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Compile Data Set for Download or QSAR

Found 46 hits with Last Name = 'williams' and Initial = 'hw'   
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
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50016991
PNG
(7-Fluoro-2-(4-methoxy-benzyl)-3-methyl-5-propyl-be...)
Show SMILES CCCc1cc(F)c2oc(Cc3ccc(OC)cc3)c(C)c2c1O
Show InChI InChI=1S/C20H21FO3/c1-4-5-14-11-16(21)20-18(19(14)22)12(2)17(24-20)10-13-6-8-15(23-3)9-7-13/h6-9,11,22H,4-5,10H2,1-3H3
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n/an/a 7n/an/an/an/an/an/a



Merck Frosst Canada Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50 % inhibition of leukotriene B4 production in human PMN compared with controls in the absence of compound


J Med Chem 32: 1190-7 (1989)


BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50016986
PNG
(7-Chloro-2-(4-methoxy-benzyl)-3-methyl-5-propyl-be...)
Show SMILES CCCc1cc(Cl)c2oc(Cc3ccc(OC)cc3)c(C)c2c1O
Show InChI InChI=1S/C20H21ClO3/c1-4-5-14-11-16(21)20-18(19(14)22)12(2)17(24-20)10-13-6-8-15(23-3)9-7-13/h6-9,11,22H,4-5,10H2,1-3H3
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n/an/a 11n/an/an/an/an/an/a



Merck Frosst Canada Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50 % inhibition of leukotriene B4 production in human PMN compared with controls in the absence of compound


J Med Chem 32: 1190-7 (1989)


BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50016990
PNG
(2-(4-Methoxy-benzyl)-3,7-dimethyl-5-propyl-benzofu...)
Show SMILES CCCc1cc(C)c2oc(Cc3ccc(OC)cc3)c(C)c2c1O
Show InChI InChI=1S/C21H24O3/c1-5-6-16-11-13(2)21-19(20(16)22)14(3)18(24-21)12-15-7-9-17(23-4)10-8-15/h7-11,22H,5-6,12H2,1-4H3
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n/an/a 12n/an/an/an/an/an/a



Merck Frosst Canada Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50 % inhibition of leukotriene B4 production in human PMN compared with controls in the absence of compound


J Med Chem 32: 1190-7 (1989)


BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50017001
PNG
(7-Chloro-2-(2,4-dimethoxy-benzyl)-3-methyl-5-propy...)
Show SMILES CCCc1cc(Cl)c2oc(Cc3ccc(OC)cc3OC)c(C)c2c1O
Show InChI InChI=1S/C21H23ClO4/c1-5-6-14-9-16(22)21-19(20(14)23)12(2)17(26-21)10-13-7-8-15(24-3)11-18(13)25-4/h7-9,11,23H,5-6,10H2,1-4H3
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n/an/a 13n/an/an/an/an/an/a



Merck Frosst Canada Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50 % inhibition of leukotriene B4 production in human PMN compared with controls in the absence of compound


J Med Chem 32: 1190-7 (1989)


BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50017000
PNG
(5-Allyl-7-chloro-2-(4-methoxy-benzyl)-3-methyl-ben...)
Show SMILES COc1ccc(Cc2oc3c(Cl)cc(CC=C)c(O)c3c2C)cc1
Show InChI InChI=1S/C20H19ClO3/c1-4-5-14-11-16(21)20-18(19(14)22)12(2)17(24-20)10-13-6-8-15(23-3)9-7-13/h4,6-9,11,22H,1,5,10H2,2-3H3
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n/an/a 20n/an/an/an/an/an/a



Merck Frosst Canada Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50 % inhibition of leukotriene B4 production in human PMN compared with controls in the absence of compound


J Med Chem 32: 1190-7 (1989)


BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50016987
PNG
(7-Chloro-2-(4-methoxy-benzyl)-3,5-dipropyl-benzofu...)
Show SMILES CCCc1c(Cc2ccc(OC)cc2)oc2c(Cl)cc(CCC)c(O)c12
Show InChI InChI=1S/C22H25ClO3/c1-4-6-15-13-18(23)22-20(21(15)24)17(7-5-2)19(26-22)12-14-8-10-16(25-3)11-9-14/h8-11,13,24H,4-7,12H2,1-3H3
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n/an/a 20n/an/an/an/an/an/a



Merck Frosst Canada Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50 % inhibition of leukotriene B4 production in human PMN compared with controls in the absence of compound


