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PubMed code 1321908

Compile data set for download or QSAR
Found 44 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))
BDBM50000829
PNG
(6-((3-fluoro-5-(4-methoxytetrahydro-2H-pyran-4-yl)...)
Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2ccc3n(C)c(=O)ccc3c2)c1
Show InChI InChI=1S/C23H24FNO4/c1-25-21-5-3-16(11-17(21)4-6-22(25)26)15-29-20-13-18(12-19(24)14-20)23(27-2)7-9-28-10-8-23/h3-6,11-14H,7-10,15H2,1-2H3
PDB
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n/an/a 20n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of leukotriene B4 synthesis in human whole blood by inhibiting 5-lipoxygenase


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


(Homo sapiens (human))
BDBM50000847
PNG
(6-[3-(4-Methoxy-tetrahydro-pyran-4-yl)-phenoxymeth...)
Show SMILES COC1(CCOCC1)c1cccc(OCc2ccc3n(C)c(=O)ccc3c2)c1
Show InChI InChI=1S/C23H25NO4/c1-24-21-8-6-17(14-18(21)7-9-22(24)25)16-28-20-5-3-4-19(15-20)23(26-2)10-12-27-13-11-23/h3-9,14-15H,10-13,16H2,1-2H3
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n/an/a 30n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of leukotriene B4 synthesis in human whole blood by inhibiting 5-lipoxygenase


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


(Homo sapiens (human))
BDBM50000862
PNG
(6-[3-Fluoro-5-(4-methoxy-tetrahydro-pyran-4-yl)-ph...)
Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2ccc3n(C)c(=O)sc3c2)c1
Show InChI InChI=1S/C21H22FNO4S/c1-23-18-4-3-14(9-19(18)28-20(23)24)13-27-17-11-15(10-16(22)12-17)21(25-2)5-7-26-8-6-21/h3-4,9-12H,5-8,13H2,1-2H3
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ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of leukotriene B4 synthesis in human whole blood by inhibiting 5-lipoxygenase


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


(Homo sapiens (human))
BDBM50000835
PNG
(6-[3-Fluoro-5-(4-methoxy-tetrahydro-pyran-4-yl)-ph...)
Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2ccc3n(C)c(=O)cnc3c2)c1
Show InChI InChI=1S/C22H23FN2O4/c1-25-20-4-3-15(9-19(20)24-13-21(25)26)14-29-18-11-16(10-17(23)12-18)22(27-2)5-7-28-8-6-22/h3-4,9-13H,5-8,14H2,1-2H3
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ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of leukotriene B4 synthesis in human whole blood by inhibiting 5-lipoxygenase


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


(Homo sapiens (human))
BDBM50000845
PNG
(4-Methoxy-4-[3-(naphthalen-2-ylmethoxy)-phenyl]-te...)
Show SMILES COC1(CCOCC1)c1cccc(OCc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C23H24O3/c1-24-23(11-13-25-14-12-23)21-7-4-8-22(16-21)26-17-18-9-10-19-5-2-3-6-20(19)15-18/h2-10,15-16H,11-14,17H2,1H3
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n/an/a 70n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of leukotriene B4 synthesis in human whole blood by inhibiting 5-lipoxygenase


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


(Homo sapiens (human))
BDBM50000859
PNG
(4-Methoxy-4-[3-(3-phenyl-prop-2-ynyloxy)-phenyl]-t...)
Show SMILES COC1(CCOCC1)c1cccc(OCC#Cc2ccccc2)c1
Show InChI InChI=1S/C21H22O3/c1-22-21(12-15-23-16-13-21)19-10-5-11-20(17-19)24-14-6-9-18-7-3-2-4-8-18/h2-5,7-8,10-11,17H,12-16H2,1H3
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ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of leukotriene B4 synthesis in human whole blood by inhibiting 5-lipoxygenase


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


(Homo sapiens (human))
BDBM50000841
PNG
(5-[3-Fluoro-5-(4-methoxy-tetrahydro-pyran-4-yl)-ph...)
Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2ccc3n(C)c(=O)n(C)c3c2)c1
Show InChI InChI=1S/C22H25FN2O4/c1-24-19-5-4-15(10-20(19)25(2)21(24)26)14-29-18-12-16(11-17(23)13-18)22(27-3)6-8-28-9-7-22/h4-5,10-13H,6-9,14H2,1-3H3
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n/an/a 80n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of leukotriene B4 synthesis in human whole blood by inhibiting 5-lipoxygenase


