H2,1-4H3
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n/an/a 170n/an/an/an/an/an/a



Sankyo Company Ltd.

Curated by ChEMBL


Assay Description
Evaluated for inhibition of the formation and release of 5-lipoxygenase in isolated guinea pig ileum


J Med Chem 33: 1491-6 (1990)


Article DOI: 10.1021/jm00167a032
BindingDB Entry DOI: 10.7270/Q2NG4PM6
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50015410
PNG
(2-Heptyl-4,6,7-trimethyl-benzo[1,3]oxathiol-5-ol |...)
Show SMILES CCCCCCCC1Oc2c(S1)c(C)c(O)c(C)c2C
Show InChI InChI=1S/C17H26O2S/c1-5-6-7-8-9-10-14-19-16-12(3)11(2)15(18)13(4)17(16)20-14/h14,18H,5-10H2,1-4H3
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n/an/a 220n/an/an/an/an/an/a



Sankyo Company Ltd.

Curated by ChEMBL


Assay Description
Evaluated for inhibition of the formation and release of 5-lipoxygenase in isolated guinea pig ileum


J Med Chem 33: 1491-6 (1990)


Article DOI: 10.1021/jm00167a032
BindingDB Entry DOI: 10.7270/Q2NG4PM6
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50015406
PNG
(4,6,7-Trimethyl-benzo[1,3]oxathiol-5-ol | CHEMBL27...)
Show SMILES Cc1c2OCSc2c(C)c(O)c1C
Show InChI InChI=1S/C10H12O2S/c1-5-6(2)9-10(13-4-12-9)7(3)8(5)11/h11H,4H2,1-3H3
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n/an/a 290n/an/an/an/an/an/a



Sankyo Company Ltd.

Curated by ChEMBL


Assay Description
Evaluated for inhibition of the formation and release of 5-lipoxygenase in isolated guinea pig ileum


J Med Chem 33: 1491-6 (1990)


Article DOI: 10.1021/jm00167a032
BindingDB Entry DOI: 10.7270/Q2NG4PM6
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50015407
PNG
(3-(5-Hydroxy-4,6,7-trimethyl-benzo[1,3]oxathiol-2-...)
Show SMILES Cc1c2OC(CCC(N)=O)Sc2c(C)c(O)c1C
Show InChI InChI=1S/C13H17NO3S/c1-6-7(2)12-13(8(3)11(6)16)18-10(17-12)5-4-9(14)15/h10,16H,4-5H2,1-3H3,(H2,14,15)
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n/an/a 520n/an/an/an/an/an/a



Sankyo Company Ltd.

Curated by ChEMBL


Assay Description
Evaluated for inhibition of the formation and release of 5-lipoxygenase in isolated guinea pig ileum


J Med Chem 33: 1491-6 (1990)


Article DOI: 10.1021/jm00167a032
BindingDB Entry DOI: 10.7270/Q2NG4PM6
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50008950
PNG
(3-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-dihydr...)
Show SMILES CC(C)(C)c1cc(\C=C2/CCOC2=O)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C19H26O3/c1-18(2,3)14-10-12(9-13-7-8-22-17(13)21)11-15(16(14)20)19(4,5)6/h9-11,20H,7-8H2,1-6H3/b13-9+
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n/an/a 690n/an/an/an/an/an/a



Sankyo Company Ltd.

Curated by ChEMBL


Assay Description
Evaluated for inhibition of the formation and release of 5-lipoxygenase in isolated guinea pig ileum


J Med Chem 33: 1491-6 (1990)


Article DOI: 10.1021/jm00167a032
BindingDB Entry DOI: 10.7270/Q2NG4PM6
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50000540
PNG
(1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazo...)
Show SMILES NC1=NN(CC1)c1cccc(c1)C(F)(F)F
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 750n/an/an/an/an/an/a



Sankyo Company Ltd.

Curated by ChEMBL


Assay Description
Evaluated for inhibition of the formation and release of 5-lipoxygenase in isolated guinea pig ileum


J Med Chem 33: 1491-6 (1990)


Article DOI: 10.1021/jm00167a032
BindingDB Entry DOI: 10.7270/Q2NG4PM6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%