BDBM221356 US9303023, 52

SMILES: COc1cc(OC)nc(NCCn2cc(NC(=O)c3ncoc3-c3cccc(F)c3)cn2)n1

InChI Key: InChIKey=JYHOTFFXAQDAPV-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 221356   

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))	BDBM221356 (US9303023, 52) Show SMILES COc1cc(OC)nc(NCCn2cc(NC(=O)c3ncoc3-c3cccc(F)c3)cn2)n1 Show InChI InChI=1S/C21H20FN7O4/c1-31-16-9-17(32-2)28-21(27-16)23-6-7-29-11-15(10-25-29)26-20(30)18-19(33-12-24-18)13-4-3-5-14(22)8-13/h3-5,8-12H,6-7H2,1-2H3,(H,26,30)(H,23,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	37
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...				US Patent US9303023 (2016) BindingDB Entry DOI: 10.7270/Q2251H10
					More data for this Ligand-Target Pair