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

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 = 50296181   

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...) Show SMILES CC1C(Oc2ccccc2S1(=O)=O)c1ccc(OCCCN2CCCC2)cc1 Show InChI InChI=1S/C22H27NO4S/c1-17-22(27-20-7-2-3-8-21(20)28(17,24)25)18-9-11-19(12-10-18)26-16-6-15-23-13-4-5-14-23/h2-3,7-12,17,22H,4-6,13-16H2,1H3	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...) Show SMILES CC1C(Oc2ccccc2S1(=O)=O)c1ccc(OCCCN2CCCC2)cc1 Show InChI InChI=1S/C22H27NO4S/c1-17-22(27-20-7-2-3-8-21(20)28(17,24)25)18-9-11-19(12-10-18)26-16-6-15-23-13-4-5-14-23/h2-3,7-12,17,22H,4-6,13-16H2,1H3	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