BDBM50063785 1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofuran-5-yl)-2-cyclopropylmethanesulfonyl-ethanone::CHEMBL266858
SMILES: CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)CS(=O)(=O)CC1CC1
InChI Key: InChIKey=VFJATJUXSGULNB-UHFFFAOYSA-N
Data: 2 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 (Homo sapiens (Human)) | BDBM50063785![]() (1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...) | 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 | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals Curated by ChEMBL | Assay Description Concentration (in microM) to inhibit 50% of Prostaglandin G/H synthase 2 (COX-2) and is expressed in IC50. | J Med Chem 41: 1112-23 (1998) Article DOI: 10.1021/jm970679q BindingDB Entry DOI: 10.7270/Q2K936N4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human)) | BDBM50063785![]() (1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals Curated by ChEMBL | Assay Description Concentration (in microM) to inhibit 50% of Prostaglandin G/H synthase 1 (COX-1) and is expressed in IC50. | J Med Chem 41: 1112-23 (1998) Article DOI: 10.1021/jm970679q BindingDB Entry DOI: 10.7270/Q2K936N4 | |||||||||||
More data for this Ligand-Target Pair |