BDBM50322839 CHEMBL1210313::N-(3-methyl-1-morpholinopentan-3-yl)-N-((1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl)cyclohexanecarboxamide::rac-N-(3-methyl-1-morpholinopentan-3-yl)-N-((1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl)cyclohexanecarboxamide
SMILES: CCC(C)(CCN1CCOCC1)N(Cc1cc2ccccc2n(C)c1=O)C(=O)C1CCCCC1
InChI Key: InChIKey=FWHNGUFKFXDMER-UHFFFAOYSA-N
Data: 9 IC50
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)) | BDBM50322839 (CHEMBL1210313 | N-(3-methyl-1-morpholinopentan-3-y...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 23 | 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: 4700-3 (2010) Article DOI: 10.1016/j.bmcl.2010.04.143 BindingDB Entry DOI: 10.7270/Q2PR7W6H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuropeptide S receptor (Homo sapiens (Human)) | BDBM50322839 (CHEMBL1210313 | N-(3-methyl-1-morpholinopentan-3-y...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 10 | 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: 4700-3 (2010) Article DOI: 10.1016/j.bmcl.2010.04.143 BindingDB Entry DOI: 10.7270/Q2PR7W6H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuropeptide S receptor (Homo sapiens (Human)) | BDBM50322839 (CHEMBL1210313 | N-(3-methyl-1-morpholinopentan-3-y...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 785 | 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: 4700-3 (2010) Article DOI: 10.1016/j.bmcl.2010.04.143 BindingDB Entry DOI: 10.7270/Q2PR7W6H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuropeptide S receptor (Homo sapiens (Human)) | BDBM50322839 (CHEMBL1210313 | N-(3-methyl-1-morpholinopentan-3-y...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.70 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health Curated by ChEMBL | Assay Description Displacement of [125I]Tyr10-NPS from human neuropeptide S receptor expressed in CHO cells after 1.5 hrs by liquid scintillation counting | 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)) | BDBM50322839 (CHEMBL1210313 | N-(3-methyl-1-morpholinopentan-3-y...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 10 | 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) assessed as intracellular calcium level by cell based assay | 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)) | BDBM50322839 (CHEMBL1210313 | N-(3-methyl-1-morpholinopentan-3-y...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 55 | 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)) | BDBM50322839 (CHEMBL1210313 | N-(3-methyl-1-morpholinopentan-3-y...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.20 | 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)) | BDBM50322839 (CHEMBL1210313 | N-(3-methyl-1-morpholinopentan-3-y...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health Curated by ChEMBL | Assay Description Displacement of [125I]Tyr10-NPS from neuropeptide S receptor (unknown origin) | 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)) | BDBM50322839 (CHEMBL1210313 | N-(3-methyl-1-morpholinopentan-3-y...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 11 | 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 |