BDBM79800 5-(methylamino)-2-(1-naphthalenyl)-4-oxazolecarbonitrile::5-(methylamino)-2-(1-naphthyl)oxazole-4-carbonitrile::5-(methylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile::MLS000082299::SMR000045344::cid_664510

SMILES CNc1oc(nc1C#N)-c1cccc2ccccc12

InChI Key InChIKey=DYXYXTDIFMDJIR-UHFFFAOYSA-N

Data  2 KI  16 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 79800   

TargetPolyunsaturated fatty acid lipoxygenase ALOX15(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM79800(5-(methylamino)-2-(1-naphthalenyl)-4-oxazolecarbon...)
Affinity DataKi:  100nMAssay Description:Inhibition of recombinant N-terminal His6-tagged human reticulocyte 12/15-lipoxygenase using arachidonic acid as substrate assessed as equilibrium co...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyunsaturated fatty acid lipoxygenase ALOX15(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM79800(5-(methylamino)-2-(1-naphthalenyl)-4-oxazolecarbon...)
Affinity DataKi:  1.20E+3nMAssay Description:Inhibition of recombinant N-terminal His6-tagged human reticulocyte 12/15-lipoxygenase using arachidonic acid as substrate assessed as equilibrium co...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyunsaturated fatty acid lipoxygenase ALOX15(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM79800(5-(methylamino)-2-(1-naphthalenyl)-4-oxazolecarbon...)
Affinity DataIC50:  200nMAssay Description:Inhibition of recombinant N-terminal His6-tagged human reticulocyte 12/15-lipoxygenase using arachidonic acid as substrate by UV-vis spectrometric an...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM79800(5-(methylamino)-2-(1-naphthalenyl)-4-oxazolecarbon...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of human 5-lipoxygenase using arachidonic acid as substrate by UV-vis spectrometric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyunsaturated fatty acid lipoxygenase ALOX15(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM79800(5-(methylamino)-2-(1-naphthalenyl)-4-oxazolecarbon...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of N-terminal His6-tagged human platelet 12-lipoxygenase using arachidonic acid as substrate by UV-vis spectrometric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyunsaturated fatty acid lipoxygenase ALOX15B(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM79800(5-(methylamino)-2-(1-naphthalenyl)-4-oxazolecarbon...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of N-terminal His6-tagged human epithelial 15-lipoxygenase-2 using arachidonic acid as substrate by UV-vis spectrometric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyunsaturated fatty acid lipoxygenase ALOX15(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM79800(5-(methylamino)-2-(1-naphthalenyl)-4-oxazolecarbon...)
Affinity DataIC50:  200nMAssay Description:Inhibition of N-terminal His6-tagged human 12/15-LOX using arachidonic acid as substrate by UV-visible spectrophotometric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyunsaturated fatty acid lipoxygenase ALOX15(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM79800(5-(methylamino)-2-(1-naphthalenyl)-4-oxazolecarbon...)
Affinity DataIC50:  4.10E+3nMAssay Description:Inhibition of human N-terminal His6-tagged 15-LOX-1 F414I mutant expressed in sf9 cells using arachidonic acid or linoleic acid as substrate by UV-Vi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyunsaturated fatty acid lipoxygenase ALOX15(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM79800(5-(methylamino)-2-(1-naphthalenyl)-4-oxazolecarbon...)
Affinity DataIC50:  300nMAssay Description:Inhibition of human N-terminal His6-tagged 15-LOX-1 Q547L mutant expressed in sf9 cells using arachidonic acid as substrate by UV-Visible spectrophot...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyunsaturated fatty acid lipoxygenase ALOX15(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM79800(5-(methylamino)-2-(1-naphthalenyl)-4-oxazolecarbon...)
Affinity DataIC50:  260nMAssay Description:Inhibition of human N-terminal His6-tagged 15-LOX-1 R404L mutant expressed in sf9 cells using arachidonic acid or linoleic acid as substrate by UV-Vi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyunsaturated fatty acid lipoxygenase ALOX15(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM79800(5-(methylamino)-2-(1-naphthalenyl)-4-oxazolecarbon...)
Affinity DataIC50:  120nMAssay Description:Inhibition of human N-terminal His6-tagged 15-LOX-1 R402L mutant expressed in sf9 cells using arachidonic acid or linoleic acid as substrate by UV-Vi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyunsaturated fatty acid lipoxygenase ALOX15(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM79800(5-(methylamino)-2-(1-naphthalenyl)-4-oxazolecarbon...)
Affinity DataIC50:  180nMAssay Description:Inhibition of human N-terminal His6-tagged 15-LOX-1 I417A mutant expressed in sf9 cells using arachidonic acid or linoleic acid as substrate by UV-Vi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyunsaturated fatty acid lipoxygenase ALOX15(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM79800(5-(methylamino)-2-(1-naphthalenyl)-4-oxazolecarbon...)
Affinity DataIC50:  330nMAssay Description:Inhibition of wild type human N-terminal His6-tagged 15-LOX-1 expressed in sf9 cells using arachidonic acid or linoleic acid as substrate by UV-Visib...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyunsaturated fatty acid lipoxygenase ALOX15(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM79800(5-(methylamino)-2-(1-naphthalenyl)-4-oxazolecarbon...)
Affinity DataIC50:  870nMAssay Description:Inhibition of human N-terminal His6-tagged 15-LOX-1 E356Q mutant expressed in sf9 cells using arachidonic acid as substrate by UV-Visible spectrophot...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyunsaturated fatty acid lipoxygenase ALOX15(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM79800(5-(methylamino)-2-(1-naphthalenyl)-4-oxazolecarbon...)
Affinity DataIC50:  390nMAssay Description:Inhibition of human N-terminal His6-tagged 15-LOX-1 L407A mutant expressed in sf9 cells using arachidonic acid as substrate by UV-Visible spectrophot...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyunsaturated fatty acid lipoxygenase ALOX15(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM79800(5-(methylamino)-2-(1-naphthalenyl)-4-oxazolecarbon...)
Affinity DataIC50:  770nMAssay Description:Inhibition of human N-terminal His6-tagged 15-LOX-1 F414W mutant expressed in sf9 cells using arachidonic acid as substrate by UV-Visible spectrophot...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM79800(5-(methylamino)-2-(1-naphthalenyl)-4-oxazolecarbon...)
Affinity DataIC50:  3.48E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM79800(5-(methylamino)-2-(1-naphthalenyl)-4-oxazolecarbon...)
Affinity DataIC50:  887nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay