null

SMILES: CC(C)Oc1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)n1ncc(n1)C(C)(C)O

InChI Key: InChIKey=ZWGDLUWNDZQYSJ-HZPDHXFCSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 401800   

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))	BDBM401800 (((2R,5R)-5-(4-(2-Hydroxypropan-2-yl)-2H-1,2,3-tria...) Show SMILES CC(C)Oc1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)n1ncc(n1)C(C)(C)O Show InChI InChI=1S/C21H30N4O3/c1-14(2)28-18-9-7-6-8-17(18)20(26)24-13-16(11-10-15(24)3)25-22-12-19(23-25)21(4,5)27/h6-9,12,14-16,27H,10-11,13H2,1-5H3/t15-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.68E+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/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM401800 (((2R,5R)-5-(4-(2-Hydroxypropan-2-yl)-2H-1,2,3-tria...) Show SMILES CC(C)Oc1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)n1ncc(n1)C(C)(C)O Show InChI InChI=1S/C21H30N4O3/c1-14(2)28-18-9-7-6-8-17(18)20(26)24-13-16(11-10-15(24)3)25-22-12-19(23-25)21(4,5)27/h6-9,12,14-16,27H,10-11,13H2,1-5H3/t15-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16.1	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