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SMILES: [#6]-[#6@H](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6@H]1-[#6]-[#6][C@@]2([#6])[#6@@H]3-[#6]-[#6@H](-[#8])-[#6@@H](-[#6]=[#6])[C@@]4([#6]-[#6]-[#6](-[#8])=O)[#6][C@@]34[#6]-[#6][C@]12[#6]
InChI Key: InChIKey=JCKMCGRZLQGGCS-IRUUMJFPSA-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)) | BDBM50100939 (3-[(2S,3S,3aR,4aS,6aR,7R,9aS,9bS)-7-((R)-1,5-Dimet...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago Curated by ChEMBL | Assay Description Inhibitory concentration against Prostaglandin G/H synthase 2 | Bioorg Med Chem Lett 11: 1565-8 (2001) BindingDB Entry DOI: 10.7270/Q2862FQQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin G/H synthase 1 (Homo sapiens (Human)) | BDBM50100939 (3-[(2S,3S,3aR,4aS,6aR,7R,9aS,9bS)-7-((R)-1,5-Dimet...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4.37E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago Curated by ChEMBL | Assay Description Inhibitory concentration against Prostaglandin G/H synthase 1 | Bioorg Med Chem Lett 11: 1565-8 (2001) BindingDB Entry DOI: 10.7270/Q2862FQQ | |||||||||||
More data for this Ligand-Target Pair |