BDBM294359 Methyl 4-cyano-2-(((3R,6R)-1-(2-cyclobutylbenzoyl)-6-methylpiperidin-3-yl)oxy)nicotinate ::US9586950, 26

SMILES: COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2C2CCC2)nccc1C#N

InChI Key: InChIKey=KPLRCAPJIDYLAU-VQIMIIECSA-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 = 294359   

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))	BDBM294359 (Methyl 4-cyano-2-(((3R,6R)-1-(2-cyclobutylbenzoyl)...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2C2CCC2)nccc1C#N Show InChI InChI=1S/C25H27N3O4/c1-16-10-11-19(32-23-22(25(30)31-2)18(14-26)12-13-27-23)15-28(16)24(29)21-9-4-3-8-20(21)17-6-5-7-17/h3-4,8-9,12-13,16-17,19H,5-7,10-11,15H2,1-2H3/t16-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM294359 (Methyl 4-cyano-2-(((3R,6R)-1-(2-cyclobutylbenzoyl)...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2C2CCC2)nccc1C#N Show InChI InChI=1S/C25H27N3O4/c1-16-10-11-19(32-23-22(25(30)31-2)18(14-26)12-13-27-23)15-28(16)24(29)21-9-4-3-8-20(21)17-6-5-7-17/h3-4,8-9,12-13,16-17,19H,5-7,10-11,15H2,1-2H3/t16-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	241	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM294359 (Methyl 4-cyano-2-(((3R,6R)-1-(2-cyclobutylbenzoyl)...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2C2CCC2)nccc1C#N Show InChI InChI=1S/C25H27N3O4/c1-16-10-11-19(32-23-22(25(30)31-2)18(14-26)12-13-27-23)15-28(16)24(29)21-9-4-3-8-20(21)17-6-5-7-17/h3-4,8-9,12-13,16-17,19H,5-7,10-11,15H2,1-2H3/t16-,19-/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	19.3	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description . In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with ...				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM294359 (Methyl 4-cyano-2-(((3R,6R)-1-(2-cyclobutylbenzoyl)...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2C2CCC2)nccc1C#N Show InChI InChI=1S/C25H27N3O4/c1-16-10-11-19(32-23-22(25(30)31-2)18(14-26)12-13-27-23)15-28(16)24(29)21-9-4-3-8-20(21)17-6-5-7-17/h3-4,8-9,12-13,16-17,19H,5-7,10-11,15H2,1-2H3/t16-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description . In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with ...				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair