BDBM205986 3-methoxy-2-{[(3r,6r)-6- methyl-1-{[3-methyl-2-(2h- 1,2,3-triazol-2- yl)phenyl]carbonyl}piperidin- 3-yl]oxy}pyridine-4- carbonitrile::US9546152, example 101

SMILES: COc1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cccc(C)c2-n2nccn2)nccc1C#N

InChI Key: InChIKey=GEOIUXUDTWHWHP-SJLPKXTDSA-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 = 205986   

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))	BDBM205986 (3-methoxy-2-{[(3r,6r)-6- methyl-1-{[3-methyl-2-(2h...) Show SMILES COc1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cccc(C)c2-n2nccn2)nccc1C#N |r| Show InChI InChI=1S/C23H24N6O3/c1-15-5-4-6-19(20(15)29-26-11-12-27-29)23(30)28-14-18(8-7-16(28)2)32-22-21(31-3)17(13-24)9-10-25-22/h4-6,9-12,16,18H,7-8,14H2,1-3H3/t16-,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))	BDBM205986 (3-methoxy-2-{[(3r,6r)-6- methyl-1-{[3-methyl-2-(2h...) Show SMILES COc1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cccc(C)c2-n2nccn2)nccc1C#N |r| Show InChI InChI=1S/C23H24N6O3/c1-15-5-4-6-19(20(15)29-26-11-12-27-29)23(30)28-14-18(8-7-16(28)2)32-22-21(31-3)17(13-24)9-10-25-22/h4-6,9-12,16,18H,7-8,14H2,1-3H3/t16-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	125	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))	BDBM205986 (3-methoxy-2-{[(3r,6r)-6- methyl-1-{[3-methyl-2-(2h...) Show SMILES COc1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cccc(C)c2-n2nccn2)nccc1C#N |r| Show InChI InChI=1S/C23H24N6O3/c1-15-5-4-6-19(20(15)29-26-11-12-27-29)23(30)28-14-18(8-7-16(28)2)32-22-21(31-3)17(13-24)9-10-25-22/h4-6,9-12,16,18H,7-8,14H2,1-3H3/t16-,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	21	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))	BDBM205986 (3-methoxy-2-{[(3r,6r)-6- methyl-1-{[3-methyl-2-(2h...) Show SMILES COc1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cccc(C)c2-n2nccn2)nccc1C#N |r| Show InChI InChI=1S/C23H24N6O3/c1-15-5-4-6-19(20(15)29-26-11-12-27-29)23(30)28-14-18(8-7-16(28)2)32-22-21(31-3)17(13-24)9-10-25-22/h4-6,9-12,16,18H,7-8,14H2,1-3H3/t16-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	957	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