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Compile Data Set for Download or QSAR

Found 319 hits with Last Name = 'bruneau' and Initial = 'p'   
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
Relaxin receptor 1


(Homo sapiens (Human))		BDBM50563230
PNG
(CHEMBL4754949)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@H](CSCCSC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc3cnc[nH]3)NC2=O)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC(CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC1=O)C(C)C)[C@@H](C)CC)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(O)=O)C(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(C)C |r|
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 1.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of Eu3+-labelled H2 relaxin from human RXFP1 expressed in human HEK-293T cells in presence of 10 % FCS by competition binding assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01533
BindingDB Entry DOI: 10.7270/Q2XW4PHG
More data for this
Ligand-Target Pair
Relaxin receptor 1


(Homo sapiens (Human))		BDBM50563231
PNG
(CHEMBL4780098)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)[C@@H](C)CC)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
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 2.88E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of Eu3+-labelled H2 relaxin from human RXFP1 expressed in human HEK-293T cells in presence of 10 % FCS by competition binding assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01533
BindingDB Entry DOI: 10.7270/Q2XW4PHG
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Mus musculus)		BDBM50043670
PNG
(2-{(S)-1-[3-Fluoro-5-(naphthalen-2-ylmethoxy)-phen...)
Show SMILES CC[C@@](OC)(c1nccs1)c1cc(F)cc(OCc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C24H22FNO2S/c1-3-24(27-2,23-26-10-11-29-23)20-13-21(25)15-22(14-20)28-16-17-8-9-18-6-4-5-7-19(18)12-17/h4-15H,3,16H2,1-2H3/t24-/m0/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase from mouse macrophage

J Med Chem 37: 113-24 (1994)


BindingDB Entry DOI: 10.7270/Q2JW8CZP
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Mus musculus)		BDBM50043682
PNG
((R)-2-[3-Fluoro-5-(naphthalen-2-ylmethoxy)-phenyl]...)
Show SMILES CC[C@](OC)(C(=O)OC)c1cc(F)cc(OCc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C23H23FO4/c1-4-23(27-3,22(25)26-2)19-12-20(24)14-21(13-19)28-15-16-9-10-17-7-5-6-8-18(17)11-16/h5-14H,4,15H2,1-3H3/t23-/m1/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase from mouse macrophage

J Med Chem 37: 113-24 (1994)


BindingDB Entry DOI: 10.7270/Q2JW8CZP
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Mus musculus)		BDBM50043669
PNG
(6-[3-Fluoro-5-((S)-1-methoxy-1-thiazol-2-yl-propyl...)
Show SMILES CC[C@@](OC)(c1nccs1)c1cc(F)cc(OCc2ccc3n(C)c(=O)ccc3c2)c1
Show InChI InChI=1S/C24H23FN2O3S/c1-4-24(29-3,23-26-9-10-31-23)18-12-19(25)14-20(13-18)30-15-16-5-7-21-17(11-16)6-8-22(28)27(21)2/h5-14H,4,15H2,1-3H3/t24-/m0/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase from mouse macrophage

J Med Chem 37: 113-24 (1994)


BindingDB Entry DOI: 10.7270/Q2JW8CZP
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Mus musculus)		BDBM50043677
PNG
((S)-2-[3-Fluoro-5-(naphthalen-2-ylmethoxy)-phenyl]...)
Show SMILES CC[C@@](OC)(C(=O)OC)c1cc(F)cc(OCc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C23H23FO4/c1-4-23(27-3,22(25)26-2)19-12-20(24)14-21(13-19)28-15-16-9-10-17-7-5-6-8-18(17)11-16/h5-14H,4,15H2,1-3H3/t23-/m0/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase from mouse macrophage

J Med Chem 37: 113-24 (1994)


BindingDB Entry DOI: 10.7270/Q2JW8CZP
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Mus musculus)		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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ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in mouse macrophages.

J Med Chem 34: 2176-86 (1991)


BindingDB Entry DOI: 10.7270/Q2S46QX6
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Mus musculus)		BDBM50007052
PNG
(1-[3-(3-Phenyl-allyloxy)-phenyl]-1-thiazol-2-yl-pr...)
Show SMILES CCC(O)(c1nccs1)c1cccc(OC\C=C\c2ccccc2)c1
Show InChI InChI=1S/C21H21NO2S/c1-2-21(23,20-22-13-15-25-20)18-11-6-12-19(16-18)24-14-7-10-17-8-4-3-5-9-17/h3-13,15-16,23H,2,14H2,1H3/b10-7+
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ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in mouse macrophages.

