BDBM50413091 CHEMBL487980

SMILES: COc1ccc(OCCN(CC(=O)NCC(C)C)Cc2cccs2)cc1OC

InChI Key: InChIKey=DCZWPAABVCOXOF-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 = 50413091   

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))	BDBM50413091 (CHEMBL487980) Show SMILES COc1ccc(OCCN(CC(=O)NCC(C)C)Cc2cccs2)cc1OC Show InChI InChI=1S/C21H30N2O4S/c1-16(2)13-22-21(24)15-23(14-18-6-5-11-28-18)9-10-27-17-7-8-19(25-3)20(12-17)26-4/h5-8,11-12,16H,9-10,13-15H2,1-4H3,(H,22,24)	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	324	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