Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M1/M2/M3/M4/M5' and Ligand = 'BDBM50229393'   

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 M1/M2/M3/M4/M5 (RAT)	BDBM50229393 (CHEMBL74426) Show SMILES CC(C#CCN1CCCC1)N1CCN(C)C1=O Show InChI InChI=1S/C13H21N3O/c1-12(16-11-10-14(2)13(16)17)6-5-9-15-7-3-4-8-15/h12H,3-4,7-11H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Company Curated by ChEMBL					Assay Description Binding affinity to muscarinic acetylcholine receptor was determined in presence of [3H]OXO-M radioligand (in vitro)				J Med Chem 34: 2314-27 (1991) BindingDB Entry DOI: 10.7270/Q2057J5V
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50229393 (CHEMBL74426) Show SMILES CC(C#CCN1CCCC1)N1CCN(C)C1=O Show InChI InChI=1S/C13H21N3O/c1-12(16-11-10-14(2)13(16)17)6-5-9-15-7-3-4-8-15/h12H,3-4,7-11H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Company Curated by ChEMBL					Assay Description Binding affinity to muscarinic acetylcholine receptor was determined in presence of [3H]QNB radioligand (in vitro)				J Med Chem 34: 2314-27 (1991) BindingDB Entry DOI: 10.7270/Q2057J5V
					More data for this Ligand-Target Pair