J Med Chem 34: 2176-86 (1991)


BindingDB Entry DOI: 10.7270/Q2S46QX6
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Mus musculus)		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
Inhibition of 5-lipoxygenase in mouse macrophages.

J Med Chem 34: 2176-86 (1991)


BindingDB Entry DOI: 10.7270/Q2S46QX6
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Mus musculus)		BDBM50043666
PNG
((R)-2-[3-Fluoro-5-(1-methyl-2-oxo-1,2-dihydro-quin...)
Show SMILES CC[C@](OC)(C(=O)OC)c1cc(F)cc(OCc2ccc3n(C)c(=O)ccc3c2)c1
Show InChI InChI=1S/C23H24FNO5/c1-5-23(29-4,22(27)28-3)17-11-18(24)13-19(12-17)30-14-15-6-8-20-16(10-15)7-9-21(26)25(20)2/h6-13H,5,14H2,1-4H3/t23-/m1/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase from mouse macrophage

J Med Chem 37: 113-24 (1994)


BindingDB Entry DOI: 10.7270/Q2JW8CZP
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Mus musculus)		BDBM50043678
PNG
((S)-2-[3-Fluoro-5-(1-methyl-2-oxo-1,2-dihydro-quin...)
Show SMILES CC[C@@](OC)(C(=O)OC)c1cc(F)cc(OCc2ccc3n(C)c(=O)ccc3c2)c1
Show InChI InChI=1S/C23H24FNO5/c1-5-23(29-4,22(27)28-3)17-11-18(24)13-19(12-17)30-14-15-6-8-20-16(10-15)7-9-21(26)25(20)2/h6-13H,5,14H2,1-4H3/t23-/m0/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase from mouse macrophage

J Med Chem 37: 113-24 (1994)


BindingDB Entry DOI: 10.7270/Q2JW8CZP
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Mus musculus)		BDBM50007040
PNG
(2-[1-Methoxy-6-(naphthalen-2-ylmethoxy)-indan-1-yl...)
Show SMILES COC1(CCc2ccc(OCc3ccc4ccccc4c3)cc12)c1nccs1
Show InChI InChI=1S/C24H21NO2S/c1-26-24(23-25-12-13-28-23)11-10-19-8-9-21(15-22(19)24)27-16-17-6-7-18-4-2-3-5-20(18)14-17/h2-9,12-15H,10-11,16H2,1H3
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ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in mouse macrophages.

J Med Chem 34: 2176-86 (1991)


BindingDB Entry DOI: 10.7270/Q2S46QX6
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Mus musculus)		BDBM50007040
PNG
(2-[1-Methoxy-6-(naphthalen-2-ylmethoxy)-indan-1-yl...)
Show SMILES COC1(CCc2ccc(OCc3ccc4ccccc4c3)cc12)c1nccs1
Show InChI InChI=1S/C24H21NO2S/c1-26-24(23-25-12-13-28-23)11-10-19-8-9-21(15-22(19)24)27-16-17-6-7-18-4-2-3-5-20(18)14-17/h2-9,12-15H,10-11,16H2,1H3
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ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of 5-lipoxygenase (5-LPO) in rat basophilic leukemia (RBL) cells.

J Med Chem 34: 2176-86 (1991)


BindingDB Entry DOI: 10.7270/Q2S46QX6
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(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
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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

J Med Chem 35: 2600-9 (1992)


BindingDB Entry DOI: 10.7270/Q2Q240VJ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(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
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Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase from human whole blood

J Med Chem 37: 113-24 (1994)


BindingDB Entry DOI: 10.7270/Q2JW8CZP
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(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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ICI Pharmaceuticals

Curated by ChEMBL


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

J Med Chem 35: 2600-9 (1992)


BindingDB Entry DOI: 10.7270/Q2Q240VJ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Mus musculus)		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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ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in mouse macrophages.

J Med Chem 34: 2176-86 (1991)


BindingDB Entry DOI: 10.7270/Q2S46QX6
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Mus musculus)		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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ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in mouse macrophages.

