BDBM50024981 3-But-2-enyloxy-4,5,6,7-tetrahydro-isoxazolo[4,5-c]pyridin-5-ium; chloride::CHEMBL6375

SMILES: C\C=C\COc1noc2CC[NH2+]Cc12

InChI Key: InChIKey=ZUHJBGWBSGQTQF-NSCUHMNNSA-O

Data: 2 IC50  1 EC50

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 3 hits for monomerid = 50024981   

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 M3 (Homo sapiens (Human))	BDBM50024981 (3-But-2-enyloxy-4,5,6,7-tetrahydro-isoxazolo[4,5-c...) Show SMILES C\C=C\COc1noc2CC[NH2+]Cc12 Show InChI InChI=1S/C10H14N2O2/c1-2-3-6-13-10-8-7-11-5-4-9(8)14-12-10/h2-3,11H,4-7H2,1H3/p+1/b3-2+	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Contraction of guinea pig ileum by muscarinic AChR activation, which could be inhibited by application of atropine				J Med Chem 29: 1004-9 (1986) Article DOI: 10.1021/jm00156a018 BindingDB Entry DOI: 10.7270/Q2XP73XW
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor (RAT)	BDBM50024981 (3-But-2-enyloxy-4,5,6,7-tetrahydro-isoxazolo[4,5-c...) Show SMILES C\C=C\COc1noc2CC[NH2+]Cc12 Show InChI InChI=1S/C10H14N2O2/c1-2-3-6-13-10-8-7-11-5-4-9(8)14-12-10/h2-3,11H,4-7H2,1H3/p+1/b3-2+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of Angiotensin I converting enzyme activity in rabbit lung				J Med Chem 29: 1004-9 (1986) Article DOI: 10.1021/jm00156a018 BindingDB Entry DOI: 10.7270/Q2XP73XW
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor (Homo sapiens (Human))	BDBM50024981 (3-But-2-enyloxy-4,5,6,7-tetrahydro-isoxazolo[4,5-c...) Show SMILES C\C=C\COc1noc2CC[NH2+]Cc12 Show InChI InChI=1S/C10H14N2O2/c1-2-3-6-13-10-8-7-11-5-4-9(8)14-12-10/h2-3,11H,4-7H2,1H3/p+1/b3-2+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of Angiotensin I converting enzyme activity in rabbit lung				J Med Chem 29: 1004-9 (1986) Article DOI: 10.1021/jm00156a018 BindingDB Entry DOI: 10.7270/Q2XP73XW
					More data for this Ligand-Target Pair