BDBM50413101 CHEMBL486747

SMILES: COc1ccc(OCCCN(CC(=O)NCc2ccccc2)Cc2cccs2)cc1OC

InChI Key: InChIKey=OYXDTXSFNWPPOR-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 = 50413101   

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))	BDBM50413101 (CHEMBL486747) Show SMILES COc1ccc(OCCCN(CC(=O)NCc2ccccc2)Cc2cccs2)cc1OC Show InChI InChI=1S/C25H30N2O4S/c1-29-23-12-11-21(16-24(23)30-2)31-14-7-13-27(18-22-10-6-15-32-22)19-25(28)26-17-20-8-4-3-5-9-20/h3-6,8-12,15-16H,7,13-14,17-19H2,1-2H3,(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	132	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human OX2 receptor expressed in HEK293 cells assessed as inhibition of human orexin-A-stimulated calcium release by FLIPR assa...				Bioorg Med Chem Lett 18: 5420-3 (2008) Article DOI: 10.1016/j.bmcl.2008.09.038 BindingDB Entry DOI: 10.7270/Q27082N5
					More data for this Ligand-Target Pair