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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 162.1
BDBM50009004
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Wt: 173.0
BDBM50150779
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Wt: 173.0
BDBM50150783
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Wt: 201.0
BDBM50150786
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Wt: 187.0
BDBM50150787
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Wt: 173.0
BDBM50150795
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Wt: 204.2
BDBM50222281
Wt: 204.2
BDBM50222283
Wt: 204.2
BDBM50222310
Wt: 204.2
BDBM50222311
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Wt: 204.2
BDBM50222275
Wt: 190.1
BDBM50222298
Wt: 190.1
BDBM50222299
Wt: 194.2
BDBM50292636
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Wt: 186.2
BDBM50446411
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Displayed 1 to 15 (of 287 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 74 hits in this display   
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
12-Lipoxygenase (12-LOX)


(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 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human platelet 12-lipoxygenase was evaluated


Bioorg Med Chem Lett 2: 1353-1356 (1992)


Article DOI: 10.1016/S0960-894X(00)80511-9
BindingDB Entry DOI: 10.7270/Q2H41RC2
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(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 100n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibition of 12-LO human platelet


J Med Chem 39: 3938-50 (1996)


Article DOI: 10.1021/jm960372b
BindingDB Entry DOI: 10.7270/Q2GQ6WWW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(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 300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human whole blood, LTB4 5-lipoxygenase was evaluated


Bioorg Med Chem Lett 2: 1353-1356 (1992)


Article DOI: 10.1016/S0960-894X(00)80511-9
BindingDB Entry DOI: 10.7270/Q2H41RC2
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(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 300n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro 5-lipoxygenase inhibitory activity of the compound against calcium ionophore (A23187) induced LTB4 formation in human whole blood


J Med Chem 39: 3938-50 (1996)


Article DOI: 10.1021/jm960372b
BindingDB Entry DOI: 10.7270/Q2GQ6WWW
More data for this
Ligand-Target Pair
Arachidonate 15-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 420n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against soyabean 15-lipoxygenase was evaluated


Bioorg Med Chem Lett 2: 1353-1356 (1992)


Article DOI: 10.1016/S0960-894X(00)80511-9
BindingDB Entry DOI: 10.7270/Q2H41RC2
More data for this
Ligand-Target Pair
Arachidonate 15-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 420n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibition of 15-lipoxygenase soyabean


J Med Chem 39: 3938-50 (1996)


Article DOI: 10.1021/jm960372b
BindingDB Entry DOI: 10.7270/Q2GQ6WWW
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
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 480n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 5-Lipoxygenase of rat basophilic leukemia cells


Bioorg Med Chem Lett 2: 1079-1084 (1992)


Article DOI: 10.1016/S0960-894X(00)80622-8
BindingDB Entry DOI: 10.7270/Q2S75G70
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
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 520n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
In vitro inhibition of rat 5-Lipoxygenase


J Med Chem 34: 1560-70 (1991)


Article DOI: 10.1021/jm00109a006
BindingDB Entry DOI: 10.7270/Q2RV0MPG
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
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 520n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against intact rat PMNL, LTB4 5-lipoxygenase was evaluated


Bioorg Med Chem Lett 2: 1353-1356 (1992)


Article DOI: 10.1016/S0960-894X(00)80511-9
BindingDB Entry DOI: 10.7270/Q2H41RC2
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
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 520n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro 5-lipoxygenase inhibitory activity of the compound against calcium ionophore (A23187) induced LTB4 formation in rat polymorphonuclear leukoc...


J Med Chem 39: 3938-50 (1996)


Article DOI: 10.1021/jm960372b
BindingDB Entry DOI: 10.7270/Q2GQ6WWW
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50292636
PNG
(4-hexyl resorcinol | ACRISORCIN | CHEMBL443605)
Show SMILES CCCCCCc1ccc(O)cc1O
Show InChI InChI=1S/C12H18O2/c1-2-3-4-5-6-10-7-8-11(13)9-12(10)14/h7-9,13-14H,2-6H2,1H3
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n/an/a 560n/an/an/an/an/an/a



Tokyo University of Agriculture and Technology

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase (unknown origin) using L-DOPA as substrate assessed as formation of dopachrome by spectrophotometric analysis


Bioorg Med Chem 23: 6650-8 (2015)


Article DOI: 10.1016/j.bmc.2015.09.014
BindingDB Entry DOI: 10.7270/Q2DR2X9W
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
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 570n/an/an/an/an/an/a



E. I. du Pont de Nemours and Company, Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit 5-lipoxygenase by using a crude preparation of the cytosolic enzyme from the rat basophilic leukemia (RBL-1) cell line


