BDBM50329326 4-(5-(Naphthalen-1-yl)-1,3,4-oxadiazol-2-ylthio)but-2-ynyl-4-(trifluoromethoxy)benzoate::CHEMBL1270113
SMILES: FC(F)(F)Oc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1cccc2ccccc12
InChI Key: InChIKey=KOPCIFXZCOLPTQ-UHFFFAOYSA-N
Data: 4 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
15-Lipoxygenase-2 (15-LOX-2) (Homo sapiens (Human)) | BDBM50329326 (4-(5-(Naphthalen-1-yl)-1,3,4-oxadiazol-2-ylthio)bu...) | PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
National Human Genome Research Institute Curated by ChEMBL | Assay Description Inhibition of human N-terminal His6-tagged epithelial 15-lipoxygenase-2 after 15 mins by UV-vis spectrophotometer analysis | J Med Chem 53: 7392-404 (2010) Article DOI: 10.1021/jm1008852 BindingDB Entry DOI: 10.7270/Q2SJ1KVW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Arachidonate 5-lipoxygenase (Homo sapiens (Human)) | BDBM50329326 (4-(5-(Naphthalen-1-yl)-1,3,4-oxadiazol-2-ylthio)bu...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Human Genome Research Institute Curated by ChEMBL | Assay Description Inhibition of human 5-lipoxygenase after 15 mins by UV-vis spectrophotometer analysis | J Med Chem 53: 7392-404 (2010) Article DOI: 10.1021/jm1008852 BindingDB Entry DOI: 10.7270/Q2SJ1KVW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
12-Lipoxygenase (12-LOX) (Homo sapiens (Human)) | BDBM50329326 (4-(5-(Naphthalen-1-yl)-1,3,4-oxadiazol-2-ylthio)bu...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
National Human Genome Research Institute Curated by ChEMBL | Assay Description Inhibition of human N-terminal His6-tagged platelet 12-lipoxygenase after 15 mins by UV-vis spectrophotometer analysis | J Med Chem 53: 7392-404 (2010) Article DOI: 10.1021/jm1008852 BindingDB Entry DOI: 10.7270/Q2SJ1KVW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Arachidonate 15-lipoxygenase (Homo sapiens (Human)) | BDBM50329326 (4-(5-(Naphthalen-1-yl)-1,3,4-oxadiazol-2-ylthio)bu...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
National Human Genome Research Institute Curated by ChEMBL | Assay Description Inhibition of human N-terminal His6-tagged reticulocyte 15-lipoxygenase-1 after 15 mins by UV-vis spectrophotometer analysis | J Med Chem 53: 7392-404 (2010) Article DOI: 10.1021/jm1008852 BindingDB Entry DOI: 10.7270/Q2SJ1KVW | |||||||||||
More data for this Ligand-Target Pair |