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PubMed code 1433212

Compile data set for download or QSAR
Found 59 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
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003451
PNG
((Z)-1-Biphenyl-4-yl-3-(hydroxy-methyl-amino)-prope...)
Show SMILES CN(O)\C=C/C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H15NO2/c1-17(19)12-11-16(18)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-12,19H,1H3/b12-11-
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n/an/a 60n/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003426
PNG
(1-(4-Fluoro-phenyl)-3-(hydroxy-phenethyl-amino)-pr...)
Show SMILES ON(CCc1ccccc1)\C=C/C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H16FNO2/c18-16-8-6-15(7-9-16)17(20)11-13-19(21)12-10-14-4-2-1-3-5-14/h1-9,11,13,21H,10,12H2/b13-11-
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003446
PNG
((Z)-3-(Benzyl-hydroxy-amino)-1-(4-fluoro-phenyl)-p...)
Show SMILES ON(Cc1ccccc1)\C=C/C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C16H14FNO2/c17-15-8-6-14(7-9-15)16(19)10-11-18(20)12-13-4-2-1-3-5-13/h1-11,20H,12H2/b11-10-
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003455
PNG
((Z)-1-(4-Fluoro-phenyl)-3-(hydroxy-phenyl-amino)-p...)
Show SMILES ON(\C=C/C(=O)c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C15H12FNO2/c16-13-8-6-12(7-9-13)15(18)10-11-17(19)14-4-2-1-3-5-14/h1-11,19H/b11-10-
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003445
PNG
(3-(Hydroxy-methyl-amino)-thioacrylic acid S-naphth...)
Show SMILES CN(O)\C=C/C(=O)Sc1ccc2ccccc2c1
Show InChI InChI=1S/C14H13NO2S/c1-15(17)9-8-14(16)18-13-7-6-11-4-2-3-5-12(11)10-13/h2-10,17H,1H3/b9-8-
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003458
PNG
((Z)-3-(Benzyl-hydroxy-amino)-1-(4-fluoro-phenyl)-b...)
Show SMILES CC(=CC(=O)c1ccc(F)cc1)N(O)Cc1ccccc1
Show InChI InChI=1S/C17H16FNO2/c1-13(19(21)12-14-5-3-2-4-6-14)11-17(20)15-7-9-16(18)10-8-15/h2-11,21H,12H2,1H3
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003424
PNG
(3-(Benzyl-hydroxy-amino)-1-biphenyl-4-yl-propenone...)
Show SMILES ON(Cc1ccccc1)\C=C/C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H19NO2/c24-22(15-16-23(25)17-18-7-3-1-4-8-18)21-13-11-20(12-14-21)19-9-5-2-6-10-19/h1-16,25H,17H2/b16-15-
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003447
PNG
((Z)-3-(Cyclohexyl-hydroxy-amino)-1-(4-fluoro-pheny...)
Show SMILES ON(\C=C/C(=O)c1ccc(F)cc1)C1CCCCC1
Show InChI InChI=1S/C15H18FNO2/c16-13-8-6-12(7-9-13)15(18)10-11-17(19)14-4-2-1-3-5-14/h6-11,14,19H,1-5H2/b11-10-
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003442
PNG
(1-(4-Fluoro-phenyl)-3-(hydroxy-naphthalen-2-ylmeth...)
Show SMILES ON(Cc1ccc2ccccc2c1)\C=C/C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C20H16FNO2/c21-19-9-7-17(8-10-19)20(23)11-12-22(24)14-15-5-6-16-3-1-2-4-18(16)13-15/h1-13,24H,14H2/b12-11-
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003408
PNG
(1-(4-Chloro-phenyl)-3-(hydroxy-methyl-amino)-prope...)
Show SMILES CN(O)\C=C/C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C10H10ClNO2/c1-12(14)7-6-10(13)8-2-4-9(11)5-3-8/h2-7,14H,1H3/b7-6-
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003417
PNG
(3-(Benzyl-hydroxy-amino)-1-(3,4-dichloro-phenyl)-p...)
Show SMILES ON(Cc1ccccc1)\C=C/C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H13Cl2NO2/c17-14-7-6-13(10-15(14)18)16(20)8-9-19(21)11-12-4-2-1-3-5-12/h1-10,21H,11H2/b9-8-
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003452
PNG
(3-[(1-Ethyl-naphthalen-2-yl)-hydroxy-amino]-1-naph...)
Show SMILES CCc1c(ccc2ccccc12)N(O)\C=C/C(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C25H21NO2/c1-2-22-23-10-6-5-8-19(23)13-14-24(22)26(28)16-15-25(27)21-12-11-18-7-3-4-9-20(18)17-21/h3-17,28H,2H2,1H3/b16-15-
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003416
PNG
(3-(Hydroxy-phenyl-amino)-1-naphthalen-2-yl-propeno...)
Show SMILES ON(\C=C/C(=O)c1ccc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C19H15NO2/c21-19(12-13-20(22)18-8-2-1-3-9-18)17-11-10-15-6-4-5-7-16(15)14-17/h1-14,22H/b13-12-
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003438
PNG
(1-(3,5-Bis-trifluoromethyl-phenyl)-3-(hydroxy-meth...)
Show SMILES CN(O)\C=C/C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C12H9F6NO2/c1-19(21)3-2-10(20)7-4-8(11(13,14)15)6-9(5-7)12(16,17)18/h2-6,21H,1H3/b3-2-
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003449
PNG
(1-(4-Benzyloxy-phenyl)-3-(hydroxy-methyl-amino)-pr...)
Show SMILES CN(O)\C=C/C(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C17H17NO3/c1-18(20)12-11-17(19)15-7-9-16(10-8-15)21-13-14-5-3-2-4-6-14/h2-12,20H,13H2,1H3/b12-11-
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003411
PNG
(3-(Biphenyl-4-ylmethyl-hydroxy-amino)-1-cyclopropy...)
Show SMILES ON(Cc1ccc(cc1)-c1ccccc1)C=CC(=O)C1CC1
Show InChI InChI=1S/C19H19NO2/c21-19(18-10-11-18)12-13-20(22)14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-9,12-13,18,22H,10-11,14H2
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003466
PNG
(2-[(Benzyl-hydroxy-amino)-methylene]-3,4-dihydro-2...)
Show SMILES ON(Cc1ccccc1)\C=C1\CCc2ccccc2C1=O
Show InChI InChI=1S/C18H17NO2/c20-18-16(11-10-15-8-4-5-9-17(15)18)13-19(21)12-14-6-2-1-3-7-14/h1-9,13,21H,10-12H2/b16-13-
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003428
PNG
(1-Cyclopropyl-3-[hydroxy-(4-phenoxy-benzyl)-amino]...)
Show SMILES ON(Cc1ccc(Oc2ccccc2)cc1)C=CC(=O)C1CC1
Show InChI InChI=1S/C19H19NO3/c21-19(16-8-9-16)12-13-20(22)14-15-6-10-18(11-7-15)23-17-4-2-1-3-5-17/h1-7,10-13,16,22H,8-9,14H2
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003430
PNG
(3-(Benzyl-hydroxy-amino)-1-(4-chloro-phenyl)-prope...)
Show SMILES ON(Cc1ccccc1)\C=C/C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H14ClNO2/c17-15-8-6-14(7-9-15)16(19)10-11-18(20)12-13-4-2-1-3-5-13/h1-11,20H,12H2/b11-10-
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003432
PNG
(1-Cyclopropyl-3-(hydroxy-naphthalen-2-ylmethyl-ami...)
Show SMILES ON(Cc1ccc2ccccc2c1)C=CC(=O)C1CC1
Show InChI InChI=1S/C17H17NO2/c19-17(15-7-8-15)9-10-18(20)12-13-5-6-14-3-1-2-4-16(14)11-13/h1-6,9-11,15,20H,7-8,12H2
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003439
PNG
(3-(Hydroxy-methyl-amino)-1-(4-nitro-phenyl)-propen...)
