Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Neuropeptide S receptor' and Ligand = 'BDBM50443395'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Neuropeptide S receptor (Homo sapiens (Human))	BDBM50443395 (CHEMBL1315807) Show SMILES Cc1c(n2ccccc2[n+]1CCc1ccccc1)P(=S)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H26N2PS/c1-23-28(31(32,25-15-7-3-8-16-25)26-17-9-4-10-18-26)30-21-12-11-19-27(30)29(23)22-20-24-13-5-2-6-14-24/h2-19,21H,20,22H2,1H3/q+1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	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 ERK activation after 20 ...				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))	BDBM50443395 (CHEMBL1315807) Show SMILES Cc1c(n2ccccc2[n+]1CCc1ccccc1)P(=S)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H26N2PS/c1-23-28(31(32,25-15-7-3-8-16-25)26-17-9-4-10-18-26)30-21-12-11-19-27(30)29(23)22-20-24-13-5-2-6-14-24/h2-19,21H,20,22H2,1H3/q+1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	73	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
Neuropeptide S receptor (Homo sapiens (Human))	BDBM50443395 (CHEMBL1315807) Show SMILES Cc1c(n2ccccc2[n+]1CCc1ccccc1)P(=S)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H26N2PS/c1-23-28(31(32,25-15-7-3-8-16-25)26-17-9-4-10-18-26)30-21-12-11-19-27(30)29(23)22-20-24-13-5-2-6-14-24/h2-19,21H,20,22H2,1H3/q+1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	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