BDBM50247983 CHEMBL454407::cis-1-methyl-5-(phenylethynyl)-3-(piperidin-1-ylmethyl)pyrrolidin-2-one
SMILES: CN1[C@@H](C[C@H](CN2CCCCC2)C1=O)C#Cc1ccccc1
InChI Key: InChIKey=VKXYLXZLODSKCD-QZTJIDSGSA-N
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 |
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Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM50247983 (CHEMBL454407 | cis-1-methyl-5-(phenylethynyl)-3-(p...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 6.85E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research Curated by ChEMBL | Assay Description Inhibition of human ERG by patch-clamp technique | Bioorg Med Chem Lett 19: 1287-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.073 BindingDB Entry DOI: 10.7270/Q2GM875B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human)) | BDBM50247983 (CHEMBL454407 | cis-1-methyl-5-(phenylethynyl)-3-(p...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research Curated by ChEMBL | Assay Description Agonist activity at human recombinant alpha7 nAChR expressed in rat GH3 cells by calcium influx assay | Bioorg Med Chem Lett 19: 1287-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.073 BindingDB Entry DOI: 10.7270/Q2GM875B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholine receptor subunit alpha (Homo sapiens (Human)) | BDBM50247983 (CHEMBL454407 | cis-1-methyl-5-(phenylethynyl)-3-(p...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.26E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research Curated by ChEMBL | Assay Description Antagonist activity at human alpha-1-beta-1-gamma-delta nAChR expressed in human TE671 cells by calcium influx assay | Bioorg Med Chem Lett 19: 1287-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.073 BindingDB Entry DOI: 10.7270/Q2GM875B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 3A (Homo sapiens (Human)) | BDBM50247983 (CHEMBL454407 | cis-1-methyl-5-(phenylethynyl)-3-(p...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.51E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research Curated by ChEMBL | Assay Description Antagonist activity at human 5HT3 receptor by calcium influx assay | Bioorg Med Chem Lett 19: 1287-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.073 BindingDB Entry DOI: 10.7270/Q2GM875B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (Human)) | BDBM50247983 (CHEMBL454407 | cis-1-methyl-5-(phenylethynyl)-3-(p...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 7.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research Curated by ChEMBL | Assay Description Antagonist activity at human alpha4beta2 nAChR expressed in HEK293 cells by calcium influx assay | Bioorg Med Chem Lett 19: 1287-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.073 BindingDB Entry DOI: 10.7270/Q2GM875B | |||||||||||
More data for this Ligand-Target Pair |