Show SMILES C[N+](=O)C[CH-]C(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H10N2O4/c1-11(14)7-6-10(13)8-2-4-9(5-3-8)12(15)16/h2-6H,7H2,1H3
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003461
PNG
(3-(Benzyl-hydroxy-amino)-1-naphthalen-2-yl-propeno...)
Show SMILES ON(Cc1ccccc1)\C=C/C(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C20H17NO2/c22-20(12-13-21(23)15-16-6-2-1-3-7-16)19-11-10-17-8-4-5-9-18(17)14-19/h1-14,23H,15H2/b13-12-
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003409
PNG
(3-(Benzyl-hydroxy-amino)-1-(2,6-dichloro-phenyl)-p...)
Show SMILES ON(Cc1ccccc1)\C=C/C(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C16H13Cl2NO2/c17-13-7-4-8-14(18)16(13)15(20)9-10-19(21)11-12-5-2-1-3-6-12/h1-10,21H,11H2/b10-9-
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003440
PNG
(3-(Hydroxy-methyl-amino)-1-naphthalen-2-yl-propeno...)
Show SMILES CN(O)\C=C/C(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C14H13NO2/c1-15(17)9-8-14(16)13-7-6-11-4-2-3-5-12(11)10-13/h2-10,17H,1H3/b9-8-
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003415
PNG
(CHEMBL130267 | Sodium salt of 1-(4-Benzoyl-phenyl)...)
Show SMILES CN([O-])\C=C/C(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C17H16NO3/c1-18(20)12-11-17(19)15-7-9-16(10-8-15)21-13-14-5-3-2-4-6-14/h2-12H,13H2,1H3/q-1/b12-11-
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n/an/a 1.90E+3n/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003420
PNG
(3-(Benzyl-hydroxy-amino)-1-pyridin-4-yl-propenone ...)
Show SMILES ON(Cc1ccccc1)\C=C/C(=O)c1ccncc1
Show InChI InChI=1S/C15H14N2O2/c18-15(14-6-9-16-10-7-14)8-11-17(19)12-13-4-2-1-3-5-13/h1-11,19H,12H2/b11-8-
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003464
PNG
(3-(Benzyl-hydroxy-amino)-1-(4-nitro-phenyl)-propen...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)[CH-]C[N+](=O)Cc1ccccc1
Show InChI InChI=1S/C16H14N2O4/c19-16(14-6-8-15(9-7-14)18(21)22)10-11-17(20)12-13-4-2-1-3-5-13/h1-10H,11-12H2
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003414
PNG
(3-(Cyclohexyl-hydroxy-amino)-1-naphthalen-2-yl-pro...)
Show SMILES ON(\C=C/C(=O)c1ccc2ccccc2c1)C1CCCCC1
Show InChI InChI=1S/C19H21NO2/c21-19(12-13-20(22)18-8-2-1-3-9-18)17-11-10-15-6-4-5-7-16(15)14-17/h4-7,10-14,18,22H,1-3,8-9H2/b13-12-
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n/an/a 2.60E+3n/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003427
PNG
(3-[(4-Benzyloxy-benzyl)-hydroxy-amino]-1-cycloprop...)
Show SMILES ON(Cc1ccc(OCc2ccccc2)cc1)C=CC(=O)C1CC1
Show InChI InChI=1S/C20H21NO3/c22-20(18-8-9-18)12-13-21(23)14-16-6-10-19(11-7-16)24-15-17-4-2-1-3-5-17/h1-7,10-13,18,23H,8-9,14-15H2
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003419
PNG
(3-(Biphenyl-4-ylmethyl-hydroxy-amino)-1-thiophen-3...)
