BDBM50348592 CHEMBL1801317

SMILES: Brc1ccc(cc1)C1(CCC2CCOCC2)c2ccccc2-c2nccn12

InChI Key: InChIKey=XPRHNWSRKLFWHX-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 = 50348592   

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
Neuropeptide S receptor (Homo sapiens (Human))	BDBM50348592 (CHEMBL1801317) Show SMILES Brc1ccc(cc1)C1(CCC2CCOCC2)c2ccccc2-c2nccn12 Show InChI InChI=1S/C23H23BrN2O/c24-19-7-5-18(6-8-19)23(12-9-17-10-15-27-16-11-17)21-4-2-1-3-20(21)22-25-13-14-26(22)23/h1-8,13-14,17H,9-12,15-16H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	154	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...				Bioorg Med Chem Lett 20: 4704-8 (2010) Article DOI: 10.1016/j.bmcl.2010.04.016 BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
					More data for this Ligand-Target Pair