BDBM205123 3-methyl-2-{[(3r,6r)-6- methyl-1-{[2-(1,3-thiazol-2- yl)thiophen-3- yl]carbonyl}piperidin-3- yl]oxy}pyridine-4-carbonitrile::US9546152, example 32

SMILES: C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-c1nccs1)Oc1nccc(C#N)c1C

InChI Key: InChIKey=CXPNMJKLLBPCNK-CZUORRHYSA-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 = 205123   

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))	BDBM205123 (3-methyl-2-{[(3r,6r)-6- methyl-1-{[2-(1,3-thiazol-...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-c1nccs1)Oc1nccc(C#N)c1C |r| Show InChI InChI=1S/C21H20N4O2S2/c1-13-3-4-16(27-19-14(2)15(11-22)5-7-23-19)12-25(13)21(26)17-6-9-28-18(17)20-24-8-10-29-20/h5-10,13,16H,3-4,12H2,1-2H3/t13-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.700	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))	BDBM205123 (3-methyl-2-{[(3r,6r)-6- methyl-1-{[2-(1,3-thiazol-...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-c1nccs1)Oc1nccc(C#N)c1C |r| Show InChI InChI=1S/C21H20N4O2S2/c1-13-3-4-16(27-19-14(2)15(11-22)5-7-23-19)12-25(13)21(26)17-6-9-28-18(17)20-24-8-10-29-20/h5-10,13,16H,3-4,12H2,1-2H3/t13-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	516	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))	BDBM205123 (3-methyl-2-{[(3r,6r)-6- methyl-1-{[2-(1,3-thiazol-...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-c1nccs1)Oc1nccc(C#N)c1C |r| Show InChI InChI=1S/C21H20N4O2S2/c1-13-3-4-16(27-19-14(2)15(11-22)5-7-23-19)12-25(13)21(26)17-6-9-28-18(17)20-24-8-10-29-20/h5-10,13,16H,3-4,12H2,1-2H3/t13-,16-/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))	BDBM205123 (3-methyl-2-{[(3r,6r)-6- methyl-1-{[2-(1,3-thiazol-...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-c1nccs1)Oc1nccc(C#N)c1C |r| Show InChI InChI=1S/C21H20N4O2S2/c1-13-3-4-16(27-19-14(2)15(11-22)5-7-23-19)12-25(13)21(26)17-6-9-28-18(17)20-24-8-10-29-20/h5-10,13,16H,3-4,12H2,1-2H3/t13-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.88E+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