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Compile Data Set for Download or QSAR

Found 73 hits from Centre de Recherches de Vitry   
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


(Rattus norvegicus)
BDBM32020
PNG
(4-[4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]pyro...)
Show SMILES CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1
Show InChI InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3
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n/an/a 300n/an/an/an/an/an/a



Centre de Recherches de Vitry

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase in rat (peritoneal assay)


J Med Chem 33: 2744-9 (1990)


Article DOI: 10.1021/jm00172a010
BindingDB Entry DOI: 10.7270/Q2MK6BVP
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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n/an/a 400n/an/an/an/an/an/a



Centre de Recherches de Vitry

Curated by ChEMBL


Assay Description
Iin vitro inhibition of 5-lipoxygenase activity in rat basophil leukemia type 1(RBL1) cell homogenates, (reduction of [14C]-5-HETE formation)


J Med Chem 33: 2744-9 (1990)


Article DOI: 10.1021/jm00172a010
BindingDB Entry DOI: 10.7270/Q2MK6BVP
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM32020
PNG
(4-[4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]pyro...)
Show SMILES CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1
Show InChI InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3
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Centre de Recherches de Vitry

Curated by ChEMBL


Assay Description
Iin vitro inhibition of 5-lipoxygenase activity in rat basophil leukemia type 1(RBL1) cell homogenates, (reduction of [14C]-5-HETE formation)


J Med Chem 33: 2744-9 (1990)


Article DOI: 10.1021/jm00172a010
BindingDB Entry DOI: 10.7270/Q2MK6BVP
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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Centre de Recherches de Vitry

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase in rat (peritoneal assay)


J Med Chem 33: 2744-9 (1990)


Article DOI: 10.1021/jm00172a010
BindingDB Entry DOI: 10.7270/Q2MK6BVP
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
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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Centre de Recherches de Vitry

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase in rat (peritoneal assay)


J Med Chem 33: 2744-9 (1990)


Article DOI: 10.1021/jm00172a010
BindingDB Entry DOI: 10.7270/Q2MK6BVP
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50014206
PNG
(5-Hydroxy-5-phenyl-2-phenylsulfanyl-penta-2,4-dien...)
Show SMILES CCOC(=O)C(Sc1ccccc1)=CCC(=O)c1ccccc1
Show InChI InChI=1S/C19H18O3S/c1-2-22-19(21)18(23-16-11-7-4-8-12-16)14-13-17(20)15-9-5-3-6-10-15/h3-12,14H,2,13H2,1H3
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Centre de Recherches de Vitry

Curated by ChEMBL


Assay Description
Iin vitro inhibition of 5-lipoxygenase activity in rat basophil leukemia type 1(RBL1) cell homogenates, (reduction of [14C]-5-HETE formation)


J Med Chem 33: 2744-9 (1990)


Article DOI: 10.1021/jm00172a010
BindingDB Entry DOI: 10.7270/Q2MK6BVP
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50014196
PNG
(2-Hydroxy-5-phenyl-hexa-2,4-dienedioic acid diethy...)
Show SMILES CCOC(=O)C(=O)CC=C(C(=O)OCC)c1ccccc1
Show InChI InChI=1S/C16H18O5/c1-3-20-15(18)13(12-8-6-5-7-9-12)10-11-14(17)16(19)21-4-2/h5-10H,3-4,11H2,1-2H3
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Centre de Recherches de Vitry

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against 5-Lipoxygenase in rat by Peritoneal 5-lipoxygenase assay


J Med Chem 33: 2744-9 (1990)


Article DOI: 10.1021/jm00172a010
BindingDB Entry DOI: 10.7270/Q2MK6BVP
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50014191
PNG
(2-Benzylsulfanyl-5-hydroxy-hexa-2,4-dienedioic aci...)
Show SMILES CCOC(=O)C(=O)CC=C(SCc1ccccc1)C(=O)OCC
Show InChI InChI=1S/C17H20O5S/c1-3-21-16(19)14(18)10-11-15(17(20)22-4-2)23-12-13-8-6-5-7-9-13/h5-9,11H,3-4,10,12H2,1-2H3
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Centre de Recherches de Vitry

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against 5-Lipoxygenase in rat by Peritoneal 5-lipoxygenase assay


J Med Chem 33: 2744-9 (1990)


Article DOI: 10.1021/jm00172a010
BindingDB Entry DOI: 10.7270/Q2MK6BVP
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50014204
PNG
(5-Hydroxy-2-phenylsulfanyl-penta-2,4-dienoic acid ...)
Show SMILES CCOC(=O)C(Sc1ccccc1)=CCC=O
Show InChI InChI=1S/C13H14O3S/c1-2-16-13(15)12(9-6-10-14)17-11-7-4-3-5-8-11/h3-5,7-10H,2,6H2,1H3
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Centre de Recherches de Vitry

Curated by ChEMBL


Assay Description
Iin vitro inhibition of 5-lipoxygenase activity in rat basophil leukemia type 1(RBL1) cell homogenates, (reduction of [14C]-5-HETE formation)


J Med Chem 33: 2744-9 (1990)


Article DOI: 10.1021/jm00172a010
BindingDB Entry DOI: 10.7270/Q2MK6BVP
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50014200
PNG
(3-Oxo-3-phenyl-2-phenylsulfanyl-propionic acid eth...)
Show SMILES CCOC(=O)C(Sc1ccccc1)C(=O)c1ccccc1
Show InChI InChI=1S/C17H16O3S/c1-2-20-17(19)16(21-14-11-7-4-8-12-14)15(18)13-9-5-3-6-10-13/h3-12,16H,2H2,1H3
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Centre de Recherches de Vitry

Curated by ChEMBL


Assay Description
Iin vitro inhibition of 5-lipoxygenase activity in rat basophil leukemia type 1(RBL1) cell homogenates, (reduction of [14C]-5-HETE formation)


J Med Chem 33: 2744-9 (1990)


Article DOI: 10.1021/jm00172a010
BindingDB Entry DOI: 10.7270/Q2MK6BVP
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50014206
PNG
(5-Hydroxy-5-phenyl-2-phenylsulfanyl-penta-2,4-dien...)
Show SMILES CCOC(=O)C(Sc1ccccc1)=CCC(=O)c1ccccc1
Show InChI InChI=1S/C19H18O3S/c1-2-22-19(21)18(23-16-11-7-4-8-12-16)14-13-17(20)15-9-5-3-6-10-15/h3-12,14H,2,13H2,1H3
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Centre de Recherches de Vitry

Curated by ChEMBL


Assay Description
Iin vitro inhibition of 5-lipoxygenase activity in rat basophil leukemia type 1(RBL1) cell homogenates, (reduction of [14C]-5-HETE formation)


J Med Chem 33: 2744-9 (1990)


Article DOI: 10.1021/jm00172a010
BindingDB Entry DOI: 10.7270/Q2MK6BVP
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50014204
PNG
(5-Hydroxy-2-phenylsulfanyl-penta-2,4-dienoic acid ...)
Show SMILES CCOC(=O)C(Sc1ccccc1)=CCC=O
Show InChI InChI=1S/C13H14O3S/c1-2-16-13(15)12(9-6-10-14)17-11-7-4-3-5-8-11/h3-5,7-10H,2,6H2,1H3
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Centre de Recherches de Vitry

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase in rat (peritoneal assay)


J Med Chem 33: 2744-9 (1990)


Article DOI: 10.1021/jm00172a010
BindingDB Entry DOI: 10.7270/Q2MK6BVP
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50014196
PNG
(2-Hydroxy-5-phenyl-hexa-2,4-dienedioic acid diethy...)
Show SMILES CCOC(=O)C(=O)CC=C(C(=O)OCC)c1ccccc1
Show InChI InChI=1S/C16H18O5/c1-3-20-15(18)13(12-8-6-5-7-9-12)10-11-14(17)16(19)21-4-2/h5-10H,3-4,11H2,1-2H3
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Centre de Recherches de Vitry

Curated by ChEMBL


Assay Description
Iin vitro inhibition of 5-lipoxygenase activity in rat basophil leukemia type 1(RBL1) cell homogenates, (reduction of [14C]-5-HETE formation)


J Med Chem 33: 2744-9 (1990)