J Med Chem 32: 1190-7 (1989)


BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50016998
PNG
(7-Chloro-2-(4-chloro-benzyl)-3-methyl-5-propyl-ben...)
Show SMILES CCCc1cc(Cl)c2oc(Cc3ccc(Cl)cc3)c(C)c2c1O
Show InChI InChI=1S/C19H18Cl2O2/c1-3-4-13-10-15(21)19-17(18(13)22)11(2)16(23-19)9-12-5-7-14(20)8-6-12/h5-8,10,22H,3-4,9H2,1-2H3
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n/an/a 26n/an/an/an/an/an/a



Merck Frosst Canada Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50 % inhibition of leukotriene B4 production in human PMN compared with controls in the absence of compound


J Med Chem 32: 1190-7 (1989)


BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50016994
PNG
(2-Benzyl-7-chloro-3-methyl-5-propyl-benzofuran-4-o...)
Show SMILES CCCc1cc(Cl)c2oc(Cc3ccccc3)c(C)c2c1O
Show InChI InChI=1S/C19H19ClO2/c1-3-7-14-11-15(20)19-17(18(14)21)12(2)16(22-19)10-13-8-5-4-6-9-13/h4-6,8-9,11,21H,3,7,10H2,1-2H3
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n/an/a 30n/an/an/an/an/an/a



Merck Frosst Canada Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50 % inhibition of leukotriene B4 production in human PMN compared with controls in the absence of compound


J Med Chem 32: 1190-7 (1989)


BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50016985
PNG
(2-(4-Methoxy-benzyl)-3-methyl-5-propyl-benzofuran-...)
Show SMILES CCCc1ccc2oc(Cc3ccc(OC)cc3)c(C)c2c1O
Show InChI InChI=1S/C20H22O3/c1-4-5-15-8-11-17-19(20(15)21)13(2)18(23-17)12-14-6-9-16(22-3)10-7-14/h6-11,21H,4-5,12H2,1-3H3
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n/an/a 31n/an/an/an/an/an/a



Merck Frosst Canada Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50 % inhibition of leukotriene B4 production in human PMN compared with controls in the absence of compound


J Med Chem 32: 1190-7 (1989)


BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50016986
PNG
(7-Chloro-2-(4-methoxy-benzyl)-3-methyl-5-propyl-be...)
Show SMILES CCCc1cc(Cl)c2oc(Cc3ccc(OC)cc3)c(C)c2c1O
Show InChI InChI=1S/C20H21ClO3/c1-4-5-14-11-16(21)20-18(19(14)22)12(2)17(24-20)10-13-6-8-15(23-3)9-7-13/h6-9,11,22H,4-5,10H2,1-3H3
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n/an/a 36n/an/an/an/an/an/a



Merck Frosst Canada Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50 % inhibition of arachidonic acid oxidation by rat 5-lipoxygenase


J Med Chem 32: 1190-7 (1989)


BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50016989
PNG
(7-Chloro-2-(4-methoxy-benzyl)-3,5-dimethyl-benzofu...)
Show SMILES COc1ccc(Cc2oc3c(Cl)cc(C)c(O)c3c2C)cc1
Show InChI InChI=1S/C18H17ClO3/c1-10-8-14(19)18-16(17(10)20)11(2)15(22-18)9-12-4-6-13(21-3)7-5-12/h4-8,20H,9H2,1-3H3
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n/an/a 46n/an/an/an/an/an/a



Merck Frosst Canada Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50 % inhibition of leukotriene B4 production in human PMN compared with controls in the absence of compound


J Med Chem 32: 1190-7 (1989)


BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair
2-Hydroxyacid oxidase 1


(Homo sapiens (Human))
BDBM50404997
PNG
(CHEMBL18295)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(cc1)-c1ccc(SCC2(O)COc3ccccc3OC2)cc1
Show InChI InChI=1S/C26H22O7S/c27-21(13-22(28)25(29)30)19-7-5-17(6-8-19)18-9-11-20(12-10-18)34-16-26(31)14-32-23-3-1-2-4-24(23)33-15-26/h1-12,31H,13-16H2,(H,29,30)
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n/an/a 60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Glycolate oxidase


J Med Chem 26: 1196-200 (1983)


BindingDB Entry DOI: 10.7270/Q27082K8
More data for this
Ligand-Target Pair
2-Hydroxyacid oxidase 1


