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PubMed code 24697244

Compile data set for download or QSAR
Found 23 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


(Homo sapiens (Human))
BDBM50012188
PNG
(6BIO)
Show SMILES O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12
Show InChI InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,18,22H,(H,19,21)/b15-13-,20-14+
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n/an/a 500n/an/an/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in fMLP-stimulated human monocytes assessed as reduction in HETE formation


J Med Chem 57: 3715-23 (2014)


Article DOI: 10.1021/jm401740w
BindingDB Entry DOI: 10.7270/Q2NS0WGG
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50000541
PNG
((+-)-1-(1-Benzo[b]thien-2-ylethyl)-1-hydroxyurea |...)
Show SMILES CC(N(O)C(N)=O)c1cc2ccccc2s1
Show InChI InChI=1/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)
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n/an/a 600n/an/an/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LO assessed as product formation by cell-free assay relative to control


J Med Chem 57: 3715-23 (2014)


Article DOI: 10.1021/jm401740w
BindingDB Entry DOI: 10.7270/Q2NS0WGG
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50012188
PNG
(6BIO)
Show SMILES O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12
Show InChI InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,18,22H,(H,19,21)/b15-13-,20-14+
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n/an/a 1.50E+3n/an/an/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LO assessed as product formation by cell-free assay relative to control


J Med Chem 57: 3715-23 (2014)


Article DOI: 10.1021/jm401740w
BindingDB Entry DOI: 10.7270/Q2NS0WGG
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50012188
PNG
(6BIO)
Show SMILES O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12
Show InChI InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,18,22H,(H,19,21)/b15-13-,20-14+
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n/an/a 1.50E+3n/an/an/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human neutrophils assessed as product formation by cell-intact assay relative to control in presence of 2.5 uM A23187 ionophore


J Med Chem 57: 3715-23 (2014)


Article DOI: 10.1021/jm401740w
BindingDB Entry DOI: 10.7270/Q2NS0WGG
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50012188
PNG
(6BIO)
Show SMILES O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12
Show InChI InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,18,22H,(H,19,21)/b15-13-,20-14+
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n/an/a 1.50E+3n/an/an/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in LPS-stimulated human neutrophils assessed as reduction in HETE formation


J Med Chem 57: 3715-23 (2014)


Article DOI: 10.1021/jm401740w
BindingDB Entry DOI: 10.7270/Q2NS0WGG
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50012188
PNG
(6BIO)
Show SMILES O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12
Show InChI InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,18,22H,(H,19,21)/b15-13-,20-14+
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n/an/a 1.50E+3n/an/an/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human neutrophils assessed as product formation by cell-intact assay relative to control in presence of 20 uM A23187/AA ionopho...


J Med Chem 57: 3715-23 (2014)


Article DOI: 10.1021/jm401740w
BindingDB Entry DOI: 10.7270/Q2NS0WGG
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50000541
PNG
((+-)-1-(1-Benzo[b]thien-2-ylethyl)-1-hydroxyurea |...)
Show SMILES CC(N(O)C(N)=O)c1cc2ccccc2s1
Show InChI InChI=1/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human neutrophils assessed as product formation by cell-intact assay relative to control in presence of 2.5 uM A23187 ionophore


J Med Chem 57: 3715-23 (2014)


Article DOI: 10.1021/jm401740w
BindingDB Entry DOI: 10.7270/Q2NS0WGG
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50012184
PNG
(CHEMBL1092509)
Show SMILES O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2c1cccc2Br
Show InChI InChI=1S/C16H10BrN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18,22H,(H,19,21)/b15-12-,20-14+
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n/an/a 1.70E+3n/an/an/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human neutrophils assessed as product formation by cell-intact assay relative to control in presence of 2.5 uM A23187 ionophore


J Med Chem 57: 3715-23 (2014)


