BDBM205185 3-methyl-2-({(3r,6r)-6- methyl-1-[(2-pyrimidin-2- ylthiophen-2- yl)carbonyl]piperidin-3- yl}oxy)pyridine-4- carbonitrile::US9546152, example 77

SMILES: C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-c1ncccn1)Oc1nccc(C#N)c1C

InChI Key: InChIKey=RTWGBTNAHXBWJA-RHSMWYFYSA-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 = 205185   

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))	BDBM205185 (3-methyl-2-({(3r,6r)-6- methyl-1-[(2-pyrimidin-2- ...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-c1ncccn1)Oc1nccc(C#N)c1C |r| Show InChI InChI=1S/C22H21N5O2S/c1-14-4-5-17(29-21-15(2)16(12-23)6-10-26-21)13-27(14)22(28)18-7-11-30-19(18)20-24-8-3-9-25-20/h3,6-11,14,17H,4-5,13H2,1-2H3/t14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.600	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))	BDBM205185 (3-methyl-2-({(3r,6r)-6- methyl-1-[(2-pyrimidin-2- ...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-c1ncccn1)Oc1nccc(C#N)c1C |r| Show InChI InChI=1S/C22H21N5O2S/c1-14-4-5-17(29-21-15(2)16(12-23)6-10-26-21)13-27(14)22(28)18-7-11-30-19(18)20-24-8-3-9-25-20/h3,6-11,14,17H,4-5,13H2,1-2H3/t14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	253	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))	BDBM205185 (3-methyl-2-({(3r,6r)-6- methyl-1-[(2-pyrimidin-2- ...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-c1ncccn1)Oc1nccc(C#N)c1C |r| Show InChI InChI=1S/C22H21N5O2S/c1-14-4-5-17(29-21-15(2)16(12-23)6-10-26-21)13-27(14)22(28)18-7-11-30-19(18)20-24-8-3-9-25-20/h3,6-11,14,17H,4-5,13H2,1-2H3/t14-,17-/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	29	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))	BDBM205185 (3-methyl-2-({(3r,6r)-6- methyl-1-[(2-pyrimidin-2- ...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-c1ncccn1)Oc1nccc(C#N)c1C |r| Show InChI InChI=1S/C22H21N5O2S/c1-14-4-5-17(29-21-15(2)16(12-23)6-10-26-21)13-27(14)22(28)18-7-11-30-19(18)20-24-8-3-9-25-20/h3,6-11,14,17H,4-5,13H2,1-2H3/t14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.02E+3	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