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PubMed code 1903450

Compile data set for download or QSAR
Found 32 hits of Enzyme Inhibition Constant Data   
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
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50009932
PNG
(4-Ethylsulfanyl-1-phenyl-pyrazolidin-3-one | CHEMB...)
Show SMILES CCSC1CN(NC1=O)c1ccccc1
Show InChI InChI=1S/C11H14N2OS/c1-2-15-10-8-13(12-11(10)14)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,12,14)
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n/an/a 60n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
In vitro inhibition of rat 5-Lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50009954
PNG
(1-Phenyl-4-(pyridin-2-ylsulfanyl)-pyrazolidin-3-on...)
Show SMILES O=C1NN(CC1Sc1ccccn1)c1ccccc1
Show InChI InChI=1S/C14H13N3OS/c18-14-12(19-13-8-4-5-9-15-13)10-17(16-14)11-6-2-1-3-7-11/h1-9,12H,10H2,(H,16,18)
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Sterling Research Group

Curated by ChEMBL


Assay Description
In vitro inhibition of rat 5-Lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50009937
PNG
(1-Phenyl-4-thiophen-2-ylmethyl-pyrazolidin-3-one |...)
Show SMILES O=C1NN(CC1Cc1cccs1)c1ccccc1
Show InChI InChI=1S/C14H14N2OS/c17-14-11(9-13-7-4-8-18-13)10-16(15-14)12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,15,17)
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Sterling Research Group

Curated by ChEMBL


Assay Description
In vitro inhibition of rat 5-Lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50009950
PNG
(4-(2-Ethoxy-ethyl)-1-phenyl-pyrazolidin-3-one | CH...)
Show SMILES CCOCCC1CN(NC1=O)c1ccccc1
Show InChI InChI=1S/C13H18N2O2/c1-2-17-9-8-11-10-15(14-13(11)16)12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3,(H,14,16)
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Sterling Research Group

Curated by ChEMBL


Assay Description
In vitro inhibition of rat 5-Lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50009958
PNG
(4-Benzylsulfanyl-1-phenyl-pyrazolidin-3-one | CHEM...)
Show SMILES O=C1NN(CC1SCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H16N2OS/c19-16-15(20-12-13-7-3-1-4-8-13)11-18(17-16)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,17,19)
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Sterling Research Group

Curated by ChEMBL


Assay Description
In vitro inhibition of rat 5-Lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50009953
PNG
(1-(3,4-Dichloro-phenyl)-4-(2-methoxy-ethyl)-pyrazo...)
Show SMILES COCCC1CN(NC1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C12H14Cl2N2O2/c1-18-5-4-8-7-16(15-12(8)17)9-2-3-10(13)11(14)6-9/h2-3,6,8H,4-5,7H2,1H3,(H,15,17)
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n/an/a 190n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
In vitro inhibition of rat 5-Lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50009949
PNG
(4-(2-Methoxy-ethyl)-1-(3-trifluoromethyl-phenyl)-p...)
Show SMILES COCCC1CN(NC1=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C13H15F3N2O2/c1-20-6-5-9-8-18(17-12(9)19)11-4-2-3-10(7-11)13(14,15)16/h2-4,7,9H,5-6,8H2,1H3,(H,17,19)
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Sterling Research Group

Curated by ChEMBL


Assay Description
In vitro inhibition of rat 5-Lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50009955
PNG
(1-(4-Chloro-phenyl)-4-(2-methoxy-ethyl)-pyrazolidi...)
Show SMILES COCCC1CN(NC1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C12H15ClN2O2/c1-17-7-6-9-8-15(14-12(9)16)11-4-2-10(13)3-5-11/h2-5,9H,6-8H2,1H3,(H,14,16)
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Sterling Research Group

Curated by ChEMBL


Assay Description
In vitro inhibition of rat 5-Lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50009943
PNG
(1-Phenyl-4-propoxymethyl-pyrazolidin-3-one | CHEMB...)
Show SMILES CCCOCC1CN(NC1=O)c1ccccc1
Show InChI InChI=1S/C13H18N2O2/c1-2-8-17-10-11-9-15(14-13(11)16)12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3,(H,14,16)
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Sterling Research Group

Curated by ChEMBL


Assay Description
In vitro inhibition of rat 5-Lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50009939
PNG
(4-Ethoxymethyl-1-phenyl-pyrazolidin-3-one | CHEMBL...)
Show SMILES CCOCC1CN(NC1=O)c1ccccc1
Show InChI InChI=1S/C12H16N2O2/c1-2-16-9-10-8-14(13-12(10)15)11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,13,15)
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Sterling Research Group

Curated by ChEMBL


Assay Description
In vitro inhibition of rat 5-Lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50009940
PNG
(4-Methylsulfanyl-1-phenyl-pyrazolidin-3-one | CHEM...)
Show SMILES CSC1CN(NC1=O)c1ccccc1
Show InChI InChI=1S/C10H12N2OS/c1-14-9-7-12(11-10(9)13)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,11,13)
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n/an/a 320n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
In vitro inhibition of rat 5-Lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50009931
PNG
(4-(2-Methoxy-ethyl)-1-phenyl-pyrazolidin-3-one | C...)
Show SMILES COCCC1CN(NC1=O)c1ccccc1
Show InChI InChI=1S/C12H16N2O2/c1-16-8-7-10-9-14(13-12(10)15)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,13,15)
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Sterling Research Group

Curated by ChEMBL


Assay Description
In vitro inhibition of rat 5-Lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50009934
PNG
(4-(2-Methoxy-ethyl)-1-phenyl-tetrahydro-pyridazin-...)
Show SMILES COCCC1CCN(NC1=O)c1ccccc1
Show InChI InChI=1S/C13H18N2O2/c1-17-10-8-11-7-9-15(14-13(11)16)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,14,16)
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n/an/a 440n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
In vitro inhibition of rat 5-Lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50009931
PNG
(4-(2-Methoxy-ethyl)-1-phenyl-pyrazolidin-3-one | C...)
Show SMILES COCCC1CN(NC1=O)c1ccccc1
Show InChI InChI=1S/C12H16N2O2/c1-16-8-7-10-9-14(13-12(10)15)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,13,15)
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Sterling Research Group

Curated by ChEMBL


Assay Description
In vitro inhibition of rat 5-Lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50009956
PNG
(4-(2-Methoxy-ethyl)-5-methyl-1-phenyl-pyrazolidin-...)
Show SMILES COCCC1C(C)N(NC1=O)c1ccccc1
Show InChI InChI=1S/C13H18N2O2/c1-10-12(8-9-17-2)13(16)14-15(10)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,14,16)
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Sterling Research Group

Curated by ChEMBL


Assay Description
In vitro inhibition of rat 5-Lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50009944
PNG
(1-(4-Benzyloxy-phenyl)-4-(2-methoxy-ethyl)-pyrazol...)
Show SMILES COCCC1CN(NC1=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C19H22N2O3/c1-23-12-11-16-13-21(20-19(16)22)17-7-9-18(10-8-17)24-14-15-5-3-2-4-6-15/h2-10,16H,11-14H2,1H3,(H,20,22)
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Sterling Research Group

Curated by ChEMBL


Assay Description
In vitro inhibition of rat 5-Lipoxygenase


Citation and Details
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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Sterling Research Group

Curated by ChEMBL


Assay Description
In vitro inhibition of rat 5-Lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50009948
PNG
(4-(2-Methoxy-ethoxymethyl)-1-phenyl-pyrazolidin-3-...)
Show SMILES COCCOCC1CN(NC1=O)c1ccccc1
Show InChI InChI=1S/C13H18N2O3/c1-17-7-8-18-10-11-9-15(14-13(11)16)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,14,16)
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Sterling Research Group

Curated by ChEMBL


Assay Description
In vitro inhibition of rat 5-Lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50009941
PNG
(1-Phenyl-tetrahydro-pyridazin-3-one | CHEMBL30110)
Show SMILES O=C1CCCN(N1)c1ccccc1
Show InChI InChI=1S/C10H12N2O/c13-10-7-4-8-12(11-10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,13)
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Sterling Research Group

Curated by ChEMBL


Assay Description
In vitro inhibition of rat 5-Lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50009957
PNG
(4-Methoxymethyl-1-phenyl-pyrazolidin-3-one | CHEMB...)
Show SMILES COCC1CN(NC1=O)c1ccccc1
Show InChI InChI=1S/C11H14N2O2/c1-15-8-9-7-13(12-11(9)14)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,12,14)
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Sterling Research Group

Curated by ChEMBL


Assay Description
In vitro inhibition of rat 5-Lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50009942
PNG
(4-Methoxymethyl-4-methyl-1-phenyl-pyrazolidin-3-on...)
Show SMILES COCC1(C)CN(NC1=O)c1ccccc1
Show InChI InChI=1S/C12H16N2O2/c1-12(9-16-2)8-14(13-11(12)15)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,13,15)
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Sterling Research Group

