BDBM294355 US9586950, 22::methyl 4-cyano-2-({(3R,6R)-1-[(4- fluoro-2-pyrimidin-2- ylphenyl)carbonyl]-6- methylpiperidin-3-yl}oxy)pyridine- 3-carboxylate

SMILES: COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccc(F)cc2-c2ncccn2)nccc1C#N

InChI Key: InChIKey=GGBAVEZTRXYIOP-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 = 294355   

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))	BDBM294355 (US9586950, 22 | methyl 4-cyano-2-({(3R,6R)-1-[(4- ...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccc(F)cc2-c2ncccn2)nccc1C#N Show InChI InChI=1S/C25H22FN5O4/c1-15-4-6-18(35-23-21(25(33)34-2)16(13-27)8-11-30-23)14-31(15)24(32)19-7-5-17(26)12-20(19)22-28-9-3-10-29-22/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	0.680	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))	BDBM294355 (US9586950, 22 | methyl 4-cyano-2-({(3R,6R)-1-[(4- ...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccc(F)cc2-c2ncccn2)nccc1C#N Show InChI InChI=1S/C25H22FN5O4/c1-15-4-6-18(35-23-21(25(33)34-2)16(13-27)8-11-30-23)14-31(15)24(32)19-7-5-17(26)12-20(19)22-28-9-3-10-29-22/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	75.6	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))	BDBM294355 (US9586950, 22 | methyl 4-cyano-2-({(3R,6R)-1-[(4- ...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccc(F)cc2-c2ncccn2)nccc1C#N Show InChI InChI=1S/C25H22FN5O4/c1-15-4-6-18(35-23-21(25(33)34-2)16(13-27)8-11-30-23)14-31(15)24(32)19-7-5-17(26)12-20(19)22-28-9-3-10-29-22/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	33.6	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))	BDBM294355 (US9586950, 22 | methyl 4-cyano-2-({(3R,6R)-1-[(4- ...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccc(F)cc2-c2ncccn2)nccc1C#N Show InChI InChI=1S/C25H22FN5O4/c1-15-4-6-18(35-23-21(25(33)34-2)16(13-27)8-11-30-23)14-31(15)24(32)19-7-5-17(26)12-20(19)22-28-9-3-10-29-22/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	711	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