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Compile Data Set for Download or QSAR
maximum 50k data
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
34
hits in this display
Target
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human))
Amira Pharmaceuticals
Curated by
ChEMBL
Ligand
BDBM50052018
(3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)
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Affinity Data
IC50: 0.5nM
Assay Description:
Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 10 mins by ELISA
More data for this Ligand-Target Pair
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Target
Cytochrome P450 2C9
(Homo sapiens (Human))
Amira Pharmaceuticals
Curated by
ChEMBL
Ligand
BDBM50029559
(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)
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Affinity Data
IC50: 0.5nM
Assay Description:
Inhibition of CYP2C9
More data for this Ligand-Target Pair
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Target
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human))
Amira Pharmaceuticals
Curated by
ChEMBL
Ligand
BDBM50052018
(3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 1nM
Assay Description:
Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 5 mins by ELISA in...
More data for this Ligand-Target Pair
Target Info
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Target
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human))
Amira Pharmaceuticals
Curated by
ChEMBL
Ligand
BDBM50052018
(3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 1nM
Assay Description:
Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 1 hr by ELISA in a...
More data for this Ligand-Target Pair
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Target
Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human))
Guru Nanak Dev University
Curated by
ChEMBL
Ligand
BDBM50029559
(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)
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Affinity Data
IC50: 1.60nM
Assay Description:
Inhibition of 5-LOX (unknown origin) using arachidonic acid as substrate after 5 mins by EIA
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Target
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human))
Amira Pharmaceuticals
Curated by
ChEMBL
Ligand
BDBM50029559
(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 1.60nM
Assay Description:
Inhibition of 5-lipoxygenase activating protein using human leukocyte membrane preparations
More data for this Ligand-Target Pair
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Target
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human))
Amira Pharmaceuticals
Curated by
ChEMBL
Ligand
BDBM50029559
(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)
Copy SMILES
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Affinity Data
IC50: 1.60nM
Assay Description:
Displacement of [125I]L-691831 from FLAP
More data for this Ligand-Target Pair
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Target
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human))
Amira Pharmaceuticals
Curated by
ChEMBL
Ligand
BDBM50052018
(3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 1.90nM
Assay Description:
Displacement of [3H]-3-[5-(pyrid-2-ylmethoxy)-3-tert-butylthio-1-benzylindol-2-yl]-2,2-dimethylpropionic acid from FLAP in human polymorphonuclear ce...
More data for this Ligand-Target Pair
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Target
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human))
Amira Pharmaceuticals
Curated by
ChEMBL
Ligand
BDBM50029559
(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)
Copy SMILES
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Affinity Data
IC50: 2nM
Assay Description:
Measuring the affinity of leukotriene synthesis inhibitor for 5-lipoxygenase activating protein by using [125I]-L-691,831 as radioligand.
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Target
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human))
Amira Pharmaceuticals
Curated by
ChEMBL
Ligand
BDBM50029559
(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 2nM
Assay Description:
The compound was tested for the inhibition of binding of [125I]- L- 691,831 binding to 5-lipoxygenase activating protein
More data for this Ligand-Target Pair
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Copy BDB DOI
Target
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human))
Amira Pharmaceuticals
Curated by
ChEMBL
Ligand
BDBM50029559
(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 2nM
Assay Description:
Displacement of [125I]-L-691831 from FLAP in human Leucocyte membrane incubated for 20 mins by radioactivity based gamma-scintillation counter assay
More data for this Ligand-Target Pair
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Copy BDB DOI
Target
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human))
Amira Pharmaceuticals
Curated by
ChEMBL
Ligand
BDBM50029559
(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 2nM
Assay Description:
Displacement of [3H]3-[5-(pyrid-2-ylmethoxy)-3-tert-butylthio-1-benzyl-indol-2-yl]-2,2-dimethylpropionic acid from FLAP in human polymorphonuclear ce...
More data for this Ligand-Target Pair
Target Info
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Copy BDB DOI
Target
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human))
Amira Pharmaceuticals
Curated by
ChEMBL
Ligand
BDBM50029559
(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)
Copy SMILES
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Affinity Data
IC50: 2.30nM
Assay Description:
Compound was tested for its binding activity towards 5-lipoxygenase activating protein (FLAP)
More data for this Ligand-Target Pair
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Target
Cytochrome P450 3A4
(Homo sapiens (Human))
Amira Pharmaceuticals
Curated by
ChEMBL
Ligand
BDBM50029559
(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)
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Affinity Data
IC50: 5.80nM
Assay Description:
Inhibition of CYP3A4
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Target Info
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Target
Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human))
Guru Nanak Dev University
Curated by
ChEMBL
Ligand
BDBM50052018
(3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 8nM
Assay Description:
Inhibition of calcium ionophore (A-23187)-stimulated LTB4 formation in human neutrophil assay
More data for this Ligand-Target Pair
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Target
Arachidonate 5-lipoxygenase-activating protein
(Rattus norvegicus)
Amira Pharmaceuticals
Curated by
ChEMBL
Ligand
BDBM50052018
(3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 10nM
Assay Description:
Inhibition of FLAP in rat whole blood assessed as inhibition of calcium ionophore A23187-induced LTB4 production preincubated for 4 hrs by ELISA
More data for this Ligand-Target Pair
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Target
Cytochrome P450 2D6
(Homo sapiens (Human))
Amira Pharmaceuticals
Curated by
ChEMBL
Ligand
BDBM50029559
(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)
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Affinity Data
IC50: 11nM
Assay Description:
Inhibition of CYP2D6
More data for this Ligand-Target Pair
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Target
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human))
Amira Pharmaceuticals
Curated by
ChEMBL
Ligand
BDBM50052018
(3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 12nM
Assay Description:
Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 3 hr by ELISA in p...