J Med Chem 33: 360-70 (1990)


Article DOI: 10.1021/jm00163a058
BindingDB Entry DOI: 10.7270/Q2513ZSJ
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50292636
PNG
(4-hexyl resorcinol | ACRISORCIN | CHEMBL443605)
Show SMILES CCCCCCc1ccc(O)cc1O
Show InChI InChI=1S/C12H18O2/c1-2-3-4-5-6-10-7-8-11(13)9-12(10)14/h7-9,13-14H,2-6H2,1H3
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n/an/a 980n/an/an/an/an/an/a



Università degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosine kinase assessed as oxidation of 0.25 mM L-3,4-dihydroxyphenylalanine


Bioorg Med Chem Lett 19: 36-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.020
BindingDB Entry DOI: 10.7270/Q2445MB2
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
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 1.00E+3n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined


J Med Chem 36: 3904-9 (1994)


Article DOI: 10.1021/jm00076a019
BindingDB Entry DOI: 10.7270/Q2MS3RT4
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(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 1.30E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro 5-lipoxygenase inhibitory activity against calcium ionophore (A23187) induced LTB4 formation in human polymorphonuclear leukocytes.


J Med Chem 39: 3938-50 (1996)


Article DOI: 10.1021/jm960372b
BindingDB Entry DOI: 10.7270/Q2GQ6WWW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(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 1.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against RBL broken cell-supematant 5-lipoxygenase was evaluated


Bioorg Med Chem Lett 2: 1353-1356 (1992)


Article DOI: 10.1016/S0960-894X(00)80511-9
BindingDB Entry DOI: 10.7270/Q2H41RC2
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
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 1.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against intact rat PMNL, LTB4 5-lipoxygenase was evaluated


Bioorg Med Chem Lett 2: 1353-1356 (1992)


Article DOI: 10.1016/S0960-894X(00)80511-9
BindingDB Entry DOI: 10.7270/Q2H41RC2
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
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 1.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase activity in RBL-1 cells.


Bioorg Med Chem Lett 2: 1309-1314 (1992)


Article DOI: 10.1016/S0960-894X(00)80236-X
BindingDB Entry DOI: 10.7270/Q2RN37RW
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
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 1.90E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase catalysis in rat basophilic leukemia (RBL) cells by measuring 5-HETE product formation


J Med Chem 39: 3938-50 (1996)


Article DOI: 10.1021/jm960372b
BindingDB Entry DOI: 10.7270/Q2GQ6WWW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(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 1.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase.


Bioorg Med Chem Lett 2: 1357-1360 (1992)


Article DOI: 10.1016/S0960-894X(00)80512-0
BindingDB Entry DOI: 10.7270/Q2CC10M8
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
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 2.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against RBL-1 5-LO


J Med Chem 30: 574-80 (1987)


Article DOI: 10.1021/jm00386a022
BindingDB Entry DOI: 10.7270/Q2QN67BB
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
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 2.10E+3n/an/an/an/an/an/a



Beecham Pharmaceuticals--Research Division

Curated by ChEMBL


Assay Description
In vitro inhibition of RBL-1 5-lipoxygenase; Value ranges from 1.07-5.54


J Med Chem 30: 2216-21 (1988)


Article DOI: 10.1021/jm00395a007
BindingDB Entry DOI: 10.7270/Q27M08JG
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
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 2.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against 5-lipoxygenase from rat basophilic leukemia cells.


J Med Chem 30: 1177-86 (1987)


Article DOI: 10.1021/jm00390a010
BindingDB Entry DOI: 10.7270/Q25M668Q
More data for this
Ligand-Target Pair
Arachidonate 15-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 2.20E+3n/an/an/an/an/an/a



Tamkang University

Curated by ChEMBL


Assay Description
Inhibitory activity against 15-lipoxygenase was determined obtained from soya bean


Bioorg Med Chem Lett 14: 63-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.012
BindingDB Entry DOI: 10.7270/Q2PC31TX
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
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 2.54E+3n/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against 5-lipoxygenase in RBL-1 cells


Bioorg Med Chem Lett 11: 845-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00077-4
BindingDB Entry DOI: 10.7270/Q2K35SXF
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50446411
PNG
(CHEMBL501426)
Show SMILES Oc1ccc(c(O)c1)-c1ccccc1
Show InChI InChI=1S/C12H10O2/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h1-8,13-14H
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n/an/a 2.80E+3n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate after 10 mins


