BDBM206340 2-({(3r,6r)-1-[(5-fluoro-2- pyrimidin-2- ylphenyl)carbonyl]-6- methylpiperidin-3-yl}oxy)-3- methoxypyridine-4- carbonitrile::US9546152, example 111

SMILES: COc1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cc(F)ccc2-c2ncccn2)nccc1C#N

InChI Key: InChIKey=YXBJWJJJHTZCEJ-CRAIPNDOSA-N

Data: 2 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 206340   

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))	BDBM206340 (2-({(3r,6r)-1-[(5-fluoro-2- pyrimidin-2- ylphenyl)...) Show SMILES COc1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cc(F)ccc2-c2ncccn2)nccc1C#N |r| Show InChI InChI=1S/C24H22FN5O3/c1-15-4-6-18(33-23-21(32-2)16(13-26)8-11-29-23)14-30(15)24(31)20-12-17(25)5-7-19(20)22-27-9-3-10-28-22/h3,5,7-12,15,18H,4,6,14H2,1-2H3/t15-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia 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))	BDBM206340 (2-({(3r,6r)-1-[(5-fluoro-2- pyrimidin-2- ylphenyl)...) Show SMILES COc1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cc(F)ccc2-c2ncccn2)nccc1C#N |r| Show InChI InChI=1S/C24H22FN5O3/c1-15-4-6-18(33-23-21(32-2)16(13-26)8-11-29-23)14-30(15)24(31)20-12-17(25)5-7-19(20)22-27-9-3-10-28-22/h3,5,7-12,15,18H,4,6,14H2,1-2H3/t15-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	169	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))	BDBM206340 (2-({(3r,6r)-1-[(5-fluoro-2- pyrimidin-2- ylphenyl)...) Show SMILES COc1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cc(F)ccc2-c2ncccn2)nccc1C#N |r| Show InChI InChI=1S/C24H22FN5O3/c1-15-4-6-18(33-23-21(32-2)16(13-26)8-11-29-23)14-30(15)24(31)20-12-17(25)5-7-19(20)22-27-9-3-10-28-22/h3,5,7-12,15,18H,4,6,14H2,1-2H3/t15-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	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))	BDBM206340 (2-({(3r,6r)-1-[(5-fluoro-2- pyrimidin-2- ylphenyl)...) Show SMILES COc1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cc(F)ccc2-c2ncccn2)nccc1C#N |r| Show InChI InChI=1S/C24H22FN5O3/c1-15-4-6-18(33-23-21(32-2)16(13-26)8-11-29-23)14-30(15)24(31)20-12-17(25)5-7-19(20)22-27-9-3-10-28-22/h3,5,7-12,15,18H,4,6,14H2,1-2H3/t15-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	945	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