BDBM50023702 5-Methyl-3-prop-2-ynyloxy-6,7-dihydro-4H-thiopyrano[3,4-d]isoxazol-5-ium; iodide::CHEMBL284208

SMILES: C[S+]1CCc2onc(OCC#C)c2C1

InChI Key: InChIKey=QTPBITUPAMJEGP-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50023702   

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
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50023702 (5-Methyl-3-prop-2-ynyloxy-6,7-dihydro-4H-thiopyran...) Show SMILES C[S+]1CCc2onc(OCC#C)c2C1 Show InChI InChI=1S/C10H12NO2S/c1-3-5-12-10-8-7-14(2)6-4-9(8)13-11-10/h1H,4-7H2,2H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Royal Danish School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of [3H]quinuclidinyl benzilate binding to Muscarinic acetylcholine receptor M2 in rat brain membrane				J Med Chem 31: 1312-6 (1988) BindingDB Entry DOI: 10.7270/Q2B27VW2
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor (RAT)	BDBM50023702 (5-Methyl-3-prop-2-ynyloxy-6,7-dihydro-4H-thiopyran...) Show SMILES C[S+]1CCc2onc(OCC#C)c2C1 Show InChI InChI=1S/C10H12NO2S/c1-3-5-12-10-8-7-14(2)6-4-9(8)13-11-10/h1H,4-7H2,2H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Royal Danish School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of [3H]oxotremorine-M binding to rat brain membrane Muscarinic acetylcholine receptor				J Med Chem 31: 1312-6 (1988) BindingDB Entry DOI: 10.7270/Q2B27VW2
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50023702 (5-Methyl-3-prop-2-ynyloxy-6,7-dihydro-4H-thiopyran...) Show SMILES C[S+]1CCc2onc(OCC#C)c2C1 Show InChI InChI=1S/C10H12NO2S/c1-3-5-12-10-8-7-14(2)6-4-9(8)13-11-10/h1H,4-7H2,2H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Royal Danish School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of [3H]quinuclidinyl benzilate binding to Muscarinic acetylcholine receptor M2 of rat heart				J Med Chem 31: 1312-6 (1988) BindingDB Entry DOI: 10.7270/Q2B27VW2
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50023702 (5-Methyl-3-prop-2-ynyloxy-6,7-dihydro-4H-thiopyran...) Show SMILES C[S+]1CCc2onc(OCC#C)c2C1 Show InChI InChI=1S/C10H12NO2S/c1-3-5-12-10-8-7-14(2)6-4-9(8)13-11-10/h1H,4-7H2,2H3/q+1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Royal Danish School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of [3H]pirenzepine binding to rat brain membrane Muscarinic acetylcholine receptor M1				J Med Chem 31: 1312-6 (1988) BindingDB Entry DOI: 10.7270/Q2B27VW2
					More data for this Ligand-Target Pair