BDBM330446 US9725442, Compound I-85
SMILES: CC(C)Oc1ccc(cc1)S(=O)(=O)N1C[C@H](n2nc(CC(O)=O)c3ccc(F)cc23)[C@@](C)(F)C1
InChI Key: InChIKey=ZZEUKXBOGFUETC-GMAHTHKFSA-N
Data: 2 KI
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 D2 receptor 2 (Homo sapiens (Human)) | BDBM330446 (US9725442, Compound I-85) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SHIONOGI & CO., LTD. US Patent | Assay Description Cell membrane was prepared from CRTH2-expressing K562 cell. The cell membrane (20 μg/well) was mixed with reaction buffer (50 mM Tris/HCl, pH 7.... | US Patent US9725442 (2017) BindingDB Entry DOI: 10.7270/Q2668G9D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin D2 receptor 2 (Homo sapiens (Human)) | BDBM330446 (US9725442, Compound I-85) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SHIONOGI & CO., LTD. US Patent | Assay Description Cell membrane was prepared from CRTH2-expressing K562 cell. The cell membrane (20 μg/well) was mixed with reaction buffer (50 mM Tris/HCl, pH 7.... | US Patent US9725442 (2017) BindingDB Entry DOI: 10.7270/Q2668G9D | |||||||||||
More data for this Ligand-Target Pair |