Article DOI: 10.1021/jm00172a010
BindingDB Entry DOI: 10.7270/Q2MK6BVP
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50014209
PNG
(2-Ethylsulfanyl-5-hydroxy-hexa-2,4-dienedioic acid...)
Show SMILES CCOC(=O)C(SCC)C=CC(=O)C(=O)OCC
Show InChI InChI=1S/C12H18O5S/c1-4-16-11(14)9(13)7-8-10(18-6-3)12(15)17-5-2/h7-8,10H,4-6H2,1-3H3
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Centre de Recherches de Vitry

Curated by ChEMBL


Assay Description
Iin vitro inhibition of 5-lipoxygenase activity in rat basophil leukemia type 1(RBL1) cell homogenates, (reduction of [14C]-5-HETE formation)


J Med Chem 33: 2744-9 (1990)


Article DOI: 10.1021/jm00172a010
BindingDB Entry DOI: 10.7270/Q2MK6BVP
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50014209
PNG
(2-Ethylsulfanyl-5-hydroxy-hexa-2,4-dienedioic acid...)
Show SMILES CCOC(=O)C(SCC)C=CC(=O)C(=O)OCC
Show InChI InChI=1S/C12H18O5S/c1-4-16-11(14)9(13)7-8-10(18-6-3)12(15)17-5-2/h7-8,10H,4-6H2,1-3H3
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Centre de Recherches de Vitry

Curated by ChEMBL


Assay Description
Iin vitro inhibition of 5-lipoxygenase activity in rat basophil leukemia type 1(RBL1) cell homogenates, (reduction of [14C]-5-HETE formation)


J Med Chem 33: 2744-9 (1990)


Article DOI: 10.1021/jm00172a010
BindingDB Entry DOI: 10.7270/Q2MK6BVP
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50014200
PNG
(3-Oxo-3-phenyl-2-phenylsulfanyl-propionic acid eth...)
Show SMILES CCOC(=O)C(Sc1ccccc1)C(=O)c1ccccc1
Show InChI InChI=1S/C17H16O3S/c1-2-20-17(19)16(21-14-11-7-4-8-12-14)15(18)13-9-5-3-6-10-13/h3-12,16H,2H2,1H3
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Centre de Recherches de Vitry

Curated by ChEMBL


Assay Description
Iin vitro inhibition of 5-lipoxygenase activity in rat basophil leukemia type 1(RBL1) cell homogenates, (reduction of [14C]-5-HETE formation)


J Med Chem 33: 2744-9 (1990)


Article DOI: 10.1021/jm00172a010
BindingDB Entry DOI: 10.7270/Q2MK6BVP
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50014208
PNG
(5-Hydroxy-6-oxo-6-phenyl-2-phenylsulfanyl-hexa-2,4...)
Show SMILES CCOC(=O)C(Sc1ccccc1)=CCC(=O)C(=O)c1ccccc1
Show InChI InChI=1S/C20H18O4S/c1-2-24-20(23)18(25-16-11-7-4-8-12-16)14-13-17(21)19(22)15-9-5-3-6-10-15/h3-12,14H,2,13H2,1H3
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Centre de Recherches de Vitry

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase in rat (peritoneal assay)


J Med Chem 33: 2744-9 (1990)


Article DOI: 10.1021/jm00172a010
BindingDB Entry DOI: 10.7270/Q2MK6BVP
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50014205
PNG
(2-Hydroxy-5-methylsulfanyl-6-oxo-6-phenyl-hexa-2,4...)
Show SMILES CCOC(=O)C(=O)CC=C(SC)C(=O)c1ccccc1
Show InChI InChI=1S/C15H16O4S/c1-3-19-15(18)12(16)9-10-13(20-2)14(17)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
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Centre de Recherches de Vitry

Curated by ChEMBL


Assay Description
Iin vitro inhibition of 5-lipoxygenase activity in rat basophil leukemia type 1(RBL1) cell homogenates, (reduction of [14C]-5-HETE formation)


J Med Chem 33: 2744-9 (1990)


Article DOI: 10.1021/jm00172a010
BindingDB Entry DOI: 10.7270/Q2MK6BVP
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50014194
PNG
(2-Hydroxy-5-phenylsulfanyl-hexa-2,4-dienedioic aci...)
Show SMILES CCOC(=O)C(=O)CC=C(Sc1ccccc1)C(=O)OCC
Show InChI InChI=1S/C16H18O5S/c1-3-20-15(18)13(17)10-11-14(16(19)21-4-2)22-12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3
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Centre de Recherches de Vitry

