BDBM50029559 2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]-2-methyl-propionic acid::3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-(quinolin-2-ylmethoxy)-1H-indol-2-yl)-2,2-dimethylpropanoic acid::3-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-(quinolin-2-ylmethoxy)-1H-indol-2-yl)-2,2-dimethylpropanoic acid::3-[3-(TERT-BUTYLTHIO)-1-(4-CHLOROBENZYL)-5-(QUINOLIN-2-YLMETHOXY)-1H-INDOL-2-YL]-2,2-DIMETHYLPROPANOIC ACID::3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethyl-propionic acid::CHEMBL16596::L-686708::MK-591

SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12

InChI Key InChIKey=NZOONKHCNQFYCI-UHFFFAOYSA-N

Data  22 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 50029559   

TargetPolyunsaturated fatty acid 5-lipoxygenase(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL

LigandBDBM50029559(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)Copy SMILESCopy InChI

Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of Human 5-lipoxygenaseMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
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TargetArachidonate 5-lipoxygenase-activating protein(Human)
Gazi University

Curated by ChEMBL

LigandBDBM50029559(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)Copy SMILESCopy InChI

Affinity DataIC50:  2nMAssay Description:Displacement of [125I]-L-691831 from FLAP in human Leucocyte membrane incubated for 20 mins by radioactivity based gamma-scintillation counter assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
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TargetPolyunsaturated fatty acid 5-lipoxygenase(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL

LigandBDBM50029559(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)Copy SMILESCopy InChI

Affinity DataIC50:  5.00E+3nMAssay Description:In vitro potency against human 5-LipoxygenaseMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
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TargetArachidonate 5-lipoxygenase-activating protein(Human)
Gazi University

Curated by ChEMBL

LigandBDBM50029559(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)Copy SMILESCopy InChI

Affinity DataIC50:  2nMAssay Description:Measuring the affinity of leukotriene synthesis inhibitor for 5-lipoxygenase activating protein by using [125I]-L-691,831 as radioligand.More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
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TargetArachidonate 5-lipoxygenase-activating protein(Human)
Gazi University

Curated by ChEMBL

LigandBDBM50029559(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)Copy SMILESCopy InChI

Affinity DataIC50:  36nMAssay Description:Binding affinity to FLAP (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
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TargetArachidonate 5-lipoxygenase-activating protein(Human)
Gazi University

Curated by ChEMBL

LigandBDBM50029559(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)Copy SMILESCopy InChI

Affinity DataIC50:  2nMAssay Description:The compound was tested for the inhibition of binding of [125I]- L- 691,831 binding to 5-lipoxygenase activating proteinMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
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TargetArachidonate 5-lipoxygenase-activating protein(Human)
Gazi University

Curated by ChEMBL

LigandBDBM50029559(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)Copy SMILESCopy InChI

Affinity DataIC50:  2.30nMAssay Description:Compound was tested for its binding activity towards 5-lipoxygenase activating protein (FLAP)More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
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TargetPolyunsaturated fatty acid 5-lipoxygenase(Rat)
TBA

Curated by ChEMBL

LigandBDBM50029559(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)Copy SMILESCopy InChI

Affinity DataIC50: >2.00E+3nMAssay Description:Compound was tested for its inhibitory activity against 5-lipoxygenase in rat.More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
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TargetArachidonate 5-lipoxygenase-activating protein/Polyunsaturated fatty acid 5-lipoxygenase(Human)
TBA

Curated by ChEMBL

LigandBDBM50029559(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)Copy SMILESCopy InChI

Affinity DataIC50:  8.00E+3nMAssay Description:Inhibition of calcium ionophore (A23187) stimulated LTB4 formation in human neutrophilsMore data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
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TargetArachidonate 5-lipoxygenase-activating protein(Human)
Gazi University

Curated by ChEMBL

LigandBDBM50029559(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)Copy SMILESCopy InChI

Affinity DataIC50:  2nMAssay 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

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TargetCytochrome P450 2C9(Human)
Amira Pharmaceuticals

Curated by ChEMBL

LigandBDBM50029559(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)Copy SMILESCopy InChI

Affinity DataIC50:  0.5nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
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TargetCytochrome P450 3A4(Human)
Amira Pharmaceuticals

Curated by ChEMBL

LigandBDBM50029559(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)Copy SMILESCopy InChI

Affinity DataIC50:  5.80nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
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TargetCytochrome P450 2D6(Human)
Amira Pharmaceuticals

Curated by ChEMBL

LigandBDBM50029559(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)Copy SMILESCopy InChI

Affinity DataIC50:  11nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair

Target InfoPDBReactome pathway
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TargetCytochrome P450 3A4(Human)
Amira Pharmaceuticals

Curated by ChEMBL

LigandBDBM50029559(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)Copy SMILESCopy InChI

Affinity DataIC50:  5.20E+3nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
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TargetCytochrome P450 2C9(Human)
Amira Pharmaceuticals

Curated by ChEMBL

LigandBDBM50029559(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)Copy SMILESCopy InChI

Affinity DataIC50:  500nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
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TargetPolyunsaturated fatty acid 5-lipoxygenase(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL

LigandBDBM50029559(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)Copy SMILESCopy InChI

Affinity DataIC50:  5.00E+3nMAssay Description:Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenaseMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
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TargetPolyunsaturated fatty acid 5-lipoxygenase(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL

LigandBDBM50029559(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)Copy SMILESCopy InChI

Affinity DataIC50:  5.00E+3nMAssay Description:Inhibition of oxidation of arachidonic acid by human 5-Lipoxygenase using spectrophotometric assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
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Ligand InfoPurchaseCHEMBLMCE
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TargetArachidonate 5-lipoxygenase-activating protein(Human)
Gazi University

Curated by ChEMBL

LigandBDBM50029559(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)Copy SMILESCopy InChI

Affinity DataIC50:  1.60nMAssay Description:Displacement of [125I]L-691831 from FLAPMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
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Ligand InfoPurchaseCHEMBLMCE
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PDB3D Structure (crystal)
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TargetPolyunsaturated fatty acid 5-lipoxygenase(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL

LigandBDBM50029559(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)Copy SMILESCopy InChI

Affinity DataIC50:  1.60nMAssay Description:Inhibition of 5-LOX (unknown origin) using arachidonic acid as substrate after 5 mins by EIAMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
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Ligand InfoPurchaseCHEMBLMCE
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TargetPolyunsaturated fatty acid 5-lipoxygenase(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL

LigandBDBM50029559(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)Copy SMILESCopy InChI

Affinity DataIC50:  5.00E+3nMAssay Description:Inhibition of 5LOX (unknown origin) using arachidonic acid as substrate after 5 mins by spectrophotometric analysisMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
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TargetArachidonate 5-lipoxygenase-activating protein/Polyunsaturated fatty acid 5-lipoxygenase(Human)
TBA

Curated by ChEMBL

LigandBDBM50029559(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)Copy SMILESCopy InChI

Affinity DataIC50:  200nMAssay Description:Human whole blood was stimulated with calcium ionophore (A23187) and LTB 4 measured by enzyme immunoassayMore data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
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Ligand InfoPurchaseCHEMBLMCE
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TargetArachidonate 5-lipoxygenase-activating protein(Human)
Gazi University

Curated by ChEMBL

LigandBDBM50029559(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)Copy SMILESCopy InChI

Affinity DataIC50:  1.60nMAssay Description:Inhibition of 5-lipoxygenase activating protein using human leukocyte membrane preparationsMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
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