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


(Homo sapiens (human))
BDBM50000850
PNG
(5-[3-Fluoro-5-(4-methoxy-tetrahydro-pyran-4-yl)-ph...)
Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2ccc3N(C)C(=O)C(C)(C)c3c2)c1
Show InChI InChI=1S/C24H28FNO4/c1-23(2)20-11-16(5-6-21(20)26(3)22(23)27)15-30-19-13-17(12-18(25)14-19)24(28-4)7-9-29-10-8-24/h5-6,11-14H,7-10,15H2,1-4H3
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ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of leukotriene B4 synthesis in human whole blood by inhibiting 5-lipoxygenase


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


(Homo sapiens (human))
BDBM50000854
PNG
(7-[3-(4-Methoxy-tetrahydro-pyran-4-yl)-phenoxymeth...)
Show SMILES COC1(CCOCC1)c1cccc(OCc2ccc3ccc(=O)n(C)c3c2)c1
Show InChI InChI=1S/C23H25NO4/c1-24-21-14-17(6-7-18(21)8-9-22(24)25)16-28-20-5-3-4-19(15-20)23(26-2)10-12-27-13-11-23/h3-9,14-15H,10-13,16H2,1-2H3
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n/an/a 200n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of leukotriene B4 synthesis in human whole blood by inhibiting 5-lipoxygenase


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


(Homo sapiens (human))
BDBM50000851
PNG
(6-[3-Fluoro-5-(4-methoxy-tetrahydro-pyran-4-yl)-ph...)
Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2ccc3n(C)c(=O)oc3c2)c1
Show InChI InChI=1S/C21H22FNO5/c1-23-18-4-3-14(9-19(18)28-20(23)24)13-27-17-11-15(10-16(22)12-17)21(25-2)5-7-26-8-6-21/h3-4,9-12H,5-8,13H2,1-2H3
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ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of leukotriene B4 synthesis in human whole blood by inhibiting 5-lipoxygenase


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


(Homo sapiens (human))
BDBM50000827
PNG
(6-[3-Fluoro-5-(4-methoxy-tetrahydro-pyran-4-yl)-ph...)
Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2ccc3ncncc3c2)c1
Show InChI InChI=1S/C21H21FN2O3/c1-25-21(4-6-26-7-5-21)17-9-18(22)11-19(10-17)27-13-15-2-3-20-16(8-15)12-23-14-24-20/h2-3,8-12,14H,4-7,13H2,1H3
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ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of leukotriene B4 synthesis in human whole blood by inhibiting 5-lipoxygenase


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


(Homo sapiens (human))
BDBM50000834
PNG
(3-[3-Fluoro-5-(4-methoxy-tetrahydro-pyran-4-yl)-ph...)
Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc3ccccc3[nH]c2=O)c1
Show InChI InChI=1S/C22H22FNO4/c1-26-22(6-8-27-9-7-22)17-11-18(23)13-19(12-17)28-14-16-10-15-4-2-3-5-20(15)24-21(16)25/h2-5,10-13H,6-9,14H2,1H3,(H,24,25)
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ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of leukotriene B4 synthesis in human whole blood by inhibiting 5-lipoxygenase


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


(Homo sapiens (human))
BDBM50000852
PNG
(4-Methoxy-4-[3-(naphthalen-2-ylmethoxy)-phenyl]-ox...)
Show SMILES COC1(CCCOCC1)c1cccc(OCc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C24H26O3/c1-25-24(12-5-14-26-15-13-24)22-8-4-9-23(17-22)27-18-19-10-11-20-6-2-3-7-21(20)16-19/h2-4,6-11,16-17H,5,12-15,18H2,1H3
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ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of leukotriene B4 synthesis in human whole blood by inhibiting 5-lipoxygenase


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


(Homo sapiens (human))
BDBM50000846
PNG
(6-[3-Fluoro-5-(4-methoxy-tetrahydro-pyran-4-yl)-ph...)
Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2ccc3c(ccn(C)c3=O)c2)c1
Show InChI InChI=1S/C23H24FNO4/c1-25-8-5-17-11-16(3-4-21(17)22(25)26)15-29-20-13-18(12-19(24)14-20)23(27-2)6-9-28-10-7-23/h3-5,8,11-14H,6-7,9-10,15H2,1-2H3
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ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of leukotriene B4 synthesis in human whole blood by inhibiting 5-lipoxygenase