(Homo sapiens (Human))
BDBM50405004
PNG
(CHEMBL282504)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C16H11BrO4/c17-13-7-5-11(6-8-13)10-1-3-12(4-2-10)14(18)9-15(19)16(20)21/h1-8H,9H2,(H,20,21)
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n/an/a 63n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Glycolate oxidase


J Med Chem 26: 1196-200 (1983)


BindingDB Entry DOI: 10.7270/Q27082K8
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50016992
PNG
(7-Chloro-5-(3-hydroxy-propyl)-2-(4-methoxy-benzyl)...)
Show SMILES COc1ccc(Cc2oc3c(Cl)cc(CCCO)c(O)c3c2C)cc1
Show InChI InChI=1S/C20H21ClO4/c1-12-17(10-13-5-7-15(24-2)8-6-13)25-20-16(21)11-14(4-3-9-22)19(23)18(12)20/h5-8,11,22-23H,3-4,9-10H2,1-2H3
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n/an/a 76n/an/an/an/an/an/a



Merck Frosst Canada Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50 % inhibition of leukotriene B4 production in human PMN compared with controls in the absence of compound


J Med Chem 32: 1190-7 (1989)


BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM32020
PNG
(4-[4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]pyro...)
Show SMILES CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1
Show InChI InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3
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n/an/a 85n/an/an/an/an/an/a



Merck Frosst Canada Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50 % inhibition of leukotriene B4 production in human PMN compared with controls in the absence of compound


J Med Chem 32: 1190-7 (1989)


BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
2-Hydroxyacid oxidase 1


(Homo sapiens (Human))
BDBM50405001
PNG
(CHEMBL273783)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(cc1)-c1ccc(SCCc2ccncc2)cc1
Show InChI InChI=1S/C23H19NO4S/c25-21(15-22(26)23(27)28)19-3-1-17(2-4-19)18-5-7-20(8-6-18)29-14-11-16-9-12-24-13-10-16/h1-10,12-13H,11,14-15H2,(H,27,28)
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n/an/a 90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Glycolate oxidase


J Med Chem 26: 1196-200 (1983)


BindingDB Entry DOI: 10.7270/Q27082K8
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50016997
PNG
(5-tert-Butyl-7-chloro-2-(4-methoxy-benzyl)-3-methy...)
Show SMILES COc1ccc(Cc2oc3c(Cl)cc(c(O)c3c2C)C(C)(C)C)cc1
Show InChI InChI=1S/C21H23ClO3/c1-12-17(10-13-6-8-14(24-5)9-7-13)25-20-16(22)11-15(21(2,3)4)19(23)18(12)20/h6-9,11,23H,10H2,1-5H3
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n/an/a 99n/an/an/an/an/an/a



Merck Frosst Canada Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50 % inhibition of leukotriene B4 production in human PMN compared with controls in the absence of compound


J Med Chem 32: 1190-7 (1989)


BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50017002
PNG
(CHEMBL18559 | [4-(7-Chloro-4-hydroxy-3-methyl-5-pr...)
Show SMILES CCCc1cc(Cl)c2oc(Cc3ccc(OCC(O)=O)cc3)c(C)c2c1O
Show InChI InChI=1S/C21H21ClO5/c1-3-4-14-10-16(22)21-19(20(14)25)12(2)17(27-21)9-13-5-7-15(8-6-13)26-11-18(23)24/h5-8,10,25H,3-4,9,11H2,1-2H3,(H,23,24)
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n/an/a 105n/an/an/an/an/an/a



Merck Frosst Canada Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50 % inhibition of leukotriene B4 production in human PMN compared with controls in the absence of compound


J Med Chem 32: 1190-7 (1989)


BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50016991
PNG
(7-Fluoro-2-(4-methoxy-benzyl)-3-methyl-5-propyl-be...)
Show SMILES CCCc1cc(F)c2oc(Cc3ccc(OC)cc3)c(C)c2c1O
Show InChI InChI=1S/C20H21FO3/c1-4-5-14-11-16(21)20-18(19(14)22)12(2)17(24-20)10-13-6-8-15(23-3)9-7-13/h6-9,11,22H,4-5,10H2,1-3H3
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n/an/a 129n/an/an/an/an/an/a



Merck Frosst Canada Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50 % inhibition of arachidonic acid oxidation by rat 5-lipoxygenase