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50292636
PNG
(4-hexyl resorcinol | ACRISORCIN | CHEMBL443605)
Show SMILES CCCCCCc1ccc(O)cc1O
Show InChI InChI=1S/C12H18O2/c1-2-3-4-5-6-10-7-8-11(13)9-12(10)14/h7-9,13-14H,2-6H2,1H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human PMNL using arachidonic acid as substrate preincubated for 15 mins


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
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 3.00E+3n/an/an/an/an/an/a



ICI Pharma

Curated by ChEMBL


Assay Description
In vitro inhibition of PGE-2 production was measured in rat blood


J Med Chem 34: 1028-36 (1991)


Article DOI: 10.1021/jm00107a023
BindingDB Entry DOI: 10.7270/Q28G8MXH
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50446411
PNG
(CHEMBL501426)
Show SMILES Oc1ccc(c(O)c1)-c1ccccc1
Show InChI InChI=1S/C12H10O2/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h1-8,13-14H
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n/an/a 4.20E+3n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human PMNL using arachidonic acid as substrate preincubated for 15 mins


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50292636
PNG
(4-hexyl resorcinol | ACRISORCIN | CHEMBL443605)
Show SMILES CCCCCCc1ccc(O)cc1O
Show InChI InChI=1S/C12H18O2/c1-2-3-4-5-6-10-7-8-11(13)9-12(10)14/h7-9,13-14H,2-6H2,1H3
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n/an/a 4.60E+3n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate after 10 mins


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
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 5.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat basophilic leukemia-1 (RBL-1) 5-lipoxygenase


J Med Chem 30: 254-63 (1987)


Article DOI: 10.1021/jm00385a005
BindingDB Entry DOI: 10.7270/Q2028S4N
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
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 6.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition against cyclooxygenase of bovine seminal vesicles


Bioorg Med Chem Lett 2: 1079-1084 (1992)


Article DOI: 10.1016/S0960-894X(00)80622-8
BindingDB Entry DOI: 10.7270/Q2S75G70
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(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)


Article DOI: 10.1021/jm00126a008
BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50446411
PNG
(CHEMBL501426)
Show SMILES Oc1ccc(c(O)c1)-c1ccccc1
Show InChI InChI=1S/C12H10O2/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h1-8,13-14H
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of 12-LO in human PMNL using arachidonic acid preincubated for 15 mins


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
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 1.00E+4n/an/an/an/an/an/a



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)


Article DOI: 10.1021/jm00107a023
BindingDB Entry DOI: 10.7270/Q28G8MXH
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50292636
PNG
(4-hexyl resorcinol | ACRISORCIN | CHEMBL443605)
Show SMILES CCCCCCc1ccc(O)cc1O
Show InChI InChI=1S/C12H18O2/c1-2-3-4-5-6-10-7-8-11(13)9-12(10)14/h7-9,13-14H,2-6H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of 12-LO in human PMNL using arachidonic acid preincubated for 15 mins


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50446411
PNG
(CHEMBL501426)
Show SMILES Oc1ccc(c(O)c1)-c1ccccc1
Show InChI InChI=1S/C12H10O2/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h1-8,13-14H
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of 15-LO in human PMNL using arachidonic acid as substrate preincubated for 15 mins


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50292636
PNG
(4-hexyl resorcinol | ACRISORCIN | CHEMBL443605)
Show SMILES CCCCCCc1ccc(O)cc1O
Show InChI InChI=1S/C12H18O2/c1-2-3-4-5-6-10-7-8-11(13)9-12(10)14/h7-9,13-14H,2-6H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of 15-LO in human PMNL using arachidonic acid as substrate preincubated for 15 mins


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human)-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 1.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human whole blood, TXB2 cyclooxygenase was evaluated


Bioorg Med Chem Lett 2: 1353-1356 (1992)


Article DOI: 10.1016/S0960-894X(00)80511-9
BindingDB Entry DOI: 10.7270/Q2H41RC2
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
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 1.30E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human whole blood, LTB4 5-lipoxygenase was evaluated


Bioorg Med Chem Lett 2: 1353-1356 (1992)


Article DOI: 10.1016/S0960-894X(00)80511-9
BindingDB Entry DOI: 10.7270/Q2H41RC2
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50150779
PNG
(4-Bromo-phenol | 4-bromophenol | CHEMBL57284)
Show SMILES Oc1ccc(Br)cc1
Show InChI InChI=1S/C6H5BrO/c7-5-1-3-6(8)4-2-5/h1-4,8H
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n/an/a 5.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory effect on human reticulocyte 15-lipoxygenase


J Med Chem 47: 4060-5 (2004)


