BDBM50348618 CHEMBL1801362

SMILES: Brc1ccc(cc1)C1(Cc2ccccc2)c2cccnc2-c2nccn12

InChI Key: InChIKey=GUBSWFZQCIYNGR-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 = 50348618   

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))	BDBM50348618 (CHEMBL1801362) Show SMILES Brc1ccc(cc1)C1(Cc2ccccc2)c2cccnc2-c2nccn12 Show InChI InChI=1S/C22H16BrN3/c23-18-10-8-17(9-11-18)22(15-16-5-2-1-3-6-16)19-7-4-12-24-20(19)21-25-13-14-26(21)22/h1-14H,15H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.46E+3	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