J Med Chem 32: 1190-7 (1989)


BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50016985
PNG
(2-(4-Methoxy-benzyl)-3-methyl-5-propyl-benzofuran-...)
Show SMILES CCCc1ccc2oc(Cc3ccc(OC)cc3)c(C)c2c1O
Show InChI InChI=1S/C20H22O3/c1-4-5-15-8-11-17-19(20(15)21)13(2)18(23-17)12-14-6-9-16(22-3)10-7-14/h6-11,21H,4-5,12H2,1-3H3
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Merck Frosst Canada Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50 % inhibition of arachidonic acid oxidation by rat 5-lipoxygenase


J Med Chem 32: 1190-7 (1989)


BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair
2-Hydroxyacid oxidase 1


(Homo sapiens (Human))
BDBM50405003
PNG
(CHEMBL428525)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(cc1)-c1ccc(S)cc1
Show InChI InChI=1S/C16H12O4S/c17-14(9-15(18)16(19)20)12-3-1-10(2-4-12)11-5-7-13(21)8-6-11/h1-8,21H,9H2,(H,19,20)
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n/an/a 130n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Glycolate oxidase


J Med Chem 26: 1196-200 (1983)


BindingDB Entry DOI: 10.7270/Q27082K8
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50016990
PNG
(2-(4-Methoxy-benzyl)-3,7-dimethyl-5-propyl-benzofu...)
Show SMILES CCCc1cc(C)c2oc(Cc3ccc(OC)cc3)c(C)c2c1O
Show InChI InChI=1S/C21H24O3/c1-5-6-16-11-13(2)21-19(20(16)22)14(3)18(24-21)12-15-7-9-17(23-4)10-8-15/h7-11,22H,5-6,12H2,1-4H3
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n/an/a 140n/an/an/an/an/an/a



Merck Frosst Canada Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50 % inhibition of arachidonic acid oxidation by rat 5-lipoxygenase


J Med Chem 32: 1190-7 (1989)


BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair
2-Hydroxyacid oxidase 1


(Homo sapiens (Human))
BDBM50405007
PNG
(CHEMBL18721)
Show SMILES CSc1ccc(cc1)-c1ccc(cc1)C(=O)CC(=O)C(O)=O
Show InChI InChI=1S/C17H14O4S/c1-22-14-8-6-12(7-9-14)11-2-4-13(5-3-11)15(18)10-16(19)17(20)21/h2-9H,10H2,1H3,(H,20,21)
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n/an/a 160n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Glycolate oxidase


J Med Chem 26: 1196-200 (1983)


BindingDB Entry DOI: 10.7270/Q27082K8
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50016992
PNG
(7-Chloro-5-(3-hydroxy-propyl)-2-(4-methoxy-benzyl)...)
Show SMILES COc1ccc(Cc2oc3c(Cl)cc(CCCO)c(O)c3c2C)cc1
Show InChI InChI=1S/C20H21ClO4/c1-12-17(10-13-5-7-15(24-2)8-6-13)25-20-16(21)11-14(4-3-9-22)19(23)18(12)20/h5-8,11,22-23H,3-4,9-10H2,1-2H3
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n/an/a 161n/an/an/an/an/an/a



Merck Frosst Canada Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50 % inhibition of arachidonic acid oxidation by rat 5-lipoxygenase


J Med Chem 32: 1190-7 (1989)


BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair
2-Hydroxyacid oxidase 1


(Homo sapiens (Human))
BDBM50404998
PNG
(CHEMBL276330)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(cc1)-n1c(cc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C24H17NO4/c26-22(15-23(27)24(28)29)17-10-12-19(13-11-17)25-20-9-5-4-8-18(20)14-21(25)16-6-2-1-3-7-16/h1-14H,15H2,(H,28,29)
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n/an/a 180n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Glycolate oxidase


J Med Chem 26: 1196-200 (1983)


BindingDB Entry DOI: 10.7270/Q27082K8
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50016993
PNG
(7-Chloro-5-ethoxymethyl-2-(4-methoxy-benzyl)-3-met...)
Show SMILES CCOCc1cc(Cl)c2oc(Cc3ccc(OC)cc3)c(C)c2c1O
Show InChI InChI=1S/C20H21ClO4/c1-4-24-11-14-10-16(21)20-18(19(14)22)12(2)17(25-20)9-13-5-7-15(23-3)8-6-13/h5-8,10,22H,4,9,11H2,1-3H3
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n/an/a 291n/an/an/an/an/an/a



