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Compile Data Set for Download or QSAR

Found 26 hits of ic50 for monomerid = 50000540   
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))
BDBM50000540
PNG
(1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazo...)
Show SMILES NC1=NN(CC1)c1cccc(c1)C(F)(F)F |t:1|
Show InChI InChI=1S/C10H10F3N3/c11-10(12,13)7-2-1-3-8(6-7)16-5-4-9(14)15-16/h1-3,6H,4-5H2,(H2,14,15)
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n/an/a 750n/an/an/an/an/an/a



Sankyo Company Ltd.

Curated by ChEMBL


Assay Description
Evaluated for inhibition of the formation and release of 5-lipoxygenase in isolated guinea pig ileum


J Med Chem 33: 1491-6 (1990)


BindingDB Entry DOI: 10.7270/Q2NG4PM6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)
BDBM50000540
PNG
(1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazo...)
Show SMILES NC1=NN(CC1)c1cccc(c1)C(F)(F)F |t:1|
Show InChI InChI=1S/C10H10F3N3/c11-10(12,13)7-2-1-3-8(6-7)16-5-4-9(14)15-16/h1-3,6H,4-5H2,(H2,14,15)
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n/an/a 800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against intact rat PMNL, PGE-2 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
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50000540
PNG
(1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazo...)
Show SMILES NC1=NN(CC1)c1cccc(c1)C(F)(F)F |t:1|
Show InChI InChI=1S/C10H10F3N3/c11-10(12,13)7-2-1-3-8(6-7)16-5-4-9(14)15-16/h1-3,6H,4-5H2,(H2,14,15)
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n/an/a 890n/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 0.72-1.07


J Med Chem 30: 2216-21 (1988)


BindingDB Entry DOI: 10.7270/Q27M08JG
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50000540
PNG
(1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazo...)
Show SMILES NC1=NN(CC1)c1cccc(c1)C(F)(F)F |t:1|
Show InChI InChI=1S/C10H10F3N3/c11-10(12,13)7-2-1-3-8(6-7)16-5-4-9(14)15-16/h1-3,6H,4-5H2,(H2,14,15)
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n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat basophilic leukemia cell 5-lipoxygenase


Bioorg Med Chem Lett 3: 711-716 (1993)


Article DOI: 10.1016/S0960-894X(01)81260-9
BindingDB Entry DOI: 10.7270/Q2SJ1M3F
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50000540
PNG
(1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazo...)
Show SMILES NC1=NN(CC1)c1cccc(c1)C(F)(F)F |t:1|
Show InChI InChI=1S/C10H10F3N3/c11-10(12,13)7-2-1-3-8(6-7)16-5-4-9(14)15-16/h1-3,6H,4-5H2,(H2,14,15)
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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 inhibition of 5-lipoxygenase (5-lo) from the 20000 g supernatant of RBI-1 cells


J Med Chem 34: 2158-65 (1991)


BindingDB Entry DOI: 10.7270/Q2NS0SWM
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50000540
PNG
(1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazo...)
Show SMILES NC1=NN(CC1)c1cccc(c1)C(F)(F)F |t:1|
Show InChI InChI=1S/C10H10F3N3/c11-10(12,13)7-2-1-3-8(6-7)16-5-4-9(14)15-16/h1-3,6H,4-5H2,(H2,14,15)
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n/an/a 1.30E+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)


BindingDB Entry DOI: 10.7270/Q2QN67BB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Ovis aries (Sheep))
BDBM50000540
PNG
(1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazo...)
Show SMILES NC1=NN(CC1)c1cccc(c1)C(F)(F)F |t:1|
Show InChI InChI=1S/C10H10F3N3/c11-10(12,13)7-2-1-3-8(6-7)16-5-4-9(14)15-16/h1-3,6H,4-5H2,(H2,14,15)
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n/an/a 1.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ovine seminal vesicle prostaglandin synthetase


Bioorg Med Chem Lett 3: 711-716 (1993)


Article DOI: 10.1016/S0960-894X(01)81260-9
BindingDB Entry DOI: 10.7270/Q2SJ1M3F
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50000540
PNG
(1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazo...)
Show SMILES NC1=NN(CC1)c1cccc(c1)C(F)(F)F |t:1|
Show InChI InChI=1S/C10H10F3N3/c11-10(12,13)7-2-1-3-8(6-7)16-5-4-9(14)15-16/h1-3,6H,4-5H2,(H2,14,15)
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n/an/a 1.30E+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)


