BDBM50296181 (+/-)-1-{3-[4-(3-Methyl-4,4-dioxo-3,4-dihydro-2H-4lambda*6*-benzo[1,4]oxathiin-2-yl)-phenoxy]-propyl}-pyrrolidine::CHEMBL562326
SMILES: CC1C(Oc2ccccc2S1(=O)=O)c1ccc(OCCCN2CCCC2)cc1
InChI Key: InChIKey=ITYMMRKSCDTSQX-UHFFFAOYSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM50296181 ((+/-)-1-{3-[4-(3-Methyl-4,4-dioxo-3,4-dihydro-2H-4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsukuba Research Institute Curated by ChEMBL | Assay Description Inhibition of [35S]MK499 binding to human ERG transfected in HEK293 cells by microscintillation counting | Bioorg Med Chem Lett 19: 4232-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.101 BindingDB Entry DOI: 10.7270/Q20G3K69 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H3 receptor (Homo sapiens (Human)) | BDBM50296181 ((+/-)-1-{3-[4-(3-Methyl-4,4-dioxo-3,4-dihydro-2H-4...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsukuba Research Institute Curated by ChEMBL | Assay Description Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of R-alpha-methylistamine-induced [35S]GTPgammaS binding by cel... | Bioorg Med Chem Lett 19: 4232-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.101 BindingDB Entry DOI: 10.7270/Q20G3K69 | |||||||||||
More data for this Ligand-Target Pair |