BDBM50443400 CHEMBL3086821

SMILES: Cc1c(n2ccccc2[n+]1C\C=C\c1ccc(F)cc1)P(=S)(c1ccccc1)c1ccccc1

InChI Key: InChIKey=XBKJBGWWHRJFPB-ZHACJKMWSA-N

Data: 2 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 2 hits for monomerid = 50443400   

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))	BDBM50443400 (CHEMBL3086821) Show SMILES Cc1c(n2ccccc2[n+]1C\C=C\c1ccc(F)cc1)P(=S)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H25FN2PS/c1-23-29(33(34,26-12-4-2-5-13-26)27-14-6-3-7-15-27)32-21-9-8-16-28(32)31(23)22-10-11-24-17-19-25(30)20-18-24/h2-21H,22H2,1H3/q+1/b11-10+	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Antagonist activity at neuropeptide S receptor (unknown origin) expressed in CHO cells assessed as cAMP level after 30 mins by phosphate-buffered sal...				J Med Chem 56: 9045-56 (2013) Article DOI: 10.1021/jm400904m BindingDB Entry DOI: 10.7270/Q2NG4S3Q
					More data for this Ligand-Target Pair
Neuropeptide S receptor (Homo sapiens (Human))	BDBM50443400 (CHEMBL3086821) Show SMILES Cc1c(n2ccccc2[n+]1C\C=C\c1ccc(F)cc1)P(=S)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H25FN2PS/c1-23-29(33(34,26-12-4-2-5-13-26)27-14-6-3-7-15-27)32-21-9-8-16-28(32)31(23)22-10-11-24-17-19-25(30)20-18-24/h2-21H,22H2,1H3/q+1/b11-10+	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Antagonist activity at neuropeptide S receptor (unknown origin) expressed in CHO cells assessed as inhibition of NPS-induced calcium mobilization aft...				J Med Chem 56: 9045-56 (2013) Article DOI: 10.1021/jm400904m BindingDB Entry DOI: 10.7270/Q2NG4S3Q
					More data for this Ligand-Target Pair