Article DOI: 10.1021/jm401740w
BindingDB Entry DOI: 10.7270/Q2NS0WGG
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50012187
PNG
(INDIRUBIN 2)
Show SMILES O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2ccc(Br)cc12
Show InChI InChI=1S/C16H10BrN3O2/c17-8-5-6-12-10(7-8)13(16(21)19-12)15-14(20-22)9-3-1-2-4-11(9)18-15/h1-7,18,22H,(H,19,21)/b15-13-,20-14+
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n/an/a 2.60E+3n/an/an/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human neutrophils assessed as product formation by cell-intact assay relative to control in presence of 2.5 uM A23187 ionophore


J Med Chem 57: 3715-23 (2014)


Article DOI: 10.1021/jm401740w
BindingDB Entry DOI: 10.7270/Q2NS0WGG
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50000541
PNG
((+-)-1-(1-Benzo[b]thien-2-ylethyl)-1-hydroxyurea |...)
Show SMILES CC(N(O)C(N)=O)c1cc2ccccc2s1
Show InChI InChI=1/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human neutrophils assessed as product formation by cell-intact assay relative to control in presence of 20 uM A23187/AA ionopho...


J Med Chem 57: 3715-23 (2014)


Article DOI: 10.1021/jm401740w
BindingDB Entry DOI: 10.7270/Q2NS0WGG
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50012185
PNG
(CHEMBL3265230)
Show SMILES O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2c1cccc2Cl
Show InChI InChI=1S/C16H10ClN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18,22H,(H,19,21)/b15-12-,20-14+
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n/an/a 3.10E+3n/an/an/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human neutrophils assessed as product formation by cell-intact assay relative to control in presence of 20 uM A23187/AA ionopho...


J Med Chem 57: 3715-23 (2014)


Article DOI: 10.1021/jm401740w
BindingDB Entry DOI: 10.7270/Q2NS0WGG
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50012187
PNG
(INDIRUBIN 2)
Show SMILES O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2ccc(Br)cc12
Show InChI InChI=1S/C16H10BrN3O2/c17-8-5-6-12-10(7-8)13(16(21)19-12)15-14(20-22)9-3-1-2-4-11(9)18-15/h1-7,18,22H,(H,19,21)/b15-13-,20-14+
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n/an/a 3.30E+3n/an/an/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human neutrophils assessed as product formation by cell-intact assay relative to control in presence of 20 uM A23187/AA ionopho...


J Med Chem 57: 3715-23 (2014)


Article DOI: 10.1021/jm401740w
BindingDB Entry DOI: 10.7270/Q2NS0WGG
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50012186
PNG
(CHEMBL3265231)
Show SMILES O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2c1cccc2F
Show InChI InChI=1S/C16H10FN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18,22H,(H,19,21)/b15-12-,20-14+
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n/an/a 3.30E+3n/an/an/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human neutrophils assessed as product formation by cell-intact assay relative to control in presence of 20 uM A23187/AA ionopho...


J Med Chem 57: 3715-23 (2014)


Article DOI: 10.1021/jm401740w
BindingDB Entry DOI: 10.7270/Q2NS0WGG
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50012184
PNG
(CHEMBL1092509)
Show SMILES O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2c1cccc2Br
Show InChI InChI=1S/C16H10BrN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18,22H,(H,19,21)/b15-12-,20-14+
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n/an/a 3.60E+3n/an/an/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human neutrophils assessed as product formation by cell-intact assay relative to control in presence of 20 uM A23187/AA ionopho...


J Med Chem 57: 3715-23 (2014)


Article DOI: 10.1021/jm401740w
BindingDB Entry DOI: 10.7270/Q2NS0WGG
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50012186
PNG
(CHEMBL3265231)
Show SMILES O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2c1cccc2F
Show InChI InChI=1S/C16H10FN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18,22H,(H,19,21)/b15-12-,20-14+
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n/an/a 3.70E+3n/an/an/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LO assessed as product formation by cell-free assay relative to control


J Med Chem 57: 3715-23 (2014)


Article DOI: 10.1021/jm401740w
BindingDB Entry DOI: 10.7270/Q2NS0WGG
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50012185
PNG
(CHEMBL3265230)
Show SMILES O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2c1cccc2Cl
Show InChI InChI=1S/C16H10ClN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18,22H,(H,19,21)/b15-12-,20-14+
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n/an/a 4.90E+3n/an/an/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human neutrophils assessed as product formation by cell-intact assay relative to control in presence of 2.5 uM A23187 ionophore


