BDBM50413102 CHEMBL486542

SMILES: COc1ccc(OCCCN(CC(=O)NCc2ccccc2)Cc2ccc(F)c(F)c2)cc1OC

InChI Key: InChIKey=XYAUEJZEYBWBSI-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 = 50413102   

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))	BDBM50413102 (CHEMBL486542) Show SMILES COc1ccc(OCCCN(CC(=O)NCc2ccccc2)Cc2ccc(F)c(F)c2)cc1OC Show InChI InChI=1S/C27H30F2N2O4/c1-33-25-12-10-22(16-26(25)34-2)35-14-6-13-31(18-21-9-11-23(28)24(29)15-21)19-27(32)30-17-20-7-4-3-5-8-20/h3-5,7-12,15-16H,6,13-14,17-19H2,1-2H3,(H,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	107	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