Show SMILES ON(Cc1ccc(cc1)-c1ccccc1)\C=C/C(=O)c1ccsc1
Show InChI InChI=1S/C20H17NO2S/c22-20(19-11-13-24-15-19)10-12-21(23)14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-13,15,23H,14H2/b12-10-
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003444
PNG
((Z)-3-(Biphenyl-4-ylmethyl-hydroxy-amino)-1-(4-flu...)
Show SMILES ON(Cc1ccc(cc1)-c1ccccc1)\C=C/C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C22H18FNO2/c23-21-12-10-20(11-13-21)22(25)14-15-24(26)16-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-15,26H,16H2/b15-14-
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003459
PNG
(3-(Biphenyl-4-ylmethyl-hydroxy-amino)-1-furan-2-yl...)
Show SMILES ON(Cc1ccc(cc1)-c1ccccc1)\C=C/C(=O)c1ccco1
Show InChI InChI=1S/C20H17NO3/c22-19(20-7-4-14-24-20)12-13-21(23)15-16-8-10-18(11-9-16)17-5-2-1-3-6-17/h1-14,23H,15H2/b13-12-
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003422
PNG
(3-[(4-Benzyloxy-benzyl)-hydroxy-amino]-acrylic aci...)
Show SMILES COC(=O)\C=C/N(O)Cc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C18H19NO4/c1-22-18(20)11-12-19(21)13-15-7-9-17(10-8-15)23-14-16-5-3-2-4-6-16/h2-12,21H,13-14H2,1H3/b12-11-
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003453
PNG
((Z)-1-(4-Fluoro-phenyl)-3-(hydroxy-methyl-amino)-p...)
Show SMILES CN(O)\C=C/C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C10H10FNO2/c1-12(14)7-6-10(13)8-2-4-9(11)5-3-8/h2-7,14H,1H3/b7-6-
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003421
PNG
(1-(Benzyl-hydroxy-amino)-4,4-dimethyl-pent-1-en-3-...)
Show SMILES CC(C)(C)C(=O)\C=C/N(O)Cc1ccccc1
Show InChI InChI=1S/C14H19NO2/c1-14(2,3)13(16)9-10-15(17)11-12-7-5-4-6-8-12/h4-10,17H,11H2,1-3H3/b10-9-
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003462
PNG
(3-(Hydroxy-methyl-amino)-1-(4-methoxy-phenyl)-prop...)
Show SMILES COc1ccc(cc1)C(=O)\C=C/N(C)O
Show InChI InChI=1S/C11H13NO3/c1-12(14)8-7-11(13)9-3-5-10(15-2)6-4-9/h3-8,14H,1-2H3/b8-7-
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003434
PNG
(1-(4-Benzyloxy-phenyl)-3-(hydroxy-methyl-amino)-2-...)
Show SMILES CN(O)\C=C(\C)C(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C18H19NO3/c1-14(12-19(2)21)18(20)16-8-10-17(11-9-16)22-13-15-6-4-3-5-7-15/h3-12,21H,13H2,1-2H3/b14-12-
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003465
PNG
(3-(Hydroxy-methyl-amino)-1-[4-(pyridin-2-ylmethoxy...)
Show SMILES CN(O)\C=C/C(=O)c1ccc(OCc2ccccn2)cc1
Show InChI InChI=1S/C16H16N2O3/c1-18(20)11-9-16(19)13-5-7-15(8-6-13)21-12-14-4-2-3-10-17-14/h2-11,20H,12H2,1H3/b11-9-
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003418
PNG
(3-(Decyl-hydroxy-amino)-1-(4-fluoro-phenyl)-propen...)
Show SMILES CCCCCCCCCCN(O)\C=C/C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C19H28FNO2/c1-2-3-4-5-6-7-8-9-15-21(23)16-14-19(22)17-10-12-18(20)13-11-17/h10-14,16,23H,2-9,15H2,1H3/b16-14-
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003456
PNG
(3-(Hydroxy-methyl-amino)-1,2-diphenyl-propenone | ...)
Show SMILES CN(O)\C=C(/C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H15NO2/c1-17(19)12-15(13-8-4-2-5-9-13)16(18)14-10-6-3-7-11-14/h2-12,19H,1H3/b15-12-
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003450
PNG
(1-Benzyloxyamino-4,4-dimethyl-pent-1-en-3-one | CH...)
Show SMILES CC(C)(C)C(=O)C\C=N\OCc1ccccc1
Show InChI InChI=1S/C14H19NO2/c1-14(2,3)13(16)9-10-15-17-11-12-7-5-4-6-8-12/h4-8,10H,9,11H2,1-3H3/b15-10+
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003460
PNG
(3-Benzyloxyamino-1-(4-fluoro-phenyl)-propenone | C...)
Show SMILES Fc1ccc(cc1)C(=O)CC=NOCc1ccccc1
Show InChI InChI=1S/C16H14FNO2/c17-15-8-6-14(7-9-15)16(19)10-11-18-20-12-13-4-2-1-3-5-13/h1-9,11H,10,12H2
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003412
PNG
(CHEMBL133527 | N-Benzyloxy-N-(4,4-dimethyl-3-oxo-p...)
Show SMILES CC(=O)N(OCc1ccccc1)\C=C/C(=O)C(C)(C)C
Show InChI InChI=1S/C16H21NO3/c1-13(18)17(11-10-15(19)16(2,3)4)20-12-14-8-6-5-7-9-14/h5-11H,12H2,1-4H3/b11-10-
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003463
PNG
(2-(4-Fluoro-phenyl)-3-(hydroxy-methyl-amino)-1-(4-...)
Show SMILES CSc1ccc(cc1)C(=O)C(=C/N(C)O)\c1ccc(F)cc1
Show InChI InChI=1S/C17H16FNO2S/c1-19(21)11-16(12-3-7-14(18)8-4-12)17(20)13-5-9-15(22-2)10-6-13/h3-11,21H,1-2H3/b16-11-
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003429
PNG
(1-(4-nitrophenyl)-3-benzyl-3-acetyloxyamino-propen...)
Show SMILES CC(=O)O[N+](Cc1ccccc1)=C[CH-]C(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C18H16N2O5/c1-14(21)25-19(13-15-5-3-2-4-6-15)12-11-18(22)16-7-9-17(10-8-16)20(23)24/h2-12H,13H2,1H3
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003457
PNG
(3-Benzyloxyamino-1-(2-methoxy-phenyl)-propenone | ...)
Show SMILES COc1ccccc1C(=O)C\C=N\OCc1ccccc1
Show InChI InChI=1S/C17H17NO3/c1-20-17-10-6-5-9-15(17)16(19)11-12-18-21-13-14-7-3-2-4-8-14/h2-10,12H,11,13H2,1H3/b18-12+
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003431
PNG
(CHEMBL131880 | N-Acetoxy-3-methylamino-1-(biphenyl...)
Show SMILES CN(OC(C)=O)C=CC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H17NO3/c1-14(20)22-19(2)13-12-18(21)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-13H,1-2H3
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003423
PNG
(CHEMBL131090 | N-Acetoxy-3-benzylamino-1-(4-chloro...)
Show SMILES CC(=O)ON(Cc1ccccc1)C=CC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H16ClNO3/c1-14(21)23-20(13-15-5-3-2-4-6-15)12-11-18(22)16-7-9-17(19)10-8-16/h2-12H,13H2,1H3
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003425
PNG
(CHEMBL130376 | N-Acetoxy-1-benzylamino-4,4-dimethy...)
Show SMILES CC(=O)ON(Cc1ccccc1)C=CC(=O)C(C)(C)C
Show InChI InChI=1S/C16H21NO3/c1-13(18)20-17(11-10-15(19)16(2,3)4)12-14-8-6-5-7-9-14/h5-11H,12H2,1-4H3
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003435
PNG
(3-(Biphenyl-4-ylmethyl-hydroxy-amino)-1-thiophen-2...)