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


(Homo sapiens (human))
BDBM50000824
PNG
(2-[3-Fluoro-5-(4-methoxy-tetrahydro-pyran-4-yl)-ph...)
Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2ncc3ccccc3n2)c1
Show InChI InChI=1S/C21H21FN2O3/c1-25-21(6-8-26-9-7-21)16-10-17(22)12-18(11-16)27-14-20-23-13-15-4-2-3-5-19(15)24-20/h2-5,10-13H,6-9,14H2,1H3
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ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of leukotriene B4 synthesis in human whole blood by inhibiting 5-lipoxygenase


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


(Homo sapiens (human))
BDBM50000828
PNG
(6-[3-Fluoro-5-(4-methoxy-tetrahydro-pyran-4-yl)-ph...)
Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2ccc3nccnc3c2)c1
Show InChI InChI=1S/C21H21FN2O3/c1-25-21(4-8-26-9-5-21)16-11-17(22)13-18(12-16)27-14-15-2-3-19-20(10-15)24-7-6-23-19/h2-3,6-7,10-13H,4-5,8-9,14H2,1H3
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ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of leukotriene B4 synthesis in human whole blood by inhibiting 5-lipoxygenase


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


(Homo sapiens (human))
BDBM50000833
PNG
(6-[3-Fluoro-5-(4-methoxy-tetrahydro-pyran-4-yl)-ph...)
Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2ccc3oc(=O)ccc3c2)c1
Show InChI InChI=1S/C22H21FO5/c1-25-22(6-8-26-9-7-22)17-11-18(23)13-19(12-17)27-14-15-2-4-20-16(10-15)3-5-21(24)28-20/h2-5,10-13H,6-9,14H2,1H3
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ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of leukotriene B4 synthesis in human whole blood by inhibiting 5-LPO (5-lipoxygenase)


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


(Homo sapiens (human))
BDBM50000822
PNG
(2-{3-[3-(4-Methoxy-tetrahydro-pyran-4-yl)-phenoxy]...)
Show SMILES COC1(CCOCC1)c1cccc(OCC#Cc2ccccn2)c1
Show InChI InChI=1S/C20H21NO3/c1-22-20(10-14-23-15-11-20)17-6-4-9-19(16-17)24-13-5-8-18-7-2-3-12-21-18/h2-4,6-7,9,12,16H,10-11,13-15H2,1H3
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ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of leukotriene B4 synthesis in human whole blood by inhibiting 5-lipoxygenase


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


(Homo sapiens (human))
BDBM50000860
PNG
(3-[3-Fluoro-5-(4-methoxy-tetrahydro-pyran-4-yl)-ph...)
Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc3ccccc3n(C)c2=O)c1
Show InChI InChI=1S/C23H24FNO4/c1-25-21-6-4-3-5-16(21)11-17(22(25)26)15-29-20-13-18(12-19(24)14-20)23(27-2)7-9-28-10-8-23/h3-6,11-14H,7-10,15H2,1-2H3
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ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of leukotriene B4 synthesis in human whole blood by inhibiting 5-lipoxygenase


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


(Homo sapiens (human))
BDBM50000858
PNG
(4-Methoxy-4-[3-(naphthalen-2-ylmethoxy)-phenyl]-te...)
Show SMILES COC1(CCSCC1)c1cccc(OCc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C23H24O2S/c1-24-23(11-13-26-14-12-23)21-7-4-8-22(16-21)25-17-18-9-10-19-5-2-3-6-20(19)15-18/h2-10,15-16H,11-14,17H2,1H3
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ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of leukotriene B4 synthesis in human whole blood by inhibiting 5-lipoxygenase


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


(Homo sapiens (human))
BDBM50000857
PNG
(2-(1-methoxy-1-(3-(naphthalen-2-ylmethoxy)phenyl)p...)
Show SMILES CCC(OC)(c1nccs1)c1cccc(OCc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C24H23NO2S/c1-3-24(26-2,23-25-13-14-28-23)21-9-6-10-22(16-21)27-17-18-11-12-19-7-4-5-8-20(19)15-18/h4-16H,3,17H2,1-2H3
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ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of leukotriene B4 synthesis in human whole blood by inhibiting 5-lipoxygenase


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


(Homo sapiens (human))
BDBM50000823
PNG
(2-{1-Methoxy-1-[2-methyl-3-(naphthalen-2-ylmethoxy...)
Show SMILES COC(C)(c1nccs1)c1cccc(OCc2ccc3ccccc3c2)c1C
Show InChI InChI=1S/C24H23NO2S/c1-17-21(24(2,26-3)23-25-13-14-28-23)9-6-10-22(17)27-16-18-11-12-19-7-4-5-8-20(19)15-18/h4-15H,16H2,1-3H3
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n/an/a 500n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of leukotriene B4 synthesis in human whole blood by inhibiting 5-lipoxygenase


