null

SMILES: C[C@@H]1CC[C@H](CN1C(=O)c1cccnc1-n1cccn1)n1cc(cn1)C(C)(C)O

InChI Key: InChIKey=DHSHERCUNIPCCQ-NVXWUHKLSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 401874   

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))	BDBM401874 (2-{1-[(3R,6R)-6-Methyl-1-{[2-(1H- pyrazol-1-yl)pyr...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cccnc1-n1cccn1)n1cc(cn1)C(C)(C)O |r| Show InChI InChI=1S/C21H26N6O2/c1-15-7-8-17(27-13-16(12-24-27)21(2,3)29)14-25(15)20(28)18-6-4-9-22-19(18)26-11-5-10-23-26/h4-6,9-13,15,17,29H,7-8,14H2,1-3H3/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	>1.00E+4	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))	BDBM401874 (2-{1-[(3R,6R)-6-Methyl-1-{[2-(1H- pyrazol-1-yl)pyr...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cccnc1-n1cccn1)n1cc(cn1)C(C)(C)O |r| Show InChI InChI=1S/C21H26N6O2/c1-15-7-8-17(27-13-16(12-24-27)21(2,3)29)14-25(15)20(28)18-6-4-9-22-19(18)26-11-5-10-23-26/h4-6,9-13,15,17,29H,7-8,14H2,1-3H3/t15-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	33.6	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