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14 similar compounds to monomer 50016999

Compile data set for download or QSAR
Wt: 337.1
BDBM50016996
Wt: 358.8
BDBM50016997
Wt: 349.2
BDBM50016998
Wt: 342.8
BDBM50017000
Wt: 374.8
BDBM50017001
Wt: 388.8
BDBM50017002
Wt: 344.8
BDBM50016986
Wt: 372.8
BDBM50016987
Wt: 268.3
BDBM50016988
Wt: 316.7
BDBM50016989
Wt: 360.8
BDBM50016992
Wt: 360.8
BDBM50016993
Wt: 314.8
BDBM50016994
Wt: 374.8
BDBM50016995

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50016996,50016997,50016998,50017000,50017001,50017002,50016986,50016987,50016988,50016989,50016992,50016993,50016994,50016995   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Arachidonate 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)


Article DOI: 10.1021/jm00126a008
BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair
Arachidonate 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)


Article DOI: 10.1021/jm00126a008
BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair
Arachidonate 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)


Article DOI: 10.1021/jm00126a008
BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair
Arachidonate 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)


Article DOI: 10.1021/jm00126a008
BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair
Arachidonate 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)


Article DOI: 10.1021/jm00126a008
BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair
Arachidonate 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)


Article DOI: 10.1021/jm00126a008
BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair
Arachidonate 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)


Article DOI: 10.1021/jm00126a008
BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair
Arachidonate 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)


Article DOI: 10.1021/jm00126a008
BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair
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)


Article DOI: 10.1021/jm00126a008
BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair
Arachidonate 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)


Article DOI: 10.1021/jm00126a008
BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair
Arachidonate 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)


Article DOI: 10.1021/jm00126a008
BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair
Arachidonate 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)


Article DOI: 10.1021/jm00126a008
BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair
Arachidonate 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)


Article DOI: 10.1021/jm00126a008
BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair
Arachidonate 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)


Article DOI: 10.1021/jm00126a008
BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair
Arachidonate 12-lipoxygenase


(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)


Article DOI: 10.1021/jm00126a008
BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair
Arachidonate 15-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 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)


Article DOI: 10.1021/jm00126a008
BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair
Arachidonate 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)


Article DOI: 10.1021/jm00126a008
BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair
Arachidonate 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)


Article DOI: 10.1021/jm00126a008
BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair
Arachidonate 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)


Article DOI: 10.1021/jm00126a008
BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair
Arachidonate 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
PDB
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Article
PubMed
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)


Article DOI: 10.1021/jm00126a008
BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair
Arachidonate 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
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
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)


Article DOI: 10.1021/jm00126a008
BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair