Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor' and Ligand = 'BDBM50004737'   

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 (Cavia porcellus)	BDBM50004737 (3-Methyl-1-(4-pyrrolidin-1-yl-but-2-ynyl)-pyrrolid...) Show SMILES CC1CCN(CC#CCN2CCCC2)C1=O Show InChI InChI=1S/C13H20N2O/c1-12-6-11-15(13(12)16)10-5-4-9-14-7-2-3-8-14/h12H,2-3,6-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	1.15E+4	n/a	n/a	n/a	n/a	n/a
University of Uppsala Curated by ChEMBL					Assay Description Dissociation constant for complex with muscarinic acetylcholine receptor M3 of guinea pig ileum				J Med Chem 35: 3270-9 (1992) BindingDB Entry DOI: 10.7270/Q2KP813K
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor (Cavia porcellus)	BDBM50004737 (3-Methyl-1-(4-pyrrolidin-1-yl-but-2-ynyl)-pyrrolid...) Show SMILES CC1CCN(CC#CCN2CCCC2)C1=O Show InChI InChI=1S/C13H20N2O/c1-12-6-11-15(13(12)16)10-5-4-9-14-7-2-3-8-14/h12H,2-3,6-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	500	n/a	n/a	n/a	n/a
University of Uppsala Curated by ChEMBL					Assay Description Muscarinic acetylcholine receptor M3 agonistic/antagonistic activity in guinea pig ileum				J Med Chem 35: 3270-9 (1992) BindingDB Entry DOI: 10.7270/Q2KP813K
					More data for this Ligand-Target Pair