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PubMed code 1847426

Compile data set for download or QSAR
Found 28 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)
BDBM50008958
PNG
(2,6-Dimethoxy-4-[2-(3-methyl-isothiazol-5-yl)-viny...)
Show SMILES COc1cc(\C=C\c2cc(C)ns2)cc(OC)c1O
Show InChI InChI=1S/C14H15NO3S/c1-9-6-11(19-15-9)5-4-10-7-12(17-2)14(16)13(8-10)18-3/h4-8,16H,1-3H3/b5-4+
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n/an/a 200n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cells


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


(Rattus norvegicus)
BDBM50008945
PNG
(2,6-Dimethyl-4-[2-(5-methyl-1H-pyrazol-3-yl)-vinyl...)
Show SMILES Cc1cc(C=Cc2cc(C)c(O)c(C)c2)[nH]n1
Show InChI InChI=1S/C14H16N2O/c1-9-6-12(7-10(2)14(9)17)4-5-13-8-11(3)15-16-13/h4-8,17H,1-3H3,(H,15,16)
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n/an/a 800n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cells


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


(Rattus norvegicus)
BDBM50008940
PNG
(2,6-Diisopropyl-4-[2-(3-methyl-isoxazol-5-yl)-viny...)
Show SMILES CC(C)c1cc(\C=C\c2cc(C)no2)cc(C(C)C)c1O
Show InChI InChI=1S/C18H23NO2/c1-11(2)16-9-14(10-17(12(3)4)18(16)20)6-7-15-8-13(5)19-21-15/h6-12,20H,1-5H3/b7-6+
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n/an/a 1.00E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cells


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


(Rattus norvegicus)
BDBM50008962
PNG
(2-tert-Butyl-6-methoxy-4-[2-(5-methyl-isothiazol-3...)
Show SMILES COc1cc(\C=C\c2cc(C)sn2)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C17H21NO2S/c1-11-8-13(18-21-11)7-6-12-9-14(17(2,3)4)16(19)15(10-12)20-5/h6-10,19H,1-5H3/b7-6+
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n/an/a 1.20E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cells


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


(Rattus norvegicus)
BDBM50008959
PNG
(2-tert-Butyl-6-methoxy-4-[2-(3-methyl-isoxazol-5-y...)
Show SMILES COc1cc(\C=C\c2cc(C)no2)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C17H21NO3/c1-11-8-13(21-18-11)7-6-12-9-14(17(2,3)4)16(19)15(10-12)20-5/h6-10,19H,1-5H3/b7-6+
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n/an/a 1.30E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cells


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


(Rattus norvegicus)
BDBM50008942
PNG
(2,6-Dimethoxy-4-[2-(3-methyl-isoxazol-5-yl)-vinyl]...)
Show SMILES COc1cc(\C=C\c2cc(C)no2)cc(OC)c1O
Show InChI InChI=1S/C14H15NO4/c1-9-6-11(19-15-9)5-4-10-7-12(17-2)14(16)13(8-10)18-3/h4-8,16H,1-3H3/b5-4+
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n/an/a 1.40E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cells


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


(Rattus norvegicus)
BDBM50008966
PNG
(2,6-Di-tert-butyl-4-[2-(2,5-dimethyl-2H-pyrazol-3-...)
Show SMILES Cc1cc(\C=C\c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)n(C)n1
Show InChI InChI=1S/C21H30N2O/c1-14-11-16(23(8)22-14)10-9-15-12-17(20(2,3)4)19(24)18(13-15)21(5,6)7/h9-13,24H,1-8H3/b10-9+
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n/an/a 1.40E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cells


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


(Rattus norvegicus)
BDBM50008953
PNG
(2-tert-Butyl-6-methoxy-4-[2-(3-methyl-isothiazol-5...)
Show SMILES COc1cc(\C=C\c2cc(C)ns2)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C17H21NO2S/c1-11-8-13(21-18-11)7-6-12-9-14(17(2,3)4)16(19)15(10-12)20-5/h6-10,19H,1-5H3/b7-6+
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n/an/a 1.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cells


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


(Rattus norvegicus)
BDBM50008949
PNG
(2,6-Di-tert-butyl-4-[2-(1,5-dimethyl-1H-pyrazol-3-...)
Show SMILES Cc1cc(\C=C\c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)nn1C
Show InChI InChI=1S/C21H30N2O/c1-14-11-16(22-23(14)8)10-9-15-12-17(20(2,3)4)19(24)18(13-15)21(5,6)7/h9-13,24H,1-8H3/b10-9+
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n/an/a 1.70E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cells


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


(Rattus norvegicus)
BDBM50008957
PNG
(2-Methoxy-4-[2-(3-methyl-isothiazol-5-yl)-vinyl]-p...)
Show SMILES COc1cc(\C=C\c2cc(C)ns2)ccc1O
Show InChI InChI=1S/C13H13NO2S/c1-9-7-11(17-14-9)5-3-10-4-6-12(15)13(8-10)16-2/h3-8,15H,1-2H3/b5-3+
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n/an/a 1.80E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cells


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


(Rattus norvegicus)
BDBM50008961
PNG
(2-tert-Butyl-6-methyl-4-[2-(3-methyl-isoxazol-5-yl...)
Show SMILES Cc1cc(\C=C\c2cc(C)c(O)c(c2)C(C)(C)C)on1
Show InChI InChI=1S/C17H21NO2/c1-11-8-13(6-7-14-9-12(2)18-20-14)10-15(16(11)19)17(3,4)5/h6-10,19H,1-5H3/b7-6+
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n/an/a 2.30E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cells


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


(Rattus norvegicus)
BDBM50008964
PNG
(2,6-Di-tert-butyl-4-[2-(3-methyl-isoxazol-5-yl)-vi...)
Show SMILES Cc1cc(\C=C\c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)on1
Show InChI InChI=1S/C20H27NO2/c1-13-10-15(23-21-13)9-8-14-11-16(19(2,3)4)18(22)17(12-14)20(5,6)7/h8-12,22H,1-7H3/b9-8+
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n/an/a 2.40E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cells


Citation and Details
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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n/an/a 2.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cells


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


(Rattus norvegicus)
BDBM50008941
PNG
(2,6-Dimethoxy-4-[2-(5-methyl-1H-pyrazol-3-yl)-viny...)
Show SMILES COc1cc(C=Cc2cc(C)n[nH]2)cc(OC)c1O
Show InChI InChI=1S/C14H16N2O3/c1-9-6-11(16-15-9)5-4-10-7-12(18-2)14(17)13(8-10)19-3/h4-8,17H,1-3H3,(H,15,16)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cells


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


(Rattus norvegicus)
BDBM50008946
PNG
(2,6-Di-tert-butyl-4-[2-(5-methyl-isoxazol-3-yl)-vi...)
Show SMILES Cc1cc(\C=C\c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)no1
Show InChI InChI=1S/C20H27NO2/c1-13-10-15(21-23-13)9-8-14-11-16(19(2,3)4)18(22)17(12-14)20(5,6)7/h8-12,22H,1-7H3/b9-8+
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n/an/a 2.70E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cells


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


(Rattus norvegicus)
BDBM50008965
PNG
(2,6-Di-tert-butyl-4-[2-(5-methyl-1H-pyrazol-3-yl)-...)
Show SMILES Cc1cc(C=Cc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)[nH]n1
Show InChI InChI=1S/C20H28N2O/c1-13-10-15(22-21-13)9-8-14-11-16(19(2,3)4)18(23)17(12-14)20(5,6)7/h8-12,23H,1-7H3,(H,21,22)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cells


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


(Rattus norvegicus)
BDBM50008956
PNG
(2,6-Diisopropyl-4-[2-(5-methyl-1H-pyrazol-3-yl)-vi...)
Show SMILES CC(C)c1cc(C=Cc2cc(C)n[nH]2)cc(C(C)C)c1O
Show InChI InChI=1S/C18H24N2O/c1-11(2)16-9-14(10-17(12(3)4)18(16)21)6-7-15-8-13(5)19-20-15/h6-12,21H,1-5H3,(H,19,20)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cells


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


(Rattus norvegicus)
BDBM50008939
PNG
(2-Bromo-6-methoxy-4-[2-(3-methyl-isoxazol-5-yl)-vi...)
Show SMILES COc1cc(\C=C\c2cc(C)no2)cc(Br)c1O
Show InChI InChI=1S/C13H12BrNO3/c1-8-5-10(18-15-8)4-3-9-6-11(14)13(16)12(7-9)17-2/h3-7,16H,1-2H3/b4-3+
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n/an/a 4.00E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cells


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


(Rattus norvegicus)
BDBM50008947
PNG
(2,6-Dimethyl-4-[2-(3-methyl-isoxazol-5-yl)-vinyl]-...)
Show SMILES Cc1cc(\C=C\c2cc(C)c(O)c(C)c2)on1
Show InChI InChI=1S/C14H15NO2/c1-9-6-12(7-10(2)14(9)16)4-5-13-8-11(3)15-17-13/h4-8,16H,1-3H3/b5-4+
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n/an/a 4.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cells


