BDBM221403 US9303023, 100

SMILES: COc1cc2ccn(CCn3nc(C)c(NC(=O)c4ncoc4-c4cccc(C)c4)c3C)c2cc1OC

InChI Key: InChIKey=MBJLTWHRJKMWEB-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 = 221403   

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))	BDBM221403 (US9303023, 100) Show SMILES COc1cc2ccn(CCn3nc(C)c(NC(=O)c4ncoc4-c4cccc(C)c4)c3C)c2cc1OC Show InChI InChI=1S/C28H29N5O4/c1-17-7-6-8-21(13-17)27-26(29-16-37-27)28(34)30-25-18(2)31-33(19(25)3)12-11-32-10-9-20-14-23(35-4)24(36-5)15-22(20)32/h6-10,13-16H,11-12H2,1-5H3,(H,30,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	472	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