BDBM50066564 7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofuran-5-carboxylic acid (2-methoxy-ethyl)-amide::CHEMBL419947
SMILES: COCCNC(=O)c1cc2c(OCC2(C)C)c(c1)C(C)(C)C
InChI Key: InChIKey=XBMVFVILTOKBLZ-UHFFFAOYSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human)) | BDBM50066564 (7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofuran-5...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals Curated by ChEMBL | Assay Description Inhibitory activity against prostaglandin G/H synthase 1 (COX-1) | J Med Chem 41: 3515-29 (1998) Article DOI: 10.1021/jm9802416 BindingDB Entry DOI: 10.7270/Q2V98763 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase (Homo sapiens (Human)) | BDBM50066564 (7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofuran-5...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals Curated by ChEMBL | Assay Description Inhibitory activity against prostaglandin G/H synthase 2 (COX-2) | J Med Chem 41: 3515-29 (1998) Article DOI: 10.1021/jm9802416 BindingDB Entry DOI: 10.7270/Q2V98763 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Arachidonate 5-lipoxygenase (Homo sapiens (Human)) | BDBM50066564 (7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofuran-5...) | 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 | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of 5-Lipoxygenase(5-LOX) | J Med Chem 41: 3515-29 (1998) Article DOI: 10.1021/jm9802416 BindingDB Entry DOI: 10.7270/Q2V98763 | |||||||||||
More data for this Ligand-Target Pair |