BDBM401853 2-(2-{(3R,6R)-1-[(2- Ethoxyphenyl)carbonyl]-6- methylpiperidin-3-yl}-5-methyl- 2H-1,2,3-triazol-4-yl)propan-2-ol::US10010539, 69

SMILES: CCOc1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)n1nc(C)c(n1)C(C)(C)O

InChI Key: InChIKey=PCTSOLDNZSVKNF-GDBMZVCRSA-N

Data: 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 2 hits for monomerid = 401853   

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 1 (Homo sapiens (Human))	BDBM401853 (2-(2-{(3R,6R)-1-[(2- Ethoxyphenyl)carbonyl]-6- met...) Show SMILES CCOc1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)n1nc(C)c(n1)C(C)(C)O |r| Show InChI InChI=1S/C21H30N4O3/c1-6-28-18-10-8-7-9-17(18)20(26)24-13-16(12-11-14(24)2)25-22-15(3)19(23-25)21(4,5)27/h7-10,14,16,27H,6,11-13H2,1-5H3/t14-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester					Assay Description For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...				J Med Chem 52: 7142-56 (2009) BindingDB Entry DOI: 10.7270/Q2S75JPN
					More data for this Ligand-Target Pair
Orexin receptor type 1 (OX1) (Rattus norvegicus (Rat))	BDBM401853 (2-(2-{(3R,6R)-1-[(2- Ethoxyphenyl)carbonyl]-6- met...) Show SMILES CCOc1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)n1nc(C)c(n1)C(C)(C)O |r| Show InChI InChI=1S/C21H30N4O3/c1-6-28-18-10-8-7-9-17(18)20(26)24-13-16(12-11-14(24)2)25-22-15(3)19(23-25)21(4,5)27/h7-10,14,16,27H,6,11-13H2,1-5H3/t14-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester					Assay Description For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...				J Med Chem 52: 7142-56 (2009) BindingDB Entry DOI: 10.7270/Q2S75JPN
					More data for this Ligand-Target Pair