Curated by ChEMBL


Assay Description
In vitro inhibition of rat 5-Lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50009952
PNG
(4-(2-Dimethylamino-ethyl)-1-phenyl-pyrazolidin-3-o...)
Show SMILES CN(C)CCC1CN(NC1=O)c1ccccc1
Show InChI InChI=1S/C13H19N3O/c1-15(2)9-8-11-10-16(14-13(11)17)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,14,17)
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Sterling Research Group

Curated by ChEMBL


Assay Description
In vitro inhibition of rat 5-Lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50009947
PNG
(4-(1-Hydroxy-1-methyl-ethyl)-1-phenyl-pyrazolidin-...)
Show SMILES CC(C)(O)C1CN(NC1=O)c1ccccc1
Show InChI InChI=1S/C12H16N2O2/c1-12(2,16)10-8-14(13-11(10)15)9-6-4-3-5-7-9/h3-7,10,16H,8H2,1-2H3,(H,13,15)
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Sterling Research Group

Curated by ChEMBL


Assay Description
In vitro inhibition of rat 5-Lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50009959
PNG
(4-(2-Methoxy-ethyl)-1-phenyl-1H-pyrazol-3-ol | CHE...)
Show SMILES COCCc1cn([nH]c1=O)-c1ccccc1
Show InChI InChI=1S/C12H14N2O2/c1-16-8-7-10-9-14(13-12(10)15)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,13,15)
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Sterling Research Group

Curated by ChEMBL


Assay Description
In vitro inhibition of rat 5-Lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50009945
PNG
(4-Methoxymethyl-1-phenyl-1H-pyrazol-3-ol | CHEMBL4...)
Show SMILES COCc1cn([nH]c1=O)-c1ccccc1
Show InChI InChI=1S/C11H12N2O2/c1-15-8-9-7-13(12-11(9)14)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,12,14)
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Sterling Research Group

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Assay Description
In vitro inhibition of rat 5-Lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50009935
PNG
(4-(2-Methoxy-ethyl)-5,5-dimethyl-1-phenyl-pyrazoli...)
Show SMILES COCCC1C(=O)NN(c2ccccc2)C1(C)C
Show InChI InChI=1S/C14H20N2O2/c1-14(2)12(9-10-18-3)13(17)15-16(14)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,15,17)
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Sterling Research Group

Curated by ChEMBL


Assay Description
In vitro inhibition of rat 5-Lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50009936
PNG
(4-Methoxymethyl-2-methyl-1-phenyl-pyrazolidin-3-on...)
Show SMILES COCC1CN(N(C)C1=O)c1ccccc1
Show InChI InChI=1S/C12H16N2O2/c1-13-12(15)10(9-16-2)8-14(13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
In vitro inhibition of rat 5-Lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50009951
PNG
(4-(2-Hydroxy-ethyl)-1-phenyl-pyrazolidin-3-one | C...)
Show SMILES OCCC1CN(NC1=O)c1ccccc1
Show InChI InChI=1S/C11H14N2O2/c14-7-6-9-8-13(12-11(9)15)10-4-2-1-3-5-10/h1-5,9,14H,6-8H2,(H,12,15)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
In vitro inhibition of rat 5-Lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50009938
PNG
(4-(2-Methoxy-ethyl)-1-p-tolyl-pyrazolidin-3-one | ...)
Show SMILES COCCC1CN(NC1=O)c1ccc(C)cc1
Show InChI InChI=1S/C13H18N2O2/c1-10-3-5-12(6-4-10)15-9-11(7-8-17-2)13(16)14-15/h3-6,11H,7-9H2,1-2H3,(H,14,16)
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n/an/a 1.08E+3n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
In vitro inhibition of rat 5-Lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50009933
PNG
(4-(2-Methoxy-ethyl)-1-(4-methoxy-phenyl)-pyrazolid...)
Show SMILES COCCC1CN(NC1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C13H18N2O3/c1-17-8-7-10-9-15(14-13(10)16)11-3-5-12(18-2)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,14,16)
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n/an/a 1.46E+3n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
In vitro inhibition of rat 5-Lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 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
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


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50009946
PNG
(1-(4-Hydroxy-phenyl)-4-(2-methoxy-ethyl)-pyrazolid...)
Show SMILES COCCC1CN(NC1=O)c1ccc(O)cc1
Show InChI InChI=1S/C12H16N2O3/c1-17-7-6-9-8-14(13-12(9)16)10-2-4-11(15)5-3-10/h2-5,9,15H,6-8H2,1H3,(H,13,16)
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n/an/a 5.13E+3n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
In vitro inhibition of rat 5-Lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%