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


(Homo sapiens (human))
BDBM50000832
PNG
(2-{1-Methoxy-1-[3-(naphthalen-2-ylmethoxy)-phenyl]...)
Show SMILES COC(C)(c1nccs1)c1cccc(OCc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C23H21NO2S/c1-23(25-2,22-24-12-13-27-22)20-8-5-9-21(15-20)26-16-17-10-11-18-6-3-4-7-19(18)14-17/h3-15H,16H2,1-2H3
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n/an/a 500n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of leukotriene B4 synthesis in human whole blood by inhibiting 5-lipoxygenase


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


(Homo sapiens (human))
BDBM50000855
PNG
(6-((3-fluoro-5-(1-methoxycyclohexyl)phenoxy)methyl...)
Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2ccc3[nH]c(=O)ccc3c2)c1
Show InChI InChI=1S/C22H22FNO4/c1-26-22(6-8-27-9-7-22)17-11-18(23)13-19(12-17)28-14-15-2-4-20-16(10-15)3-5-21(25)24-20/h2-5,10-13H,6-9,14H2,1H3,(H,24,25)
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n/an/a 600n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of leukotriene B4 synthesis in human whole blood by inhibiting 5-lipoxygenase


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


(Homo sapiens (human))
BDBM50000853
PNG
(4-Methoxy-4-[2-methyl-3-(naphthalen-2-ylmethoxy)-p...)
Show SMILES COC1(CCOCC1)c1cccc(OCc2ccc3ccccc3c2)c1C
Show InChI InChI=1S/C24H26O3/c1-18-22(24(25-2)12-14-26-15-13-24)8-5-9-23(18)27-17-19-10-11-20-6-3-4-7-21(20)16-19/h3-11,16H,12-15,17H2,1-2H3
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n/an/a 600n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of leukotriene B4 synthesis in human whole blood by inhibiting 5-lipoxygenase


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


(Homo sapiens (human))
BDBM50000825
PNG
(3-Methoxy-3-[3-(naphthalen-2-ylmethoxy)-phenyl]-te...)
Show SMILES COC1(CCOC1)c1cccc(OCc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C22H22O3/c1-23-22(11-12-24-16-22)20-7-4-8-21(14-20)25-15-17-9-10-18-5-2-3-6-19(18)13-17/h2-10,13-14H,11-12,15-16H2,1H3
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n/an/a 700n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of leukotriene B4 synthesis in human whole blood by inhibiting 5-lipoxygenase


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


(Homo sapiens (human))
BDBM50000831
PNG
(2-{1-Methoxy-1-[3-(3-phenyl-prop-2-ynyloxy)-phenyl...)
Show SMILES CCC(OC)(c1nccs1)c1cccc(OCC#Cc2ccccc2)c1
Show InChI InChI=1S/C22H21NO2S/c1-3-22(24-2,21-23-14-16-26-21)19-12-7-13-20(17-19)25-15-8-11-18-9-5-4-6-10-18/h4-7,9-10,12-14,16-17H,3,15H2,1-2H3
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n/an/a 900n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of leukotriene B4 synthesis in human whole blood by inhibiting 5-lipoxygenase


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


(Homo sapiens (human))
BDBM50000831
PNG
(2-{1-Methoxy-1-[3-(3-phenyl-prop-2-ynyloxy)-phenyl...)
Show SMILES CCC(OC)(c1nccs1)c1cccc(OCC#Cc2ccccc2)c1
Show InChI InChI=1S/C22H21NO2S/c1-3-22(24-2,21-23-14-16-26-21)19-12-7-13-20(17-19)25-15-8-11-18-9-5-4-6-10-18/h4-7,9-10,12-14,16-17H,3,15H2,1-2H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of leukotriene B4 synthesis in human whole blood by inhibiting 5-lipoxygenase


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


(Homo sapiens (human))
BDBM50000838
PNG
(CHEMBL416657 | Sodium; 3-[3-tert-butylsulfanyl-1-(...)
Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C([O-])=O)c(SC(C)(C)C)c2c1
Show InChI InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31)/p-1
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n/an/a 1.10E+3n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of leukotriene B4 synthesis in human whole blood by inhibiting 5-LPO (5-lipoxygenase)


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


(Homo sapiens (human))
BDBM50000844
PNG
(5-[3-(4-Methoxy-tetrahydro-pyran-4-yl)-phenoxymeth...)
Show SMILES COC1(CCOCC1)c1cccc(OCc2cccc3n(C)c(=O)ccc23)c1
Show InChI InChI=1S/C23H25NO4/c1-24-21-8-3-5-17(20(21)9-10-22(24)25)16-28-19-7-4-6-18(15-19)23(26-2)11-13-27-14-12-23/h3-10,15H,11-14,16H2,1-2H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of leukotriene B4 synthesis in human whole blood by inhibiting 5-lipoxygenase


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


(Homo sapiens (human))
BDBM50000840
PNG
(3-Methoxy-3-[3-(naphthalen-2-ylmethoxy)-phenyl]-te...)
Show SMILES COC1(CCCOC1)c1cccc(OCc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C23H24O3/c1-24-23(12-5-13-25-17-23)21-8-4-9-22(15-21)26-16-18-10-11-19-6-2-3-7-20(19)14-18/h2-4,6-11,14-15H,5,12-13,16-17H2,1H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of leukotriene B4 synthesis in human whole blood by inhibiting 5-lipoxygenase


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


(Homo sapiens (human))
BDBM50000842
PNG
(3-Methoxy-3-[3-(naphthalen-2-ylmethoxy)-phenyl]-ox...)
Show SMILES COC1(COC1)c1cccc(OCc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C21H20O3/c1-22-21(14-23-15-21)19-7-4-8-20(12-19)24-13-16-9-10-17-5-2-3-6-18(17)11-16/h2-12H,13-15H2,1H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of leukotriene B4 synthesis in human whole blood by inhibiting 5-lipoxygenase


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


(Homo sapiens (human))
BDBM50000836
PNG
(3-Methoxy-3-[3-(naphthalen-2-ylmethoxy)-phenyl]-ox...)
Show SMILES COC1(CCCCOC1)c1cccc(OCc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C24H26O3/c1-25-24(13-4-5-14-26-18-24)22-9-6-10-23(16-22)27-17-19-11-12-20-7-2-3-8-21(20)15-19/h2-3,6-12,15-16H,4-5,13-14,17-18H2,1H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of leukotriene B4 synthesis in human whole blood by inhibiting 5-lipoxygenase


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


(Homo sapiens (human))
BDBM50000821
PNG
(2-[3-(1-Methoxy-cyclohexyl)-phenoxymethyl]-naphtha...)
Show SMILES COC1(CCCCC1)c1cccc(OCc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C24H26O2/c1-25-24(14-5-2-6-15-24)22-10-7-11-23(17-22)26-18-19-12-13-20-8-3-4-9-21(20)16-19/h3-4,7-13,16-17H,2,5-6,14-15,18H2,1H3
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n/an/a 2.60E+3n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of leukotriene B4 synthesis in human whole blood by inhibiting 5-lipoxygenase


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


(Homo sapiens (human))
BDBM50000541
PNG
((+-)-1-(1-Benzo[b]thien-2-ylethyl)-1-hydroxyurea |...)
Show SMILES CC(N(O)C(N)=O)c1cc2ccccc2s1
Show InChI InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)
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n/an/a 2.60E+3n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of leukotriene B4 synthesis in human whole blood by inhibiting 5-lipoxygenase


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


(Homo sapiens (human))
BDBM50000848
PNG
(4-Methoxy-4-[3-(naphthalen-2-ylmethoxy)-phenyl]-cy...)
Show SMILES COC1(CCC(=O)CC1)c1cccc(OCc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C24H24O3/c1-26-24(13-11-22(25)12-14-24)21-7-4-8-23(16-21)27-17-18-9-10-19-5-2-3-6-20(19)15-18/h2-10,15-16H,11-14,17H2,1H3
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n/an/a 3.40E+3n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of leukotriene B4 synthesis in human whole blood by inhibiting 5-lipoxygenase


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


(Homo sapiens (human))
BDBM50000861
PNG
(4-Methoxy-4-[3-(naphthalen-2-ylmethoxy)-phenyl]-te...)
Show SMILES COC1(CCS(=O)CC1)c1cccc(OCc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C23H24O3S/c1-25-23(11-13-27(24)14-12-23)21-7-4-8-22(16-21)26-17-18-9-10-19-5-2-3-6-20(19)15-18/h2-10,15-16H,11-14,17H2,1H3
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n/an/a 4.20E+3n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of leukotriene B4 synthesis in human whole blood by inhibiting 5-lipoxygenase


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


(Homo sapiens (human))
BDBM50000856
PNG
(4-Methoxy-4-[3-(naphthalen-2-ylmethoxy)-phenyl]-te...)
Show SMILES COC1(CCS(=O)(=O)CC1)c1cccc(OCc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C23H24O4S/c1-26-23(11-13-28(24,25)14-12-23)21-7-4-8-22(16-21)27-17-18-9-10-19-5-2-3-6-20(19)15-18/h2-10,15-16H,11-14,17H2,1H3
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n/an/a 1.06E+4n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of leukotriene B4 synthesis in human whole blood by inhibiting 5-lipoxygenase


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


(Homo sapiens (human))
BDBM50000830
PNG
(4-Methoxy-4-[4-(naphthalen-2-ylmethoxy)-phenyl]-te...)
Show SMILES COC1(CCOCC1)c1ccc(OCc2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C23H24O3/c1-24-23(12-14-25-15-13-23)21-8-10-22(11-9-21)26-17-18-6-7-19-4-2-3-5-20(19)16-18/h2-11,16H,12-15,17H2,1H3
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n/an/a 1.90E+4n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of leukotriene B4 synthesis in human whole blood by inhibiting 5-lipoxygenase


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


(Homo sapiens (human))
BDBM50000849
PNG
(6-[3-Fluoro-5-(4-methoxy-tetrahydro-pyran-4-yl)-ph...)
Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2ccc3n(C)ccc(=O)c3c2)c1
Show InChI InChI=1S/C23H24FNO4/c1-25-8-5-22(26)20-11-16(3-4-21(20)25)15-29-19-13-17(12-18(24)14-19)23(27-2)6-9-28-10-7-23/h3-5,8,11-14H,6-7,9-10,15H2,1-2H3
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n/an/a 3.00E+4n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of leukotriene B4 synthesis in human whole blood by inhibiting 5-lipoxygenase


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


(Homo sapiens (human))
BDBM50000826
PNG
(2-{1-Methoxy-1-[2-methyl-5-(naphthalen-2-ylmethoxy...)
Show SMILES COC(C)(c1nccs1)c1cc(OCc2ccc3ccccc3c2)ccc1C
Show InChI InChI=1S/C24H23NO2S/c1-17-8-11-21(15-22(17)24(2,26-3)23-25-12-13-28-23)27-16-18-9-10-19-6-4-5-7-20(19)14-18/h4-15H,16H2,1-3H3
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n/an/a 4.00E+4n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of leukotriene B4 synthesis in human whole blood by inhibiting 5-lipoxygenase


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


(Homo sapiens (human))
BDBM50000843
PNG
(2-{1-Methoxy-1-[4-(naphthalen-2-ylmethoxy)-phenyl]...)
Show SMILES CCC(OC)(c1nccs1)c1ccc(OCc2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C24H23NO2S/c1-3-24(26-2,23-25-14-15-28-23)21-10-12-22(13-11-21)27-17-18-8-9-19-6-4-5-7-20(19)16-18/h4-16H,3,17H2,1-2H3
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n/an/a 4.00E+4n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of leukotriene B4 synthesis in human whole blood by inhibiting 5-lipoxygenase


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


(Homo sapiens (human))
BDBM50000837
PNG
(4-Methoxy-1-methyl-4-[3-(naphthalen-2-ylmethoxy)-p...)
Show SMILES COC1(CCN(C)CC1)c1cccc(OCc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C24H27NO2/c1-25-14-12-24(26-2,13-15-25)22-8-5-9-23(17-22)27-18-19-10-11-20-6-3-4-7-21(20)16-19/h3-11,16-17H,12-15,18H2,1-2H3
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n/an/a>4.00E+4n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of leukotriene B4 synthesis in human whole blood by inhibiting 5-lipoxygenase


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


(Homo sapiens (human))
BDBM50000839
PNG
(4-Methoxy-4-[2-methyl-5-(naphthalen-2-ylmethoxy)-p...)
Show SMILES COC1(CCOCC1)c1cc(OCc2ccc3ccccc3c2)ccc1C
Show InChI InChI=1S/C24H26O3/c1-18-7-10-22(16-23(18)24(25-2)11-13-26-14-12-24)27-17-19-8-9-20-5-3-4-6-21(20)15-19/h3-10,15-16H,11-14,17H2,1-2H3
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UniChem

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PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of leukotriene B4 synthesis in human whole blood by inhibiting 5-lipoxygenase


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