Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Ligand = 'BDBM50004665'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Muscarinic acetylcholine receptor M3 (RAT)	BDBM50004665 ((oxotremorine)1-(4-Pyrrolidin-1-yl-but-2-ynyl)-pyr...) Show SMILES O=C1CCCN1CC#CCN1CCCC1 Show InChI InChI=1S/C12H18N2O/c15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13/h1-2,5-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Binding affinity to Muscarinic acetylcholine receptor M3 by measuring its ability to displace [3H]N-methylscopolamine binding in rat submandibulary g...				J Med Chem 41: 3220-31 (1998) Article DOI: 10.1021/jm9708588 BindingDB Entry DOI: 10.7270/Q2M32ZH9
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50004665 ((oxotremorine)1-(4-Pyrrolidin-1-yl-but-2-ynyl)-pyr...) Show SMILES O=C1CCCN1CC#CCN1CCCC1 Show InChI InChI=1S/C12H18N2O/c15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13/h1-2,5-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Compound was evaluated for its ability to displace [3H]-N-methylscopolamine ([3H]-NMS) binding to cloned CHO cell lines expressing Muscarinic acetylc...				J Med Chem 41: 109-16 (1998) Article DOI: 10.1021/jm9705216 BindingDB Entry DOI: 10.7270/Q2BV7FQS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50004665 ((oxotremorine)1-(4-Pyrrolidin-1-yl-but-2-ynyl)-pyr...) Show SMILES O=C1CCCN1CC#CCN1CCCC1 Show InChI InChI=1S/C12H18N2O/c15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13/h1-2,5-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	210	n/a	n/a	n/a	n/a
Royal Danish School of Pharmacy Curated by ChEMBL					Assay Description In Vitro activity at the cloned Human Muscarinic acetylcholine receptor M3 determined by receptor selection and amplification technology (R-SAT)				J Med Chem 38: 2188-95 (1995) BindingDB Entry DOI: 10.7270/Q28K7838
					More data for this Ligand-Target Pair