BindingDB Entry DOI: 10.7270/Q25M668Q
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50000540
PNG
(1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazo...)
Show SMILES NC1=NN(CC1)c1cccc(c1)C(F)(F)F |t:1|
Show InChI InChI=1S/C10H10F3N3/c11-10(12,13)7-2-1-3-8(6-7)16-5-4-9(14)15-16/h1-3,6H,4-5H2,(H2,14,15)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Molecular Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in rat RBL-1 cells


J Med Chem 33: 1163-70 (1990)


BindingDB Entry DOI: 10.7270/Q2S75F9G
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50000540
PNG
(1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazo...)
Show SMILES NC1=NN(CC1)c1cccc(c1)C(F)(F)F |t:1|
Show InChI InChI=1S/C10H10F3N3/c11-10(12,13)7-2-1-3-8(6-7)16-5-4-9(14)15-16/h1-3,6H,4-5H2,(H2,14,15)
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n/an/a 2.00E+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
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50000540
PNG
(1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazo...)
Show SMILES NC1=NN(CC1)c1cccc(c1)C(F)(F)F |t:1|
Show InChI InChI=1S/C10H10F3N3/c11-10(12,13)7-2-1-3-8(6-7)16-5-4-9(14)15-16/h1-3,6H,4-5H2,(H2,14,15)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Centre de Recherches de Vitry

Curated by ChEMBL


Assay Description
Iin vitro inhibition of 5-lipoxygenase activity in rat basophil leukemia type 1(RBL1) cell homogenates, (reduction of [14C]-5-HETE formation)


J Med Chem 33: 2744-9 (1990)


BindingDB Entry DOI: 10.7270/Q2MK6BVP
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50000540
PNG
(1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazo...)
Show SMILES NC1=NN(CC1)c1cccc(c1)C(F)(F)F |t:1|
Show InChI InChI=1S/C10H10F3N3/c11-10(12,13)7-2-1-3-8(6-7)16-5-4-9(14)15-16/h1-3,6H,4-5H2,(H2,14,15)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against 5-lipoxygenase in human polymorphonuclear leukocytes[PMNS]


J Med Chem 35: 2501-24 (1992)


BindingDB Entry DOI: 10.7270/Q23B60R4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50000540
PNG
(1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazo...)
Show SMILES NC1=NN(CC1)c1cccc(c1)C(F)(F)F |t:1|
Show InChI InChI=1S/C10H10F3N3/c11-10(12,13)7-2-1-3-8(6-7)16-5-4-9(14)15-16/h1-3,6H,4-5H2,(H2,14,15)
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n/an/a 4.90E+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
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50000540
PNG
(1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazo...)
Show SMILES NC1=NN(CC1)c1cccc(c1)C(F)(F)F |t:1|
Show InChI InChI=1S/C10H10F3N3/c11-10(12,13)7-2-1-3-8(6-7)16-5-4-9(14)15-16/h1-3,6H,4-5H2,(H2,14,15)
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n/an/a 5.00E+3n/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)


BindingDB Entry DOI: 10.7270/Q2RV0MPG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)
BDBM50000540
PNG
(1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazo...)
Show SMILES NC1=NN(CC1)c1cccc(c1)C(F)(F)F |t:1|
Show InChI InChI=1S/C10H10F3N3/c11-10(12,13)7-2-1-3-8(6-7)16-5-4-9(14)15-16/h1-3,6H,4-5H2,(H2,14,15)
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n/an/a 5.00E+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)


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


(Rattus norvegicus)
BDBM50000540
PNG
(1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazo...)
Show SMILES NC1=NN(CC1)c1cccc(c1)C(F)(F)F |t:1|
Show InChI InChI=1S/C10H10F3N3/c11-10(12,13)7-2-1-3-8(6-7)16-5-4-9(14)15-16/h1-3,6H,4-5H2,(H2,14,15)
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n/an/a 5.60E+3n/an/an/an/an/an/a



OXIS International, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase obtained from rat basophilic leukemia cells


J Med Chem 41: 420-7 (1998)


Article DOI: 10.1021/jm970034q
BindingDB Entry DOI: 10.7270/Q2JD4VW7
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))
BDBM50000540
PNG
(1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazo...)
Show SMILES NC1=NN(CC1)c1cccc(c1)C(F)(F)F |t:1|
Show InChI InChI=1S/C10H10F3N3/c11-10(12,13)7-2-1-3-8(6-7)16-5-4-9(14)15-16/h1-3,6H,4-5H2,(H2,14,15)
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n/an/a 5.80E+3n/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
Prostaglandin G/H synthase 1/2


(RAT)
BDBM50000540
PNG
(1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazo...)
Show SMILES NC1=NN(CC1)c1cccc(c1)C(F)(F)F |t:1|
Show InChI InChI=1S/C10H10F3N3/c11-10(12,13)7-2-1-3-8(6-7)16-5-4-9(14)15-16/h1-3,6H,4-5H2,(H2,14,15)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Centre de Recherches de Vitry

Curated by ChEMBL


Assay Description
In vitro for prostaglandin G/H synthase inhibitory activity against rat basophil leukemia type 1 cell homogenates, by measuring the radioactivity of ...