J Med Chem 34: 2176-86 (1991)


BindingDB Entry DOI: 10.7270/Q2S46QX6
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Mus musculus)		BDBM50007040
PNG
(2-[1-Methoxy-6-(naphthalen-2-ylmethoxy)-indan-1-yl...)
Show SMILES COC1(CCc2ccc(OCc3ccc4ccccc4c3)cc12)c1nccs1
Show InChI InChI=1S/C24H21NO2S/c1-26-24(23-25-12-13-28-23)11-10-19-8-9-21(15-22(19)24)27-16-17-6-7-18-4-2-3-5-20(18)14-17/h2-9,12-15H,10-11,16H2,1H3
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ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in mouse macrophages.

J Med Chem 34: 2176-86 (1991)


BindingDB Entry DOI: 10.7270/Q2S46QX6
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Mus musculus)		BDBM50007057
PNG
(1-[3-(3-Phenyl-prop-2-ynyloxy)-phenyl]-1-thiazol-2...)
Show SMILES CCC(O)(c1nccs1)c1cccc(OCC#Cc2ccccc2)c1
Show InChI InChI=1S/C21H19NO2S/c1-2-21(23,20-22-13-15-25-20)18-11-6-12-19(16-18)24-14-7-10-17-8-4-3-5-9-17/h3-6,8-9,11-13,15-16,23H,2,14H2,1H3
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ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in mouse macrophages.

J Med Chem 34: 2176-86 (1991)


BindingDB Entry DOI: 10.7270/Q2S46QX6
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(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

J Med Chem 35: 2600-9 (1992)


BindingDB Entry DOI: 10.7270/Q2Q240VJ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Mus musculus)		BDBM50043676
PNG
(6-[3-Fluoro-5-((S)-1-methoxy-1-methoxymethyl-propy...)
Show SMILES CC[C@](COC)(OC)c1cc(F)cc(OCc2ccc3n(C)c(=O)ccc3c2)c1
Show InChI InChI=1S/C23H26FNO4/c1-5-23(28-4,15-27-3)18-11-19(24)13-20(12-18)29-14-16-6-8-21-17(10-16)7-9-22(26)25(21)2/h6-13H,5,14-15H2,1-4H3/t23-/m1/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase from mouse macrophage

J Med Chem 37: 113-24 (1994)


BindingDB Entry DOI: 10.7270/Q2JW8CZP
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Mus musculus)		BDBM50043671
PNG
(6-[3-Fluoro-5-((R)-1-methoxy-1-methoxymethyl-propy...)
Show SMILES CC[C@@](COC)(OC)c1cc(F)cc(OCc2ccc3n(C)c(=O)ccc3c2)c1
Show InChI InChI=1S/C23H26FNO4/c1-5-23(28-4,15-27-3)18-11-19(24)13-20(12-18)29-14-16-6-8-21-17(10-16)7-9-22(26)25(21)2/h6-13H,5,14-15H2,1-4H3/t23-/m0/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase from mouse macrophage

J Med Chem 37: 113-24 (1994)


BindingDB Entry DOI: 10.7270/Q2JW8CZP
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(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

J Med Chem 35: 2600-9 (1992)


BindingDB Entry DOI: 10.7270/Q2Q240VJ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50407160
PNG
(CHEMBL2092747)
Show SMILES CC[C@]1(CCO[C@H](C)C1)c1cc(F)cc(OCc2ccc3n(C)c(=O)ccc3c2)c1 |r|
Show InChI InChI=1S/C25H28FNO3/c1-4-25(9-10-29-17(2)15-25)20-12-21(26)14-22(13-20)30-16-18-5-7-23-19(11-18)6-8-24(28)27(23)3/h5-8,11-14,17H,4,9-10,15-16H2,1-3H3/t17-,25-/m1/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase from human whole blood

J Med Chem 37: 113-24 (1994)


BindingDB Entry DOI: 10.7270/Q2JW8CZP
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50043676
PNG
(6-[3-Fluoro-5-((S)-1-methoxy-1-methoxymethyl-propy...)
Show SMILES CC[C@](COC)(OC)c1cc(F)cc(OCc2ccc3n(C)c(=O)ccc3c2)c1
Show InChI InChI=1S/C23H26FNO4/c1-5-23(28-4,15-27-3)18-11-19(24)13-20(12-18)29-14-16-6-8-21-17(10-16)7-9-22(26)25(21)2/h6-13H,5,14-15H2,1-4H3/t23-/m1/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibitory concentration against 5-lipoxygenase from human whole blood

J Med Chem 37: 113-24 (1994)


BindingDB Entry DOI: 10.7270/Q2JW8CZP
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50043681
PNG
(4-[3-(1-Methyl-2-oxo-1,2-dihydro-quinolin-6-ylmeth...)
Show SMILES CCOC(=O)C1(CCOCC1)c1cccc(OCc2ccc3n(C)c(=O)ccc3c2)c1
Show InChI InChI=1S/C25H27NO5/c1-3-30-24(28)25(11-13-29-14-12-25)20-5-4-6-21(16-20)31-17-18-7-9-22-19(15-18)8-10-23(27)26(22)2/h4-10,15-16H,3,11-14,17H2,1-2H3
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase from human whole blood

J Med Chem 37: 113-24 (1994)


BindingDB Entry DOI: 10.7270/Q2JW8CZP
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(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

J Med Chem 35: 2600-9 (1992)


BindingDB Entry DOI: 10.7270/Q2Q240VJ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(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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ICI Pharmaceuticals

Curated by ChEMBL


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

J Med Chem 35: 2600-9 (1992)


BindingDB Entry DOI: 10.7270/Q2Q240VJ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(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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ICI Pharmaceuticals

Curated by ChEMBL


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

J Med Chem 35: 2600-9 (1992)


BindingDB Entry DOI: 10.7270/Q2Q240VJ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Mus musculus)		BDBM50007051
PNG
(1-[3-(Naphthalen-2-ylmethoxy)-phenyl]-1-thiazol-2-...)
Show SMILES CCCC(O)(c1nccs1)c1cccc(OCc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C24H23NO2S/c1-2-12-24(26,23-25-13-14-28-23)21-8-5-9-22(16-21)27-17-18-10-11-19-6-3-4-7-20(19)15-18/h3-11,13-16,26H,2,12,17H2,1H3
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ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in mouse macrophages.

J Med Chem 34: 2176-86 (1991)


BindingDB Entry DOI: 10.7270/Q2S46QX6
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(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

J Med Chem 35: 2600-9 (1992)


BindingDB Entry DOI: 10.7270/Q2Q240VJ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(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
Compound was tested for the inhibition of 5-lipoxygenase (5-Lpo) in guinea pig.

J Med Chem 34: 2176-86 (1991)


BindingDB Entry DOI: 10.7270/Q2S46QX6
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50043665
PNG
(6-[3-(4-Acetyl-tetrahydro-pyran-4-yl)-phenoxymethy...)
Show SMILES CC(=O)C1(CCOCC1)c1cccc(OCc2ccc3n(C)c(=O)ccc3c2)c1
Show InChI InChI=1S/C24H25NO4/c1-17(26)24(10-12-28-13-11-24)20-4-3-5-21(15-20)29-16-18-6-8-22-19(14-18)7-9-23(27)25(22)2/h3-9,14-15H,10-13,16H2,1-2H3
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase from human whole blood

J Med Chem 37: 113-24 (1994)


BindingDB Entry DOI: 10.7270/Q2JW8CZP
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50043666
PNG
((R)-2-[3-Fluoro-5-(1-methyl-2-oxo-1,2-dihydro-quin...)
Show SMILES CC[C@](OC)(C(=O)OC)c1cc(F)cc(OCc2ccc3n(C)c(=O)ccc3c2)c1
Show InChI InChI=1S/C23H24FNO5/c1-5-23(29-4,22(27)28-3)17-11-18(24)13-19(12-17)30-14-15-6-8-20-16(10-15)7-9-21(26)25(20)2/h6-13H,5,14H2,1-4H3/t23-/m1/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibitory concentration against 5-lipoxygenase from human whole blood

J Med Chem 37: 113-24 (1994)


BindingDB Entry DOI: 10.7270/Q2JW8CZP
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50043668
PNG
(6-[3-(4-Ethyl-tetrahydro-pyran-4-yl)-phenoxymethyl...)
Show SMILES CCC1(CCOCC1)c1cccc(OCc2ccc3n(C)c(=O)ccc3c2)c1
Show InChI InChI=1S/C24H27NO3/c1-3-24(11-13-27-14-12-24)20-5-4-6-21(16-20)28-17-18-7-9-22-19(15-18)8-10-23(26)25(22)2/h4-10,15-16H,3,11-14,17H2,1-2H3
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase from human whole blood

J Med Chem 37: 113-24 (1994)