More data for this Ligand-Target Pair
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Copy BDB DOI
Target
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human))
Amira Pharmaceuticals
Curated by
ChEMBL
Ligand
BDBM50029559
(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 36nM
Assay Description:
Binding affinity to FLAP (unknown origin)
More data for this Ligand-Target Pair
Target Info
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MMDB
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Copy BDB DOI
Target
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human))
Amira Pharmaceuticals
Curated by
ChEMBL
Ligand
BDBM50052018
(3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 66nM
Assay Description:
Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 10 mins by ELISA i...
More data for this Ligand-Target Pair
Target Info
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MMDB
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KEGG
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Copy BDB DOI
Target
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human))
Amira Pharmaceuticals
Curated by
ChEMBL
Ligand
BDBM50052018
(3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 80nM
Assay Description:
Inhibition of FLAP in human whole blood assessed as inhibition of calcium ionophore A23187-induced LTB4 production preincubated for 11 hrs by ELISA
More data for this Ligand-Target Pair
Target Info
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Target
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human))
Amira Pharmaceuticals
Curated by
ChEMBL
Ligand
BDBM50052018
(3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 108nM
Assay Description:
Inhibition of FLAP in human whole blood assessed as inhibition of calcium ionophore A23187-induced LTB4 production preincubated for 5 hrs by ELISA
More data for this Ligand-Target Pair
Target Info
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MMDB
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KEGG
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Target
Arachidonate 5-lipoxygenase-activating protein
(Rattus norvegicus)
Amira Pharmaceuticals
Curated by
ChEMBL
Ligand
BDBM50052018
(3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)
Copy SMILES
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Affinity Data
IC50: 117nM
Assay Description:
Inhibition of FLAP in rat whole blood assessed as inhibition of calcium ionophore A23187-induced LTB4 production preincubated for 15 mins by ELISA
More data for this Ligand-Target Pair
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Target
Arachidonate 5-lipoxygenase-activating protein/Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human))
TBA
Curated by
ChEMBL
Ligand
BDBM50029559
(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)
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Affinity Data
IC50: 200nM
Assay Description:
Human whole blood was stimulated with calcium ionophore (A23187) and LTB 4 measured by enzyme immunoassay
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Target
Cytochrome P450 2C9
(Homo sapiens (Human))
Amira Pharmaceuticals
Curated by
ChEMBL
Ligand
BDBM50029559
(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)
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Affinity Data
IC50: 500nM
Assay Description:
Inhibition of CYP2C9
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Target
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human))
Amira Pharmaceuticals
Curated by
ChEMBL
Ligand
BDBM50052018
(3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 536nM
Assay Description:
Inhibition of FLAP in human whole blood assessed as inhibition of calcium ionophore A23187-induced LTB4 production preincubated for 15 mins by ELISA
More data for this Ligand-Target Pair
Target Info
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Target
Polyunsaturated fatty acid 5-lipoxygenase
(Rattus norvegicus)
TBA
Curated by
ChEMBL
Ligand
BDBM50029559
(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)
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Affinity Data
IC50: >2.00E+3nM
Assay Description:
Compound was tested for its inhibitory activity against 5-lipoxygenase in rat.
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Target
Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human))
Guru Nanak Dev University
Curated by
ChEMBL
Ligand
BDBM50029559
(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)
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Affinity Data
IC50: 5.00E+3nM
Assay Description:
Inhibition of oxidation of arachidonic acid by human 5-Lipoxygenase using spectrophotometric assay
More data for this Ligand-Target Pair
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Target
Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human))
Guru Nanak Dev University
Curated by
ChEMBL
Ligand
BDBM50029559
(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)
Copy SMILES
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Affinity Data
IC50: 5.00E+3nM
Assay Description:
In vitro potency against human 5-Lipoxygenase
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Target
Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human))
Guru Nanak Dev University
Curated by
ChEMBL
Ligand
BDBM50029559
(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)
Copy SMILES
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Affinity Data
IC50: 5.00E+3nM
Assay Description:
Inhibition of 5LOX (unknown origin) using arachidonic acid as substrate after 5 mins by spectrophotometric analysis
More data for this Ligand-Target Pair
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Target
Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human))
Guru Nanak Dev University
Curated by
ChEMBL
Ligand
BDBM50029559
(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)
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Affinity Data
IC50: 5.00E+3nM
Assay Description:
Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenase
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Cytochrome P450 3A4
(Homo sapiens (Human))
Amira Pharmaceuticals
Curated by
ChEMBL
Ligand
BDBM50029559
(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)
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Affinity Data
IC50: 5.20E+3nM
Assay Description:
Inhibition of CYP3A4
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Arachidonate 5-lipoxygenase-activating protein/Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human))
TBA
Curated by
ChEMBL
Ligand
BDBM50029559
(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)
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Affinity Data
IC50: 8.00E+3nM
Assay Description:
Inhibition of calcium ionophore (A23187) stimulated LTB4 formation in human neutrophils
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Target
Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human))
Guru Nanak Dev University
Curated by
ChEMBL
Ligand
BDBM50029559
(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)
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Affinity Data
IC50: >1.00E+4nM
Assay Description:
Inhibition of Human 5-lipoxygenase
More data for this Ligand-Target Pair
Target Info
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MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
Ligand Info
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