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
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Arachidonate 15-lipoxygenase (Homo sapiens (Human)) | BDBM79800 (5-(methylamino)-2-(1-naphthalenyl)-4-oxazolecarbon...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Inhibition of recombinant N-terminal His6-tagged human reticulocyte 12/15-lipoxygenase using arachidonic acid as substrate assessed as equilibrium co... | J Med Chem 57: 4035-48 (2014) Article DOI: 10.1021/jm401915r BindingDB Entry DOI: 10.7270/Q26T0P58 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Arachidonate 15-lipoxygenase (Homo sapiens (Human)) | BDBM79800 (5-(methylamino)-2-(1-naphthalenyl)-4-oxazolecarbon...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Inhibition of recombinant N-terminal His6-tagged human reticulocyte 12/15-lipoxygenase using arachidonic acid as substrate assessed as equilibrium co... | J Med Chem 57: 4035-48 (2014) Article DOI: 10.1021/jm401915r BindingDB Entry DOI: 10.7270/Q26T0P58 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Arachidonate 15-lipoxygenase (Homo sapiens (Human)) | BDBM79800 (5-(methylamino)-2-(1-naphthalenyl)-4-oxazolecarbon...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Inhibition of recombinant N-terminal His6-tagged human reticulocyte 12/15-lipoxygenase using arachidonic acid as substrate by UV-vis spectrometric an... | J Med Chem 57: 4035-48 (2014) Article DOI: 10.1021/jm401915r BindingDB Entry DOI: 10.7270/Q26T0P58 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Arachidonate 5-lipoxygenase (Homo sapiens (Human)) | BDBM79800 (5-(methylamino)-2-(1-naphthalenyl)-4-oxazolecarbon...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Inhibition of human 5-lipoxygenase using arachidonic acid as substrate by UV-vis spectrometric analysis | J Med Chem 57: 4035-48 (2014) Article DOI: 10.1021/jm401915r BindingDB Entry DOI: 10.7270/Q26T0P58 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Arachidonate 15-lipoxygenase (Homo sapiens (Human)) | BDBM79800 (5-(methylamino)-2-(1-naphthalenyl)-4-oxazolecarbon...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Inhibition of N-terminal His6-tagged human platelet 12-lipoxygenase using arachidonic acid as substrate by UV-vis spectrometric analysis | J Med Chem 57: 4035-48 (2014) Article DOI: 10.1021/jm401915r BindingDB Entry DOI: 10.7270/Q26T0P58 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
15-Lipoxygenase-2 (15-LOX-2) (Homo sapiens (Human)) | BDBM79800 (5-(methylamino)-2-(1-naphthalenyl)-4-oxazolecarbon...) | PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Inhibition of N-terminal His6-tagged human epithelial 15-lipoxygenase-2 using arachidonic acid as substrate by UV-vis spectrometric analysis | J Med Chem 57: 4035-48 (2014) Article DOI: 10.1021/jm401915r BindingDB Entry DOI: 10.7270/Q26T0P58 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Arachidonate 15-lipoxygenase (Homo sapiens (Human)) | BDBM79800 (5-(methylamino)-2-(1-naphthalenyl)-4-oxazolecarbon...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of N-terminal His6-tagged human 12/15-LOX using arachidonic acid as substrate by UV-visible spectrophotometric analysis | Bioorg Med Chem 24: 1183-90 (2016) BindingDB Entry DOI: 10.7270/Q2QJ7K44 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Arachidonate 15-lipoxygenase (Homo sapiens (Human)) | BDBM79800 (5-(methylamino)-2-(1-naphthalenyl)-4-oxazolecarbon...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Santa Cruz Curated by ChEMBL | Assay 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... | Bioorg Med Chem 24: 5380-5387 (2016) Article DOI: 10.1016/j.bmc.2016.08.063 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Arachidonate 15-lipoxygenase (Homo sapiens (Human)) | BDBM79800 (5-(methylamino)-2-(1-naphthalenyl)-4-oxazolecarbon...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Santa Cruz Curated by ChEMBL | Assay 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... | Bioorg Med Chem 24: 5380-5387 (2016) Article DOI: 10.1016/j.bmc.2016.08.063 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Arachidonate 15-lipoxygenase (Homo sapiens (Human)) | BDBM79800 (5-(methylamino)-2-(1-naphthalenyl)-4-oxazolecarbon...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Santa Cruz Curated by ChEMBL | Assay 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... | Bioorg Med Chem 24: 5380-5387 (2016) Article DOI: 10.1016/j.bmc.2016.08.063 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Arachidonate 15-lipoxygenase (Homo sapiens (Human)) | BDBM79800 (5-(methylamino)-2-(1-naphthalenyl)-4-oxazolecarbon...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Santa Cruz Curated by ChEMBL | Assay 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... | Bioorg Med Chem 24: 5380-5387 (2016) Article DOI: 10.1016/j.bmc.2016.08.063 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Arachidonate 15-lipoxygenase (Homo sapiens (Human)) | BDBM79800 (5-(methylamino)-2-(1-naphthalenyl)-4-oxazolecarbon...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Santa Cruz Curated by ChEMBL | Assay 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... | Bioorg Med Chem 24: 5380-5387 (2016) Article DOI: 10.1016/j.bmc.2016.08.063 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Arachidonate 15-lipoxygenase (Homo sapiens (Human)) | BDBM79800 (5-(methylamino)-2-(1-naphthalenyl)-4-oxazolecarbon...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Santa Cruz Curated by ChEMBL | Assay 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... | Bioorg Med Chem 24: 5380-5387 (2016) Article DOI: 10.1016/j.bmc.2016.08.063 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Arachidonate 15-lipoxygenase (Homo sapiens (Human)) | BDBM79800 (5-(methylamino)-2-(1-naphthalenyl)-4-oxazolecarbon...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 870 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Santa Cruz Curated by ChEMBL | Assay 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... | Bioorg Med Chem 24: 5380-5387 (2016) Article DOI: 10.1016/j.bmc.2016.08.063 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Arachidonate 15-lipoxygenase (Homo sapiens (Human)) | BDBM79800 (5-(methylamino)-2-(1-naphthalenyl)-4-oxazolecarbon...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Santa Cruz Curated by ChEMBL | Assay 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... | Bioorg Med Chem 24: 5380-5387 (2016) Article DOI: 10.1016/j.bmc.2016.08.063 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Arachidonate 15-lipoxygenase (Homo sapiens (Human)) | BDBM79800 (5-(methylamino)-2-(1-naphthalenyl)-4-oxazolecarbon...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 770 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Santa Cruz Curated by ChEMBL | Assay 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... | Bioorg Med Chem 24: 5380-5387 (2016) Article DOI: 10.1016/j.bmc.2016.08.063 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Orexin receptor type 1 (Homo sapiens (Human)) | BDBM79800 (5-(methylamino)-2-(1-naphthalenyl)-4-oxazolecarbon...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 3.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2WW7G4W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Orexin receptor type 1 (Homo sapiens (Human)) | BDBM79800 (5-(methylamino)-2-(1-naphthalenyl)-4-oxazolecarbon...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 887 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2S75DTS | |||||||||||
More data for this Ligand-Target Pair |