BDBM50361578 CHEMBL1939670
SMILES: Cc1c(CC(=O)OCCO[N+]([O-])=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1
InChI Key: InChIKey=QYLIQJQSFODNCS-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human)) | BDBM50361578 (CHEMBL1939670) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 9.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£"Sapienza" Curated by ChEMBL | Assay Description Inhibition of platelet COX1-mediated TXB2 production in LPS-induced human whole blood after 60 mins by radioimmunoassay | J Med Chem 54: 7759-71 (2011) Article DOI: 10.1021/jm200715n BindingDB Entry DOI: 10.7270/Q2W37WR0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase-2 (COX-2) (Mus musculus (Mouse)) | BDBM50361578 (CHEMBL1939670) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£"Sapienza" Curated by ChEMBL | Assay Description Inhibition of COX-2-mediated PGE2 production in LPS-stimulated mouse J774 cells after 24 hrs by radioimmunoassay | J Med Chem 54: 7759-71 (2011) Article DOI: 10.1021/jm200715n BindingDB Entry DOI: 10.7270/Q2W37WR0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin G/H synthase (cyclooxygenase) (Mus musculus) | BDBM50361578 (CHEMBL1939670) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£"Sapienza" Curated by ChEMBL | Assay Description Inhibition of COX-1-mediated PGE2 production in arachidonic acid-stimulated mouse J774 cells incubated for 15 mins prior to arachidonic acid-challeng... | J Med Chem 54: 7759-71 (2011) Article DOI: 10.1021/jm200715n BindingDB Entry DOI: 10.7270/Q2W37WR0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase (Homo sapiens (Human)) | BDBM50361578 (CHEMBL1939670) | 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 | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£"Sapienza" Curated by ChEMBL | Assay Description Inhibition of COX2-mediated PGE2 production in LPS-induced human whole blood after 60 mins by radioimmunoassay | J Med Chem 54: 7759-71 (2011) Article DOI: 10.1021/jm200715n BindingDB Entry DOI: 10.7270/Q2W37WR0 | |||||||||||
More data for this Ligand-Target Pair |