BDBM205118 3-methyl-2-{[(3r,6r)-6- methyl-1-{[2-(1,3-oxazol-2- yl)phenyl]carbonyl}piperidin- 3-yl]oxy}pyridine-4- carbonitrile::US9546152, example 27
SMILES: C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-c1ncco1)Oc1nccc(C#N)c1C
InChI Key: InChIKey=SVMJETVPBLNJGP-CRAIPNDOSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Orexin receptor type 2 (Homo sapiens (Human)) | BDBM205118 (3-methyl-2-{[(3r,6r)-6- methyl-1-{[2-(1,3-oxazol-2...) | PDB Reactome pathway KEGG DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MERCK SHARP & DOHME CORP. US Patent | Assay Description Radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which the inhibition constant (Ki) is determ... | US Patent US9546152 (2017) BindingDB Entry DOI: 10.7270/Q2D50PZW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Orexin receptor type 1 (Homo sapiens (Human)) | BDBM205118 (3-methyl-2-{[(3r,6r)-6- methyl-1-{[2-(1,3-oxazol-2...) | PDB Reactome pathway KEGG DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 182 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MERCK SHARP & DOHME CORP. US Patent | Assay Description Radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which the inhibition constant (Ki) is determ... | US Patent US9546152 (2017) BindingDB Entry DOI: 10.7270/Q2D50PZW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Orexin receptor type 2 (Homo sapiens (Human)) | BDBM205118 (3-methyl-2-{[(3r,6r)-6- methyl-1-{[2-(1,3-oxazol-2...) | PDB Reactome pathway KEGG DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
MERCK SHARP & DOHME CORP. US Patent | Assay Description The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho... | US Patent US9546152 (2017) BindingDB Entry DOI: 10.7270/Q2D50PZW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Orexin receptor type 1 (Homo sapiens (Human)) | BDBM205118 (3-methyl-2-{[(3r,6r)-6- methyl-1-{[2-(1,3-oxazol-2...) | PDB Reactome pathway KEGG DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 1.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
MERCK SHARP & DOHME CORP. US Patent | Assay Description The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho... | US Patent US9546152 (2017) BindingDB Entry DOI: 10.7270/Q2D50PZW | |||||||||||
More data for this Ligand-Target Pair |