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


(Rattus norvegicus)
BDBM50008960
PNG
(2-Methoxy-4-[2-(3-methyl-isoxazol-5-yl)-vinyl]-phe...)
Show SMILES COc1cc(\C=C\c2cc(C)no2)ccc1O
Show InChI InChI=1S/C13H13NO3/c1-9-7-11(17-14-9)5-3-10-4-6-12(15)13(8-10)16-2/h3-8,15H,1-2H3/b5-3+
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n/an/a 5.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cells


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


(Rattus norvegicus)
BDBM50008954
PNG
(3-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-1-meth...)
Show SMILES CON1CC\C(=C/c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)C1=O
Show InChI InChI=1S/C20H29NO3/c1-19(2,3)15-11-13(12-16(17(15)22)20(4,5)6)10-14-8-9-21(24-7)18(14)23/h10-12,22H,8-9H2,1-7H3/b14-10+
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n/an/a 8.10E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cells


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


(Rattus norvegicus)
BDBM50008955
PNG
(2,6-Dibromo-4-[2-(3-methyl-isoxazol-5-yl)-vinyl]-p...)
Show SMILES Cc1cc(\C=C\c2cc(Br)c(O)c(Br)c2)on1
Show InChI InChI=1S/C12H9Br2NO2/c1-7-4-9(17-15-7)3-2-8-5-10(13)12(16)11(14)6-8/h2-6,16H,1H3/b3-2+
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n/an/a 1.10E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cells


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


(Rattus norvegicus)
BDBM50008952
PNG
(CHEMBL357141 | {3-[2-(3,5-Di-tert-butyl-4-hydroxy-...)
Show SMILES CC(C)(C)c1cc(\C=C\c2cc(CC(O)=O)on2)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C21H27NO4/c1-20(2,3)16-9-13(10-17(19(16)25)21(4,5)6)7-8-14-11-15(26-22-14)12-18(23)24/h7-11,25H,12H2,1-6H3,(H,23,24)/b8-7+
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n/an/a 1.70E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cells


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


(Rattus norvegicus)
BDBM50008943
PNG
(4-[2-(3-Methyl-isoxazol-5-yl)-vinyl]-phenol | CHEM...)
Show SMILES Cc1cc(\C=C\c2ccc(O)cc2)on1
Show InChI InChI=1S/C12H11NO2/c1-9-8-12(15-13-9)7-4-10-2-5-11(14)6-3-10/h2-8,14H,1H3/b7-4+
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n/an/a 2.00E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cells


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


(Rattus norvegicus)
BDBM50008963
PNG
(2,6-Dichloro-4-[2-(3-methyl-isoxazol-5-yl)-vinyl]-...)
Show SMILES Cc1cc(\C=C\c2cc(Cl)c(O)c(Cl)c2)on1
Show InChI InChI=1S/C12H9Cl2NO2/c1-7-4-9(17-15-7)3-2-8-5-10(13)12(16)11(14)6-8/h2-6,16H,1H3/b3-2+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.10E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cells


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


(Rattus norvegicus)
BDBM50008944
PNG
(5-[2-(4-Hydroxy-3-methoxy-phenyl)-vinyl]-2H-pyrazo...)
Show SMILES COc1cc(C=Cc2cc(n[nH]2)C(O)=O)ccc1O
Show InChI InChI=1S/C13H12N2O4/c1-19-12-6-8(3-5-11(12)16)2-4-9-7-10(13(17)18)15-14-9/h2-7,16H,1H3,(H,14,15)(H,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cells


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


(Rattus norvegicus)
BDBM50008948
PNG
(3-Methyl-5-styryl-isoxazole | CHEMBL347053)
Show SMILES Cc1cc(\C=C\c2ccccc2)on1
Show InChI InChI=1S/C12H11NO/c1-10-9-12(14-13-10)8-7-11-5-3-2-4-6-11/h2-9H,1H3/b8-7+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cells


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


(Rattus norvegicus)
BDBM50008951
PNG
(2,6-Di-tert-butyl-4-[2-(3-trifluoromethyl-isoxazol...)
Show SMILES CC(C)(C)c1cc(\C=C\c2cc(no2)C(F)(F)F)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C20H24F3NO2/c1-18(2,3)14-9-12(10-15(17(14)25)19(4,5)6)7-8-13-11-16(24-26-13)20(21,22)23/h7-11,25H,1-6H3/b8-7+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cells


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