J Med Chem 57: 3715-23 (2014)


Article DOI: 10.1021/jm401740w
BindingDB Entry DOI: 10.7270/Q2NS0WGG
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50012185
PNG
(CHEMBL3265230)
Show SMILES O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2c1cccc2Cl
Show InChI InChI=1S/C16H10ClN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18,22H,(H,19,21)/b15-12-,20-14+
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n/an/a 4.90E+3n/an/an/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LO assessed as product formation by cell-free assay relative to control


J Med Chem 57: 3715-23 (2014)


Article DOI: 10.1021/jm401740w
BindingDB Entry DOI: 10.7270/Q2NS0WGG
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50012186
PNG
(CHEMBL3265231)
Show SMILES O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2c1cccc2F
Show InChI InChI=1S/C16H10FN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18,22H,(H,19,21)/b15-12-,20-14+
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n/an/a 5.00E+3n/an/an/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human neutrophils assessed as product formation by cell-intact assay relative to control in presence of 2.5 uM A23187 ionophore


J Med Chem 57: 3715-23 (2014)


Article DOI: 10.1021/jm401740w
BindingDB Entry DOI: 10.7270/Q2NS0WGG
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50012187
PNG
(INDIRUBIN 2)
Show SMILES O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2ccc(Br)cc12
Show InChI InChI=1S/C16H10BrN3O2/c17-8-5-6-12-10(7-8)13(16(21)19-12)15-14(20-22)9-3-1-2-4-11(9)18-15/h1-7,18,22H,(H,19,21)/b15-13-,20-14+
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n/an/a 5.60E+3n/an/an/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LO assessed as product formation by cell-free assay relative to control


J Med Chem 57: 3715-23 (2014)


Article DOI: 10.1021/jm401740w
BindingDB Entry DOI: 10.7270/Q2NS0WGG
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50012184
PNG
(CHEMBL1092509)
Show SMILES O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2c1cccc2Br
Show InChI InChI=1S/C16H10BrN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18,22H,(H,19,21)/b15-12-,20-14+
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n/an/a 5.80E+3n/an/an/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LO assessed as product formation by cell-free assay relative to control


J Med Chem 57: 3715-23 (2014)


Article DOI: 10.1021/jm401740w
BindingDB Entry DOI: 10.7270/Q2NS0WGG
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50132003
PNG
((Z)-1H,1''H-[2,3'']Biindolylidene-3,2''-dione 3-ox...)
Show SMILES Oc1[nH]c2ccccc2c1-c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17-18,20H
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PubMed
n/an/a 8.20E+3n/an/an/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human neutrophils assessed as product formation by cell-intact assay relative to control in presence of 20 uM A23187/AA ionopho...


J Med Chem 57: 3715-23 (2014)


Article DOI: 10.1021/jm401740w
BindingDB Entry DOI: 10.7270/Q2NS0WGG
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50132003
PNG
((Z)-1H,1''H-[2,3'']Biindolylidene-3,2''-dione 3-ox...)
Show SMILES Oc1[nH]c2ccccc2c1-c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17-18,20H
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PubMed
n/an/a 1.11E+4n/an/an/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human neutrophils assessed as product formation by cell-intact assay relative to control in presence of 2.5 uM A23187 ionophore


J Med Chem 57: 3715-23 (2014)


Article DOI: 10.1021/jm401740w
BindingDB Entry DOI: 10.7270/Q2NS0WGG
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50132003
PNG
((Z)-1H,1''H-[2,3'']Biindolylidene-3,2''-dione 3-ox...)
Show SMILES Oc1[nH]c2ccccc2c1-c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17-18,20H
PDB
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Article
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LO assessed as product formation by cell-free assay relative to control


J Med Chem 57: 3715-23 (2014)


Article DOI: 10.1021/jm401740w
BindingDB Entry DOI: 10.7270/Q2NS0WGG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%