Merck Frosst Canada Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50 % inhibition of leukotriene B4 production in human PMN compared with controls in the absence of compound


J Med Chem 32: 1190-7 (1989)


BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50016999
PNG
(7-Chloro-2-(4-methoxy-benzyl)-3-methyl-benzofuran-...)
Show SMILES COc1ccc(Cc2oc3c(Cl)ccc(O)c3c2C)cc1
Show InChI InChI=1S/C17H15ClO3/c1-10-15(9-11-3-5-12(20-2)6-4-11)21-17-13(18)7-8-14(19)16(10)17/h3-8,19H,9H2,1-2H3
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n/an/a 376n/an/an/an/an/an/a



Merck Frosst Canada Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50 % inhibition of leukotriene B4 production in human PMN compared with controls in the absence of compound


J Med Chem 32: 1190-7 (1989)


BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair
2-Hydroxyacid oxidase 1


(Homo sapiens (Human))
BDBM50405002
PNG
(CHEMBL19036)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(cc1)-c1ccc(SCc2ccccc2)cc1
Show InChI InChI=1S/C23H18O4S/c24-21(14-22(25)23(26)27)19-8-6-17(7-9-19)18-10-12-20(13-11-18)28-15-16-4-2-1-3-5-16/h1-13H,14-15H2,(H,26,27)
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n/an/a 400n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Glycolate oxidase


J Med Chem 26: 1196-200 (1983)


BindingDB Entry DOI: 10.7270/Q27082K8
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50016986
PNG
(7-Chloro-2-(4-methoxy-benzyl)-3-methyl-5-propyl-be...)
Show SMILES CCCc1cc(Cl)c2oc(Cc3ccc(OC)cc3)c(C)c2c1O
Show InChI InChI=1S/C20H21ClO3/c1-4-5-14-11-16(21)20-18(19(14)22)12(2)17(24-20)10-13-6-8-15(23-3)9-7-13/h6-9,11,22H,4-5,10H2,1-3H3
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n/an/a 400n/an/an/an/an/an/a



Merck Frosst Canada Inc.

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase reaction catalyzed by purified enzyme from porcine leukocytes


J Med Chem 32: 1190-7 (1989)


BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair
2-Hydroxyacid oxidase 1


(Homo sapiens (Human))
BDBM50405010
PNG
(CHEMBL18672)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(Cc2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C17H12Cl2O4/c18-13-6-3-11(8-14(13)19)7-10-1-4-12(5-2-10)15(20)9-16(21)17(22)23/h1-6,8H,7,9H2,(H,22,23)
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n/an/a 440n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Glycolate oxidase


J Med Chem 26: 1196-200 (1983)


BindingDB Entry DOI: 10.7270/Q27082K8
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50016988
PNG
(2-(4-Methoxy-benzyl)-3-methyl-benzofuran-4-ol | CH...)
Show SMILES COc1ccc(Cc2oc3cccc(O)c3c2C)cc1
Show InChI InChI=1S/C17H16O3/c1-11-16(10-12-6-8-13(19-2)9-7-12)20-15-5-3-4-14(18)17(11)15/h3-9,18H,10H2,1-2H3
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n/an/a 574n/an/an/an/an/an/a



Merck Frosst Canada Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50 % inhibition of leukotriene B4 production in human PMN compared with controls in the absence of compound


J Med Chem 32: 1190-7 (1989)


BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair
2-Hydroxyacid oxidase 1


(Homo sapiens (Human))
BDBM50404999
PNG
(CHEMBL282502)
Show SMILES CCCCCCCCCc1ccc(cc1)C(=O)CC(=O)C(O)=O
Show InChI InChI=1S/C19H26O4/c1-2-3-4-5-6-7-8-9-15-10-12-16(13-11-15)17(20)14-18(21)19(22)23/h10-13H,2-9,14H2,1H3,(H,22,23)
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n/an/a 600n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Glycolate oxidase


J Med Chem 26: 1196-200 (1983)


