BDBM50330853 CHEMBL66552::Sodium; 2-[4-(2-oxo-cyclopentylmethyl)-phenyl]-propionate; hydrate::loxoprofen sodium
SMILES: CC(C([O-])=O)c1ccc(CC2CCCC2=O)cc1
InChI Key: InChIKey=YMBXTVYHTMGZDW-UHFFFAOYSA-M
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human)) | BDBM50330853 (CHEMBL66552 | Sodium; 2-[4-(2-oxo-cyclopentylmethy...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.35E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kumamoto University Curated by ChEMBL | Assay Description Inhibition of COX1 in human whole blood assessed as TXB2 biosynthesis after 24 hrs by EIA | J Med Chem 53: 7879-82 (2010) Article DOI: 10.1021/jm101116s BindingDB Entry DOI: 10.7270/Q2WS8TGV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase (Homo sapiens (Human)) | BDBM50330853 (CHEMBL66552 | Sodium; 2-[4-(2-oxo-cyclopentylmethy...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kumamoto University Curated by ChEMBL | Assay Description Inhibition of human whole blood COX-2 assessed as production of PGE2 after 24 hrs by EIA | Bioorg Med Chem 19: 3299-311 (2011) Article DOI: 10.1016/j.bmc.2011.04.050 BindingDB Entry DOI: 10.7270/Q2NZ881Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase (Homo sapiens (Human)) | BDBM50330853 (CHEMBL66552 | Sodium; 2-[4-(2-oxo-cyclopentylmethy...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kumamoto University Curated by ChEMBL | Assay Description Inhibition of COX2 in human whole blood assessed as PGE2 biosynthesis after 24 hrs by EIA | J Med Chem 53: 7879-82 (2010) Article DOI: 10.1021/jm101116s BindingDB Entry DOI: 10.7270/Q2WS8TGV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human)) | BDBM50330853 (CHEMBL66552 | Sodium; 2-[4-(2-oxo-cyclopentylmethy...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kumamoto University Curated by ChEMBL | Assay Description Inhibition of human whole blood COX-1 assessed as production of TXB2 after 24 hrs by EIA | Bioorg Med Chem 19: 3299-311 (2011) Article DOI: 10.1016/j.bmc.2011.04.050 BindingDB Entry DOI: 10.7270/Q2NZ881Z | |||||||||||
More data for this Ligand-Target Pair |