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SMILES: C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)n1cc(c(C)n1)C(C)(C)O

InChI Key: InChIKey=RQUHFGINAMUUAO-NVXWUHKLSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 401891   

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/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM401891 (2-{3-Methyl-1-[(3R,6R)-6-methyl-1-{[2-(2H-1,2,3-tr...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)n1cc(c(C)n1)C(C)(C)O |r| Show InChI InChI=1S/C22H28N6O2/c1-15-9-10-17(27-14-19(16(2)25-27)22(3,4)30)13-26(15)21(29)18-7-5-6-8-20(18)28-23-11-12-24-28/h5-8,11-12,14-15,17,30H,9-10,13H2,1-4H3/t15-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	339	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/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM401891 (2-{3-Methyl-1-[(3R,6R)-6-methyl-1-{[2-(2H-1,2,3-tr...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)n1cc(c(C)n1)C(C)(C)O |r| Show InChI InChI=1S/C22H28N6O2/c1-15-9-10-17(27-14-19(16(2)25-27)22(3,4)30)13-26(15)21(29)18-7-5-6-8-20(18)28-23-11-12-24-28/h5-8,11-12,14-15,17,30H,9-10,13H2,1-4H3/t15-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13.8	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