BindingDB Entry DOI: 10.7270/Q27082K8
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50016996
PNG
(5,7-Dichloro-2-(4-methoxy-benzyl)-3-methyl-benzofu...)
Show SMILES COc1ccc(Cc2oc3c(Cl)cc(Cl)c(O)c3c2C)cc1
Show InChI InChI=1S/C17H14Cl2O3/c1-9-14(7-10-3-5-11(21-2)6-4-10)22-17-13(19)8-12(18)16(20)15(9)17/h3-6,8,20H,7H2,1-2H3
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n/an/a 860n/an/an/an/an/an/a



Merck Frosst Canada Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50 % inhibition of leukotriene B4 production in human PMN compared with controls in the absence of compound


J Med Chem 32: 1190-7 (1989)


BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair
2-Hydroxyacid oxidase 1


(Homo sapiens (Human))
BDBM50152559
PNG
(4-Biphenyl-4-yl-2,4-dioxo-butyric acid | CHEMBL182...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H12O4/c17-14(10-15(18)16(19)20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H,19,20)
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n/an/a 1.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Glycolate oxidase


J Med Chem 26: 1196-200 (1983)


BindingDB Entry DOI: 10.7270/Q27082K8
More data for this
Ligand-Target Pair
2-Hydroxyacid oxidase 1


(Homo sapiens (Human))
BDBM50405000
PNG
(CHEMBL18773)
Show SMILES CCCCCCCCCC(=O)CC(=O)C(O)=O
Show InChI InChI=1S/C13H22O4/c1-2-3-4-5-6-7-8-9-11(14)10-12(15)13(16)17/h2-10H2,1H3,(H,16,17)
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n/an/a 1.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Glycolate oxidase


J Med Chem 26: 1196-200 (1983)


BindingDB Entry DOI: 10.7270/Q27082K8
More data for this
Ligand-Target Pair
2-Hydroxyacid oxidase 1


(Homo sapiens (Human))
BDBM50405005
PNG
(CHEMBL279530)
Show SMILES CC1=C(C=CC(=O)CC(=O)C(O)=O)C(C)(C)CCC1 |w:4.4,c:1|
Show InChI InChI=1S/C15H20O4/c1-10-5-4-8-15(2,3)12(10)7-6-11(16)9-13(17)14(18)19/h6-7H,4-5,8-9H2,1-3H3,(H,18,19)
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n/an/a 1.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Glycolate oxidase


J Med Chem 26: 1196-200 (1983)


BindingDB Entry DOI: 10.7270/Q27082K8
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50016999
PNG
(7-Chloro-2-(4-methoxy-benzyl)-3-methyl-benzofuran-...)
Show SMILES COc1ccc(Cc2oc3c(Cl)ccc(O)c3c2C)cc1
Show InChI InChI=1S/C17H15ClO3/c1-10-15(9-11-3-5-12(20-2)6-4-11)21-17-13(18)7-8-14(19)16(10)17/h3-8,19H,9H2,1-2H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Merck Frosst Canada Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50 % inhibition of arachidonic acid oxidation by rat 5-lipoxygenase


J Med Chem 32: 1190-7 (1989)


BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50016988
PNG
(2-(4-Methoxy-benzyl)-3-methyl-benzofuran-4-ol | CH...)
Show SMILES COc1ccc(Cc2oc3cccc(O)c3c2C)cc1
Show InChI InChI=1S/C17H16O3/c1-11-16(10-12-6-8-13(19-2)9-7-12)20-15-5-3-4-14(18)17(11)15/h3-9,18H,10H2,1-2H3
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n/an/a 2.07E+3n/an/an/an/an/an/a



Merck Frosst Canada Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50 % inhibition of arachidonic acid oxidation by rat 5-lipoxygenase


J Med Chem 32: 1190-7 (1989)


BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair
2-Hydroxyacid oxidase 1


(Homo sapiens (Human))
BDBM50405009
PNG
(CHEMBL19028)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(cc1)C1CCCc2ccccc12
Show InChI InChI=1S/C20H18O4/c21-18(12-19(22)20(23)24)15-10-8-14(9-11-15)17-7-3-5-13-4-1-2-6-16(13)17/h1-2,4,6,8-11,17H,3,5,7,12H2,(H,23,24)
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n/an/a 2.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Glycolate oxidase


J Med Chem 26: 1196-200 (1983)


BindingDB Entry DOI: 10.7270/Q27082K8
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50016995
PNG
(3-[7-Chloro-4-hydroxy-2-(4-methoxy-benzyl)-3-methy...)
Show SMILES COc1ccc(Cc2oc3c(Cl)cc(CCC(O)=O)c(O)c3c2C)cc1
Show InChI InChI=1S/C20H19ClO5/c1-11-16(9-12-3-6-14(25-2)7-4-12)26-20-15(21)10-13(5-8-17(22)23)19(24)18(11)20/h3-4,6-7,10,24H,5,8-9H2,1-2H3,(H,22,23)
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n/an/a 2.13E+3n/an/an/an/an/an/a



Merck Frosst Canada Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50 % inhibition of leukotriene B4 production in human PMN compared with controls in the absence of compound


J Med Chem 32: 1190-7 (1989)


BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair
2-Hydroxyacid oxidase 1


(Homo sapiens (Human))
BDBM50125793
PNG
(4-(4-Cyclohexyl-phenyl)-2-hydroxy-4-oxo-but-2-enoi...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C16H18O4/c17-14(10-15(18)16(19)20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H,19,20)
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n/an/a 3.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Glycolate oxidase


J Med Chem 26: 1196-200 (1983)


BindingDB Entry DOI: 10.7270/Q27082K8
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50009004
PNG
((phenidone)1-Phenyl-pyrazolidin-3-one | 1-Phenyl-p...)
Show SMILES O=C1CCN(N1)c1ccccc1
Show InChI InChI=1S/C9H10N2O/c12-9-6-7-11(10-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,12)
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n/an/a 9.20E+3n/an/an/an/an/an/a



Merck Frosst Canada Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50 % inhibition of leukotriene B4 production in human PMN compared with controls in the absence of compound


J Med Chem 32: 1190-7 (1989)


BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair
2-Hydroxyacid oxidase 1


(Homo sapiens (Human))
BDBM50405006
PNG
(CHEMBL275811)
Show SMILES OC(=O)C(=O)CC(=O)C=Cc1ccccc1 |w:9.9|
Show InChI InChI=1S/C12H10O4/c13-10(8-11(14)12(15)16)7-6-9-4-2-1-3-5-9/h1-7H,8H2,(H,15,16)
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n/an/a 1.90E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Glycolate oxidase


J Med Chem 26: 1196-200 (1983)


BindingDB Entry DOI: 10.7270/Q27082K8
More data for this
Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1


(Glycine max (soybean))
BDBM50016986
PNG
(7-Chloro-2-(4-methoxy-benzyl)-3-methyl-5-propyl-be...)
Show SMILES CCCc1cc(Cl)c2oc(Cc3ccc(OC)cc3)c(C)c2c1O
Show InChI InChI=1S/C20H21ClO3/c1-4-5-14-11-16(21)20-18(19(14)22)12(2)17(24-20)10-13-6-8-15(23-3)9-7-13/h6-9,11,22H,4-5,10H2,1-3H3
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n/an/a 3.00E+4n/an/an/an/an/an/a



Merck Frosst Canada Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound towards soybean lipoxygenase


J Med Chem 32: 1190-7 (1989)


BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50016986
PNG
(7-Chloro-2-(4-methoxy-benzyl)-3-methyl-5-propyl-be...)
Show SMILES CCCc1cc(Cl)c2oc(Cc3ccc(OC)cc3)c(C)c2c1O
Show InChI InChI=1S/C20H21ClO3/c1-4-5-14-11-16(21)20-18(19(14)22)12(2)17(24-20)10-13-6-8-15(23-3)9-7-13/h6-9,11,22H,4-5,10H2,1-3H3
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n/an/a 4.00E+4n/an/an/an/an/an/a



Merck Frosst Canada Inc.

Curated by ChEMBL


Assay Description
Inhibition of partially purified 15-lipoxygenase from human leukocytes


J Med Chem 32: 1190-7 (1989)


BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Sus scrofa)
BDBM50016986
PNG
(7-Chloro-2-(4-methoxy-benzyl)-3-methyl-5-propyl-be...)
Show SMILES CCCc1cc(Cl)c2oc(Cc3ccc(OC)cc3)c(C)c2c1O
Show InChI InChI=1S/C20H21ClO3/c1-4-5-14-11-16(21)20-18(19(14)22)12(2)17(24-20)10-13-6-8-15(23-3)9-7-13/h6-9,11,22H,4-5,10H2,1-3H3
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n/an/a 4.00E+4n/an/an/an/an/an/a



Merck Frosst Canada Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound towards porcine 12-lipoxygenase


J Med Chem 32: 1190-7 (1989)


BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair