BDBM205104 2-{[(3r,6r)-1-{[2-methoxy-6- (2h-1,2,3-triazol-2- yl)phenyl]carbonyl}-6- methylpiperidin-3-yl]oxy}-3- methylpyridine-4-carbonitrile::US9546152, example 14

SMILES: COc1cccc(c1C(=O)N1C[C@@H](CC[C@H]1C)Oc1nccc(C#N)c1C)-n1nccn1

InChI Key: InChIKey=XSLIXPOJDOPWIK-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 = 205104   

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))	BDBM205104 (2-{[(3r,6r)-1-{[2-methoxy-6- (2h-1,2,3-triazol-2- ...) Show SMILES COc1cccc(c1C(=O)N1C[C@@H](CC[C@H]1C)Oc1nccc(C#N)c1C)-n1nccn1 |r| Show InChI InChI=1S/C23H24N6O3/c1-15-7-8-18(32-22-16(2)17(13-24)9-10-25-22)14-28(15)23(30)21-19(29-26-11-12-27-29)5-4-6-20(21)31-3/h4-6,9-12,15,18H,7-8,14H2,1-3H3/t15-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.200	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))	BDBM205104 (2-{[(3r,6r)-1-{[2-methoxy-6- (2h-1,2,3-triazol-2- ...) Show SMILES COc1cccc(c1C(=O)N1C[C@@H](CC[C@H]1C)Oc1nccc(C#N)c1C)-n1nccn1 |r| Show InChI InChI=1S/C23H24N6O3/c1-15-7-8-18(32-22-16(2)17(13-24)9-10-25-22)14-28(15)23(30)21-19(29-26-11-12-27-29)5-4-6-20(21)31-3/h4-6,9-12,15,18H,7-8,14H2,1-3H3/t15-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	132	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))	BDBM205104 (2-{[(3r,6r)-1-{[2-methoxy-6- (2h-1,2,3-triazol-2- ...) Show SMILES COc1cccc(c1C(=O)N1C[C@@H](CC[C@H]1C)Oc1nccc(C#N)c1C)-n1nccn1 |r| Show InChI InChI=1S/C23H24N6O3/c1-15-7-8-18(32-22-16(2)17(13-24)9-10-25-22)14-28(15)23(30)21-19(29-26-11-12-27-29)5-4-6-20(21)31-3/h4-6,9-12,15,18H,7-8,14H2,1-3H3/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	15	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))	BDBM205104 (2-{[(3r,6r)-1-{[2-methoxy-6- (2h-1,2,3-triazol-2- ...) Show SMILES COc1cccc(c1C(=O)N1C[C@@H](CC[C@H]1C)Oc1nccc(C#N)c1C)-n1nccn1 |r| Show InChI InChI=1S/C23H24N6O3/c1-15-7-8-18(32-22-16(2)17(13-24)9-10-25-22)14-28(15)23(30)21-19(29-26-11-12-27-29)5-4-6-20(21)31-3/h4-6,9-12,15,18H,7-8,14H2,1-3H3/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	507	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