Curated by ChEMBL


Assay Description
Iin vitro inhibition of 5-lipoxygenase activity in rat basophil leukemia type 1(RBL1) cell homogenates, (reduction of [14C]-5-HETE formation)


J Med Chem 33: 2744-9 (1990)


Article DOI: 10.1021/jm00172a010
BindingDB Entry DOI: 10.7270/Q2MK6BVP
More data for this
Ligand-Target Pair
Arachidonate 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
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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Centre de Recherches de Vitry

Curated by ChEMBL


Assay Description
Iin vitro inhibition of 5-lipoxygenase activity in rat basophil leukemia type 1(RBL1) cell homogenates, (reduction of [14C]-5-HETE formation)


J Med Chem 33: 2744-9 (1990)


Article DOI: 10.1021/jm00172a010
BindingDB Entry DOI: 10.7270/Q2MK6BVP
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50014194
PNG
(2-Hydroxy-5-phenylsulfanyl-hexa-2,4-dienedioic aci...)
Show SMILES CCOC(=O)C(=O)CC=C(Sc1ccccc1)C(=O)OCC
Show InChI InChI=1S/C16H18O5S/c1-3-20-15(18)13(17)10-11-14(16(19)21-4-2)22-12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3
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Centre de Recherches de Vitry

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against 5-Lipoxygenase in rat by Peritoneal 5-lipoxygenase assay


J Med Chem 33: 2744-9 (1990)


Article DOI: 10.1021/jm00172a010
BindingDB Entry DOI: 10.7270/Q2MK6BVP
More data for this
Ligand-Target Pair
Arachidonate 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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Centre de Recherches de Vitry

Curated by ChEMBL


Assay Description
Iin vitro inhibition of 5-lipoxygenase activity in rat basophil leukemia type 1(RBL1) cell homogenates, (reduction of [14C]-5-HETE formation)


J Med Chem 33: 2744-9 (1990)


Article DOI: 10.1021/jm00172a010
BindingDB Entry DOI: 10.7270/Q2MK6BVP
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50014205
PNG
(2-Hydroxy-5-methylsulfanyl-6-oxo-6-phenyl-hexa-2,4...)
Show SMILES CCOC(=O)C(=O)CC=C(SC)C(=O)c1ccccc1
Show InChI InChI=1S/C15H16O4S/c1-3-19-15(18)12(16)9-10-13(20-2)14(17)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
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Centre de Recherches de Vitry

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against 5-Lipoxygenase in rat by Peritoneal 5-lipoxygenase assay


J Med Chem 33: 2744-9 (1990)


Article DOI: 10.1021/jm00172a010
BindingDB Entry DOI: 10.7270/Q2MK6BVP
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50014208
PNG
(5-Hydroxy-6-oxo-6-phenyl-2-phenylsulfanyl-hexa-2,4...)
Show SMILES CCOC(=O)C(Sc1ccccc1)=CCC(=O)C(=O)c1ccccc1
Show InChI InChI=1S/C20H18O4S/c1-2-24-20(23)18(25-16-11-7-4-8-12-16)14-13-17(21)19(22)15-9-5-3-6-10-15/h3-12,14H,2,13H2,1H3
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Centre de Recherches de Vitry

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase in rat (peritoneal assay)


J Med Chem 33: 2744-9 (1990)


Article DOI: 10.1021/jm00172a010
BindingDB Entry DOI: 10.7270/Q2MK6BVP
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50014191
PNG
(2-Benzylsulfanyl-5-hydroxy-hexa-2,4-dienedioic aci...)
Show SMILES CCOC(=O)C(=O)CC=C(SCc1ccccc1)C(=O)OCC
Show InChI InChI=1S/C17H20O5S/c1-3-21-16(19)14(18)10-11-15(17(20)22-4-2)23-12-13-8-6-5-7-9-13/h5-9,11H,3-4,10,12H2,1-2H3
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Centre de Recherches de Vitry

Curated by ChEMBL


Assay Description
Iin vitro inhibition of 5-lipoxygenase activity in rat basophil leukemia type 1(RBL1) cell homogenates, (reduction of [14C]-5-HETE formation)


J Med Chem 33: 2744-9 (1990)


Article DOI: 10.1021/jm00172a010
BindingDB Entry DOI: 10.7270/Q2MK6BVP
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
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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Centre de Recherches de Vitry

Curated by ChEMBL


Assay Description
Iin vitro inhibition of 5-lipoxygenase activity in rat basophil leukemia type 1(RBL1) cell homogenates, (reduction of [14C]-5-HETE formation)


J Med Chem 33: 2744-9 (1990)


Article DOI: 10.1021/jm00172a010
BindingDB Entry DOI: 10.7270/Q2MK6BVP
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
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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Centre de Recherches de Vitry

Curated by ChEMBL


Assay Description
Iin vitro inhibition of 5-lipoxygenase activity in rat basophil leukemia type 1(RBL1) cell homogenates, (reduction of [14C]-5-HETE formation)


J Med Chem 33: 2744-9 (1990)


Article DOI: 10.1021/jm00172a010
BindingDB Entry DOI: 10.7270/Q2MK6BVP
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50014197
PNG
(2-Hydroxy-5-phenylsulfanyl-hexa-2,4-dienedioic aci...)
Show SMILES CCOC(=O)C(Sc1ccccc1)=CCC(=O)C(O)=O
Show InChI InChI=1S/C14H14O5S/c1-2-19-14(18)12(9-8-11(15)13(16)17)20-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,16,17)
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Centre de Recherches de Vitry

Curated by ChEMBL


Assay Description
Iin vitro inhibition of 5-lipoxygenase activity in rat basophil leukemia type 1(RBL1) cell homogenates, (reduction of [14C]-5-HETE formation)


J Med Chem 33: 2744-9 (1990)


Article DOI: 10.1021/jm00172a010
BindingDB Entry DOI: 10.7270/Q2MK6BVP
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50014202
PNG
(2-Hydroxy-6-oxo-6-phenyl-5-phenylsulfanyl-hexa-2,4...)
Show SMILES CCOC(=O)C(=O)CC=C(Sc1ccccc1)C(=O)c1ccccc1
Show InChI InChI=1S/C20H18O4S/c1-2-24-20(23)17(21)13-14-18(25-16-11-7-4-8-12-16)19(22)15-9-5-3-6-10-15/h3-12,14H,2,13H2,1H3
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Centre de Recherches de Vitry

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against 5-Lipoxygenase in rat by Peritoneal 5-lipoxygenase assay


J Med Chem 33: 2744-9 (1990)


Article DOI: 10.1021/jm00172a010
BindingDB Entry DOI: 10.7270/Q2MK6BVP
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50014207
PNG
(5-Dimethylcarbamoyl-5-hydroxy-2-phenylsulfanyl-pen...)
Show SMILES CCOC(=O)C(Sc1ccccc1)=CCC(=O)C(=O)N(C)C
Show InChI InChI=1S/C16H19NO4S/c1-4-21-16(20)14(22-12-8-6-5-7-9-12)11-10-13(18)15(19)17(2)3/h5-9,11H,4,10H2,1-3H3
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Centre de Recherches de Vitry

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against 5-Lipoxygenase in rat by Peritoneal 5-lipoxygenase assay


J Med Chem 33: 2744-9 (1990)


Article DOI: 10.1021/jm00172a010
BindingDB Entry DOI: 10.7270/Q2MK6BVP
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
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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Centre de Recherches de Vitry

Curated by ChEMBL


Assay Description
In vitro for prostaglandin G/H synthase inhibitory activity against rat basophil leukemia type 1 cell homogenates, by measuring the radioactivity of ...


J Med Chem 33: 2744-9 (1990)


Article DOI: 10.1021/jm00172a010
BindingDB Entry DOI: 10.7270/Q2MK6BVP
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50014197
PNG
(2-Hydroxy-5-phenylsulfanyl-hexa-2,4-dienedioic aci...)
Show SMILES CCOC(=O)C(Sc1ccccc1)=CCC(=O)C(O)=O
Show InChI InChI=1S/C14H14O5S/c1-2-19-14(18)12(9-8-11(15)13(16)17)20-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,16,17)
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Centre de Recherches de Vitry

Curated by ChEMBL


Assay Description
Iin vitro inhibition of 5-lipoxygenase activity in rat basophil leukemia type 1(RBL1) cell homogenates, (reduction of [14C]-5-HETE formation)