J Med Chem 33: 2744-9 (1990)


BindingDB Entry DOI: 10.7270/Q2MK6BVP
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50000540
PNG
(1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazo...)
Show SMILES NC1=NN(CC1)c1cccc(c1)C(F)(F)F |t:1|
Show InChI InChI=1S/C10H10F3N3/c11-10(12,13)7-2-1-3-8(6-7)16-5-4-9(14)15-16/h1-3,6H,4-5H2,(H2,14,15)
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n/an/a 7.60E+3n/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
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))
BDBM50000540
PNG
(1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazo...)
Show SMILES NC1=NN(CC1)c1cccc(c1)C(F)(F)F |t:1|
Show InChI InChI=1S/C10H10F3N3/c11-10(12,13)7-2-1-3-8(6-7)16-5-4-9(14)15-16/h1-3,6H,4-5H2,(H2,14,15)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against Prostaglandin G/H synthase in human polymorphonuclear leukocytes[PMNS]


J Med Chem 35: 2501-24 (1992)


BindingDB Entry DOI: 10.7270/Q23B60R4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50000540
PNG
(1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazo...)
Show SMILES NC1=NN(CC1)c1cccc(c1)C(F)(F)F |t:1|
Show InChI InChI=1S/C10H10F3N3/c11-10(12,13)7-2-1-3-8(6-7)16-5-4-9(14)15-16/h1-3,6H,4-5H2,(H2,14,15)
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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 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
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50000540
PNG
(1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazo...)
Show SMILES NC1=NN(CC1)c1cccc(c1)C(F)(F)F |t:1|
Show InChI InChI=1S/C10H10F3N3/c11-10(12,13)7-2-1-3-8(6-7)16-5-4-9(14)15-16/h1-3,6H,4-5H2,(H2,14,15)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Centre de Recherches de Vitry

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase in rat (peritoneal assay)


J Med Chem 33: 2744-9 (1990)


BindingDB Entry DOI: 10.7270/Q2MK6BVP
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50000540
PNG
(1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazo...)
Show SMILES NC1=NN(CC1)c1cccc(c1)C(F)(F)F |t:1|
Show InChI InChI=1S/C10H10F3N3/c11-10(12,13)7-2-1-3-8(6-7)16-5-4-9(14)15-16/h1-3,6H,4-5H2,(H2,14,15)
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n/an/a 2.00E+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)


BindingDB Entry DOI: 10.7270/Q28G8MXH
More data for this
Ligand-Target Pair
Phospholipase A2


(Rattus norvegicus)
BDBM50000540
PNG
(1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazo...)
Show SMILES NC1=NN(CC1)c1cccc(c1)C(F)(F)F |t:1|
Show InChI InChI=1S/C10H10F3N3/c11-10(12,13)7-2-1-3-8(6-7)16-5-4-9(14)15-16/h1-3,6H,4-5H2,(H2,14,15)
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n/an/a>2.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against polymorphonuclear cell phospholipase-A2 in rat


Bioorg Med Chem Lett 3: 711-716 (1993)


Article DOI: 10.1016/S0960-894X(01)81260-9
BindingDB Entry DOI: 10.7270/Q2SJ1M3F
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))
BDBM50000540
PNG
(1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazo...)
Show SMILES NC1=NN(CC1)c1cccc(c1)C(F)(F)F |t:1|
Show InChI InChI=1S/C10H10F3N3/c11-10(12,13)7-2-1-3-8(6-7)16-5-4-9(14)15-16/h1-3,6H,4-5H2,(H2,14,15)
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n/an/a 9.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Association rate constant of the compound was determined against 3-dehydroquinate synthase


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
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50000540
PNG
(1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazo...)
Show SMILES NC1=NN(CC1)c1cccc(c1)C(F)(F)F |t:1|
Show InChI InChI=1S/C10H10F3N3/c11-10(12,13)7-2-1-3-8(6-7)16-5-4-9(14)15-16/h1-3,6H,4-5H2,(H2,14,15)
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n/an/a 2.13E+5n/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