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SMILES: [#6]S(=O)(=O)c1ccc(cc1)-c1cc2-[#8]-[#6]-[#8]-c2cc1\[#6]=[#6]-1/[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1
InChI Key: InChIKey=WQJQLCMNMWEEIH-UHFFFAOYSA-N
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 (Homo sapiens (Human)) | BDBM50136108 (5-Cycloheptylidenemethyl-6-(4-methanesulfonyl-phen...) | 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 | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
NitroMed, Inc Curated by ChEMBL | Assay Description Compound was tested for the inhibition of human Prostaglandin G/H synthase 2 (COX-2) in human whole blood | J Med Chem 46: 5484-504 (2003) Article DOI: 10.1021/jm030268b BindingDB Entry DOI: 10.7270/Q2FX78WK | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Prostaglandin G/H synthase 1 (Homo sapiens (Human)) | BDBM50136108 (5-Cycloheptylidenemethyl-6-(4-methanesulfonyl-phen...) | PDB 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 |
NitroMed, Inc Curated by ChEMBL | Assay Description Compound was tested for the inhibition of recombinant human Prostaglandin G/H synthase 1 (COX-1) | J Med Chem 46: 5484-504 (2003) Article DOI: 10.1021/jm030268b BindingDB Entry DOI: 10.7270/Q2FX78WK | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