J Med Chem 33: 2744-9 (1990)


Article DOI: 10.1021/jm00172a010
BindingDB Entry DOI: 10.7270/Q2MK6BVP
More data for this
Ligand-Target Pair
Arachidonate 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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Centre de Recherches de Vitry

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase in rat (peritoneal assay)


J Med Chem 33: 2744-9 (1990)


Article DOI: 10.1021/jm00172a010
BindingDB Entry DOI: 10.7270/Q2MK6BVP
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50014208
PNG
(5-Hydroxy-6-oxo-6-phenyl-2-phenylsulfanyl-hexa-2,4...)
Show SMILES CCOC(=O)C(Sc1ccccc1)=CCC(=O)C(=O)c1ccccc1
Show InChI InChI=1S/C20H18O4S/c1-2-24-20(23)18(25-16-11-7-4-8-12-16)14-13-17(21)19(22)15-9-5-3-6-10-15/h3-12,14H,2,13H2,1H3
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Centre de Recherches de Vitry

Curated by ChEMBL


Assay Description
In vitro for prostaglandin G/H synthase inhibitory activity against rat basophil leukemia type 1 cell homogenates, by measuring the radioactivity of ...


J Med Chem 33: 2744-9 (1990)


Article DOI: 10.1021/jm00172a010
BindingDB Entry DOI: 10.7270/Q2MK6BVP
More data for this
Ligand-Target Pair
Arachidonate 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
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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Centre de Recherches de Vitry

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase in rat (peritoneal assay)


J Med Chem 33: 2744-9 (1990)


Article DOI: 10.1021/jm00172a010
BindingDB Entry DOI: 10.7270/Q2MK6BVP
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50014200
PNG
(3-Oxo-3-phenyl-2-phenylsulfanyl-propionic acid eth...)
Show SMILES CCOC(=O)C(Sc1ccccc1)C(=O)c1ccccc1
Show InChI InChI=1S/C17H16O3S/c1-2-20-17(19)16(21-14-11-7-4-8-12-14)15(18)13-9-5-3-6-10-13/h3-12,16H,2H2,1H3
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Centre de Recherches de Vitry

Curated by ChEMBL


Assay Description
In vitro for prostaglandin G/H synthase inhibitory activity against rat basophil leukemia type 1 cell homogenates, by measuring the radioactivity of ...


J Med Chem 33: 2744-9 (1990)


Article DOI: 10.1021/jm00172a010
BindingDB Entry DOI: 10.7270/Q2MK6BVP
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50014197
PNG
(2-Hydroxy-5-phenylsulfanyl-hexa-2,4-dienedioic aci...)
Show SMILES CCOC(=O)C(Sc1ccccc1)=CCC(=O)C(O)=O
Show InChI InChI=1S/C14H14O5S/c1-2-19-14(18)12(9-8-11(15)13(16)17)20-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,16,17)
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Centre de Recherches de Vitry

Curated by ChEMBL


Assay Description
Iin vitro inhibition of 5-lipoxygenase activity in rat basophil leukemia type 1(RBL1) cell homogenates, (reduction of [14C]-5-HETE formation)


J Med Chem 33: 2744-9 (1990)


Article DOI: 10.1021/jm00172a010
BindingDB Entry DOI: 10.7270/Q2MK6BVP
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50014206
PNG
(5-Hydroxy-5-phenyl-2-phenylsulfanyl-penta-2,4-dien...)
Show SMILES CCOC(=O)C(Sc1ccccc1)=CCC(=O)c1ccccc1
Show InChI InChI=1S/C19H18O3S/c1-2-22-19(21)18(23-16-11-7-4-8-12-16)14-13-17(20)15-9-5-3-6-10-15/h3-12,14H,2,13H2,1H3
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Centre de Recherches de Vitry

Curated by ChEMBL


Assay Description
In vitro for prostaglandin G/H synthase inhibitory activity against rat basophil leukemia type 1 cell homogenates, by measuring the radioactivity of ...


J Med Chem 33: 2744-9 (1990)


Article DOI: 10.1021/jm00172a010
BindingDB Entry DOI: 10.7270/Q2MK6BVP
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50014198
PNG
(2-Hydroxy-5-phenyl-penta-2,4-dienoic acid | CHEMBL...)
Show SMILES OC(=O)C(=O)CC=Cc1ccccc1
Show InChI InChI=1S/C11H10O3/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-7H,8H2,(H,13,14)
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Centre de Recherches de Vitry

Curated by ChEMBL


Assay Description
Iin vitro inhibition of 5-lipoxygenase activity in rat basophil leukemia type 1(RBL1) cell homogenates, (reduction of [14C]-5-HETE formation)


J Med Chem 33: 2744-9 (1990)


Article DOI: 10.1021/jm00172a010
BindingDB Entry DOI: 10.7270/Q2MK6BVP
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50014199
PNG
(6-Oxo-5-phenylsulfanyl-6H-pyran-2-carboxylic acid ...)
Show SMILES CCOC(=O)c1ccc(Sc2ccccc2)c(=O)o1
Show InChI InChI=1S/C14H12O4S/c1-2-17-13(15)11-8-9-12(14(16)18-11)19-10-6-4-3-5-7-10/h3-9H,2H2,1H3
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Centre de Recherches de Vitry

Curated by ChEMBL


Assay Description
Iin vitro inhibition of 5-lipoxygenase activity in rat basophil leukemia type 1(RBL1) cell homogenates, (reduction of [14C]-5-HETE formation)


J Med Chem 33: 2744-9 (1990)


Article DOI: 10.1021/jm00172a010
BindingDB Entry DOI: 10.7270/Q2MK6BVP
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50014203
PNG
(2,5-Dihydroxy-hexa-2,4-dienedioic acid diethyl est...)
Show SMILES CCOC(=O)C(=O)CCC(=O)C(=O)OCC
Show InChI InChI=1S/C10H14O6/c1-3-15-9(13)7(11)5-6-8(12)10(14)16-4-2/h3-6H2,1-2H3
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Centre de Recherches de Vitry

Curated by ChEMBL


Assay Description
Iin vitro inhibition of 5-lipoxygenase activity in rat basophil leukemia type 1(RBL1) cell homogenates, (reduction of [14C]-5-HETE formation)


J Med Chem 33: 2744-9 (1990)


Article DOI: 10.1021/jm00172a010
BindingDB Entry DOI: 10.7270/Q2MK6BVP
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50014201
PNG
(2-Dimethylamino-5-methylsulfanyl-6-oxo-6-phenyl-he...)
Show SMILES CCOC(=O)C(=CC=C(SC)C(=O)c1ccccc1)N(C)C
Show InChI InChI=1S/C17H21NO3S/c1-5-21-17(20)14(18(2)3)11-12-15(22-4)16(19)13-9-7-6-8-10-13/h6-12H,5H2,1-4H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Centre de Recherches de Vitry

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against 5-Lipoxygenase in rat by Peritoneal 5-lipoxygenase assay


J Med Chem 33: 2744-9 (1990)


Article DOI: 10.1021/jm00172a010
BindingDB Entry DOI: 10.7270/Q2MK6BVP
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50014190
PNG
(2-Dimethylamino-5-phenylsulfanyl-hexa-2,4-dienedio...)
Show SMILES CCOC(=O)C(Sc1ccccc1)=CC=C(N(C)C)C(=O)OCC
Show InChI InChI=1S/C18H23NO4S/c1-5-22-17(20)15(19(3)4)12-13-16(18(21)23-6-2)24-14-10-8-7-9-11-14/h7-13H,5-6H2,1-4H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Centre de Recherches de Vitry

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase in rat (peritoneal assay)


J Med Chem 33: 2744-9 (1990)


Article DOI: 10.1021/jm00172a010
BindingDB Entry DOI: 10.7270/Q2MK6BVP
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50014195
PNG
(2-Hydroxy-hexa-2,4-dienedioic acid diethyl ester |...)
Show SMILES CCOC(=O)CC=CC(=O)C(=O)OCC
Show InChI InChI=1S/C10H14O5/c1-3-14-9(12)7-5-6-8(11)10(13)15-4-2/h5-6H,3-4,7H2,1-2H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Centre de Recherches de Vitry

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase in rat (peritoneal assay)


J Med Chem 33: 2744-9 (1990)


Article DOI: 10.1021/jm00172a010
BindingDB Entry DOI: 10.7270/Q2MK6BVP
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50014199
PNG
(6-Oxo-5-phenylsulfanyl-6H-pyran-2-carboxylic acid ...)
Show SMILES CCOC(=O)c1ccc(Sc2ccccc2)c(=O)o1
Show InChI InChI=1S/C14H12O4S/c1-2-17-13(15)11-8-9-12(14(16)18-11)19-10-6-4-3-5-7-10/h3-9H,2H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Centre de Recherches de Vitry

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase in rat (peritoneal assay)


J Med Chem 33: 2744-9 (1990)


Article DOI: 10.1021/jm00172a010
BindingDB Entry DOI: 10.7270/Q2MK6BVP
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50014205
PNG
(2-Hydroxy-5-methylsulfanyl-6-oxo-6-phenyl-hexa-2,4...)
Show SMILES CCOC(=O)C(=O)CC=C(SC)C(=O)c1ccccc1
Show InChI InChI=1S/C15H16O4S/c1-3-19-15(18)12(16)9-10-13(20-2)14(17)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Centre de Recherches de Vitry

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase in rat (peritoneal assay)


J Med Chem 33: 2744-9 (1990)


Article DOI: 10.1021/jm00172a010
BindingDB Entry DOI: 10.7270/Q2MK6BVP
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50014191
PNG
(2-Benzylsulfanyl-5-hydroxy-hexa-2,4-dienedioic aci...)
Show SMILES CCOC(=O)C(=O)CC=C(SCc1ccccc1)C(=O)OCC
Show InChI InChI=1S/C17H20O5S/c1-3-21-16(19)14(18)10-11-15(17(20)22-4-2)23-12-13-8-6-5-7-9-13/h5-9,11H,3-4,10,12H2,1-2H3
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Centre de Recherches de Vitry

Curated by ChEMBL


Assay Description
Iin vitro inhibition of 5-lipoxygenase activity in rat basophil leukemia type 1(RBL1) cell homogenates, (reduction of [14C]-5-HETE formation)


J Med Chem 33: 2744-9 (1990)


Article DOI: 10.1021/jm00172a010
BindingDB Entry DOI: 10.7270/Q2MK6BVP
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50014202
PNG
(2-Hydroxy-6-oxo-6-phenyl-5-phenylsulfanyl-hexa-2,4...)
Show SMILES CCOC(=O)C(=O)CC=C(Sc1ccccc1)C(=O)c1ccccc1
Show InChI InChI=1S/C20H18O4S/c1-2-24-20(23)17(21)13-14-18(25-16-11-7-4-8-12-16)19(22)15-9-5-3-6-10-15/h3-12,14H,2,13H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Centre de Recherches de Vitry

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase in rat (peritoneal assay)


J Med Chem 33: 2744-9 (1990)


Article DOI: 10.1021/jm00172a010
BindingDB Entry DOI: 10.7270/Q2MK6BVP
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50014194
PNG
(2-Hydroxy-5-phenylsulfanyl-hexa-2,4-dienedioic aci...)
Show SMILES CCOC(=O)C(=O)CC=C(Sc1ccccc1)C(=O)OCC
Show InChI InChI=1S/C16H18O5S/c1-3-20-15(18)13(17)10-11-14(16(19)21-4-2)22-12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Centre de Recherches de Vitry

Curated by ChEMBL


Assay Description
Iin vitro inhibition of 5-lipoxygenase activity in rat basophil leukemia type 1(RBL1) cell homogenates, (reduction of [14C]-5-HETE formation)


J Med Chem 33: 2744-9 (1990)


Article DOI: 10.1021/jm00172a010
BindingDB Entry DOI: 10.7270/Q2MK6BVP
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50014196
PNG
(2-Hydroxy-5-phenyl-hexa-2,4-dienedioic acid diethy...)
Show SMILES CCOC(=O)C(=O)CC=C(C(=O)OCC)c1ccccc1
Show InChI InChI=1S/C16H18O5/c1-3-20-15(18)13(12-8-6-5-7-9-12)10-11-14(17)16(19)21-4-2/h5-10H,3-4,11H2,1-2H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Centre de Recherches de Vitry

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase in rat (peritoneal assay)


J Med Chem 33: 2744-9 (1990)


Article DOI: 10.1021/jm00172a010
BindingDB Entry DOI: 10.7270/Q2MK6BVP
More data for this
Ligand-Target Pair
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