Article DOI: 10.1021/jm049872s
BindingDB Entry DOI: 10.7270/Q2SX6CPV
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human)-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 9.40E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against intact human PMNL, LTB4 5-lipoxygenase was evaluated


Bioorg Med Chem Lett 2: 1353-1356 (1992)


Article DOI: 10.1016/S0960-894X(00)80511-9
BindingDB Entry DOI: 10.7270/Q2H41RC2
More data for this
Ligand-Target Pair
15-Lipoxygenase-2 (15-LOX-2)


(Homo sapiens (Human))
BDBM50222299
PNG
(2-ethyl-6-hydroxy-4H-benzopyran-4-one | CHEMBL3944...)
Show SMILES CCc1cc(=O)c2cc(O)ccc2o1
Show InChI InChI=1S/C11H10O3/c1-2-8-6-10(13)9-5-7(12)3-4-11(9)14-8/h3-6,12H,2H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO2


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
15-Lipoxygenase-2 (15-LOX-2)


(Homo sapiens (Human))
BDBM50222283
PNG
(6-hydroxy-2-propyl-4H-benzopyran-4-one | CHEMBL240...)
Show SMILES CCCc1cc(=O)c2cc(O)ccc2o1
Show InChI InChI=1S/C12H12O3/c1-2-3-9-7-11(14)10-6-8(13)4-5-12(10)15-9/h4-7,13H,2-3H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO2


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
15-Lipoxygenase-2 (15-LOX-2)


(Homo sapiens (Human))
BDBM50222311
PNG
(7-hydroxy-2-propyl-4H-benzopyran-4-one | CHEMBL241...)
Show SMILES CCCc1cc(=O)c2ccc(O)cc2o1
Show InChI InChI=1S/C12H12O3/c1-2-3-9-7-11(14)10-5-4-8(13)6-12(10)15-9/h4-7,13H,2-3H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO2


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
15-Lipoxygenase-2 (15-LOX-2)


(Homo sapiens (Human))
BDBM50222310
PNG
(7-hydroxy-2-isopropyl-4H-benzopyran-4-one | CHEMBL...)
Show SMILES CC(C)c1cc(=O)c2ccc(O)cc2o1
Show InChI InChI=1S/C12H12O3/c1-7(2)11-6-10(14)9-4-3-8(13)5-12(9)15-11/h3-7,13H,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO2


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
15-Lipoxygenase-2 (15-LOX-2)


(Homo sapiens (Human))
BDBM50222298
PNG
(2-ethyl-3-hydroxy-4 H-benzopyran-4-one | CHEMBL238...)
Show SMILES CCc1oc2ccccc2c(=O)c1O
Show InChI InChI=1S/C11H10O3/c1-2-8-11(13)10(12)7-5-3-4-6-9(7)14-8/h3-6,13H,2H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO2


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
15-Lipoxygenase-2 (15-LOX-2)


(Homo sapiens (Human))
BDBM50222281
PNG
(3-hydroxy-2-propyl-4H-benzopyran-4-one | CHEMBL394...)
Show SMILES CC(C)c1oc2ccccc2c(=O)c1O
Show InChI InChI=1S/C12H12O3/c1-7(2)12-11(14)10(13)8-5-3-4-6-9(8)15-12/h3-7,14H,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO2


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
15-Lipoxygenase-2 (15-LOX-2)


(Homo sapiens (Human))
BDBM50222275
PNG
(2-isopropyl-3-hydroxy-4H-benzopyran-4-one | CHEMBL...)
Show SMILES CCCc1oc2ccccc2c(=O)c1O
Show InChI InChI=1S/C12H12O3/c1-2-5-10-12(14)11(13)8-6-3-4-7-9(8)15-10/h3-4,6-7,14H,2,5H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO2


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50150779
PNG
(4-Bromo-phenol | 4-bromophenol | CHEMBL57284)
Show SMILES Oc1ccc(Br)cc1
Show InChI InChI=1S/C6H5BrO/c7-5-1-3-6(8)4-2-5/h1-4,8H
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory effect on human platelet 12-lipoxygenase


J Med Chem 47: 4060-5 (2004)


Article DOI: 10.1021/jm049872s
BindingDB Entry DOI: 10.7270/Q2SX6CPV
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 74 total )  |  Next  |  Last  >>

Activity Spreadsheet -- ITC Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this search
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kJ/mole
-TΔS°
kJ/mole
ΔH°
kJ/mole
log KpHTemp
°C
BDBM36284
JPEG
BDBM50150779
JPEG
PC cid
PC sid
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
-22.6n/an/a3.96725



University of Cambridge





J Phys Chem B 114: 8606-15 (2010)