BindingDB Entry DOI: 10.7270/Q2JW8CZP
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50043683
PNG
(6-[3-(4-Methoxymethyl-tetrahydro-pyran-4-yl)-pheno...)
Show SMILES COCC1(CCOCC1)c1cccc(OCc2ccc3n(C)c(=O)ccc3c2)c1
Show InChI InChI=1S/C24H27NO4/c1-25-22-8-6-18(14-19(22)7-9-23(25)26)16-29-21-5-3-4-20(15-21)24(17-27-2)10-12-28-13-11-24/h3-9,14-15H,10-13,16-17H2,1-2H3
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase from human whole blood

J Med Chem 37: 113-24 (1994)


BindingDB Entry DOI: 10.7270/Q2JW8CZP
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50009002
PNG
(2-Methyl-1,2-dihydro-indazol-3-one | CHEMBL3144583)
Show SMILES Cn1[nH]c2ccccc2c1=O
Show InChI InChI=1S/C8H8N2O/c1-10-8(11)6-4-2-3-5-7(6)9-10/h2-5,9H,1H3
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ICI Pharma

Curated by ChEMBL


Assay Description
In vitro inhibition of LTB4 (LT) production in dog blood

J Med Chem 34: 1028-36 (1991)


BindingDB Entry DOI: 10.7270/Q28G8MXH
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(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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ICI Pharmaceuticals

Curated by ChEMBL


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

J Med Chem 35: 2600-9 (1992)


BindingDB Entry DOI: 10.7270/Q2Q240VJ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(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

J Med Chem 35: 2600-9 (1992)


BindingDB Entry DOI: 10.7270/Q2Q240VJ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(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

J Med Chem 35: 2600-9 (1992)


BindingDB Entry DOI: 10.7270/Q2Q240VJ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(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

J Med Chem 35: 2600-9 (1992)


BindingDB Entry DOI: 10.7270/Q2Q240VJ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(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

J Med Chem 35: 2600-9 (1992)


BindingDB Entry DOI: 10.7270/Q2Q240VJ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(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

J Med Chem 35: 2600-9 (1992)


BindingDB Entry DOI: 10.7270/Q2Q240VJ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(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

J Med Chem 35: 2600-9 (1992)


BindingDB Entry DOI: 10.7270/Q2Q240VJ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Mus musculus)		BDBM50043672
PNG
(6-[3-Fluoro-5-((R)-1-methoxy-1-thiazol-2-yl-propyl...)
Show SMILES CC[C@](OC)(c1nccs1)c1cc(F)cc(OCc2ccc3n(C)c(=O)ccc3c2)c1
Show InChI InChI=1S/C24H23FN2O3S/c1-4-24(29-3,23-26-9-10-31-23)18-12-19(25)14-20(13-18)30-15-16-5-7-21-17(11-16)6-8-22(28)27(21)2/h5-14H,4,15H2,1-3H3/t24-/m1/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase from mouse macrophage

J Med Chem 37: 113-24 (1994)


BindingDB Entry DOI: 10.7270/Q2JW8CZP
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50043682
PNG
((R)-2-[3-Fluoro-5-(naphthalen-2-ylmethoxy)-phenyl]...)
Show SMILES CC[C@](OC)(C(=O)OC)c1cc(F)cc(OCc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C23H23FO4/c1-4-23(27-3,22(25)26-2)19-12-20(24)14-21(13-19)28-15-16-9-10-17-7-5-6-8-18(17)11-16/h5-14H,4,15H2,1-3H3/t23-/m1/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibitory concentration against 5-lipoxygenase from human whole blood

J Med Chem 37: 113-24 (1994)


BindingDB Entry DOI: 10.7270/Q2JW8CZP
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50009008
PNG
(2-Furan-2-ylmethyl-1,2-dihydro-indazol-3-one | CHE...)
Show SMILES O=c1n(Cc2ccco2)[nH]c2ccccc12
Show InChI InChI=1S/C12H10N2O2/c15-12-10-5-1-2-6-11(10)13-14(12)8-9-4-3-7-16-9/h1-7,13H,8H2
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ICI Pharma

Curated by ChEMBL


Assay Description
In vitro inhibition of LTB4 production was measured in rat blood

J Med Chem 34: 1028-36 (1991)


BindingDB Entry DOI: 10.7270/Q28G8MXH
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(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)

J Med Chem 35: 2600-9 (1992)


BindingDB Entry DOI: 10.7270/Q2Q240VJ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(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

J Med Chem 35: 2600-9 (1992)


BindingDB Entry DOI: 10.7270/Q2Q240VJ
More data for this
Ligand-Target Pair
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