Show SMILES ON(Cc1ccc(cc1)-c1ccccc1)\C=C/C(=O)c1cccs1
Show InChI InChI=1S/C20H17NO2S/c22-19(20-7-4-14-24-20)12-13-21(23)15-16-8-10-18(11-9-16)17-5-2-1-3-6-17/h1-14,23H,15H2/b13-12-
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003413
PNG
(1-(biphenyl)-3-benzyl-3-acetyloxyamino-propenone |...)
Show SMILES CC(=O)ON(Cc1ccccc1)C=CC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H21NO3/c1-19(26)28-25(18-20-8-4-2-5-9-20)17-16-24(27)23-14-12-22(13-15-23)21-10-6-3-7-11-21/h2-17H,18H2,1H3
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003443
PNG
(1-(4-Benzoyl-phenyl)-3-methyl-3-acetyloxyamino-pro...)
Show SMILES CN(OC(C)=O)C=CC(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C19H19NO4/c1-15(21)24-20(2)13-12-19(22)17-8-10-18(11-9-17)23-14-16-6-4-3-5-7-16/h3-13H,14H2,1-2H3
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003410
PNG
((Z)-3-(Benzyl-methoxy-amino)-1-(4-fluoro-phenyl)-p...)
Show SMILES CON(Cc1ccccc1)\C=C/C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H16FNO2/c1-21-19(13-14-5-3-2-4-6-14)12-11-17(20)15-7-9-16(18)10-8-15/h2-12H,13H2,1H3/b12-11-
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003441
PNG
(3-(Benzyl-methoxy-amino)-1-(2-methoxy-phenyl)-prop...)
Show SMILES CON(Cc1ccccc1)\C=C/C(=O)c1ccccc1OC
Show InChI InChI=1S/C18H19NO3/c1-21-18-11-7-6-10-16(18)17(20)12-13-19(22-2)14-15-8-4-3-5-9-15/h3-13H,14H2,1-2H3/b13-12-
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003437
PNG
(CHEMBL131267 | N-Acetoxy-3-methylamino-1-(4-chloro...)
Show SMILES CN(OC(C)=O)C=CC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C12H12ClNO3/c1-9(15)17-14(2)8-7-12(16)10-3-5-11(13)6-4-10/h3-8H,1-2H3
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003433
PNG
(3-Benzyloxyamino-1-biphenyl-4-yl-propenone | CHEMB...)
Show SMILES O=C(CC=NOCc1ccccc1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H19NO2/c24-22(15-16-23-25-17-18-7-3-1-4-8-18)21-13-11-20(12-14-21)19-9-5-2-6-10-19/h1-14,16H,15,17H2
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003448
PNG
((2Z)-3-[(acetyloxy)(benzyl)amino]-1-(4-fluoropheny...)
Show SMILES CC(=O)ON(Cc1ccccc1)C=CC(=O)c1ccc(F)cc1
Show InChI InChI=1S/C18H16FNO3/c1-14(21)23-20(13-15-5-3-2-4-6-15)12-11-18(22)16-7-9-17(19)10-8-16/h2-12H,13H2,1H3
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003454
PNG
(CHEMBL130800 | N-Acetoxy-3-methylamino-1-(4-nitro-...)
Show SMILES CC(=O)O[N+](C)=C[CH-]C(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C12H12N2O5/c1-9(15)19-13(2)8-7-12(16)10-3-5-11(6-4-10)14(17)18/h3-8H,1-2H3
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n/an/a>2.50E+4n/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50003436
PNG
(3-(Hydroxy-methyl-amino)-1,2-bis-(4-methoxy-phenyl...)
Show SMILES COc1ccc(cc1)C(=O)C(=C/N(C)O)\c1ccc(OC)cc1
Show InChI InChI=1S/C18H19NO4/c1-19(21)12-17(13-4-8-15(22-2)9-5-13)18(20)14-6-10-16(23-3)11-7-14/h4-12,21H,1-3H3/b17-12-
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%