null

SMILES: Fc1ccc(CCN(C(=O)OC2CN3CCC2CC3)c2ccccc2)cc1

InChI Key: InChIKey=UBXUDWCOFMMEAI-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50518557   

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 M5 (Homo sapiens (Human))	BDBM50518557 (CHEMBL4519301) Show SMILES Fc1ccc(CCN(C(=O)OC2CN3CCC2CC3)c2ccccc2)cc1 |TLB:10:11:14.15:17.18,(18.31,-36.25,;16.97,-35.49,;15.64,-36.26,;14.31,-35.49,;14.31,-33.95,;12.98,-33.18,;11.65,-33.95,;10.31,-33.18,;8.98,-33.95,;8.98,-35.49,;7.65,-33.18,;6.31,-33.95,;5.96,-35.38,;4.48,-34.87,;4.47,-32.84,;5.07,-31.58,;5.1,-33.5,;3.39,-33.95,;2.99,-35.39,;10.31,-31.64,;8.98,-30.87,;8.98,-29.32,;10.31,-28.55,;11.65,-29.32,;11.65,-30.87,;15.64,-33.17,;16.97,-33.94,)| Show InChI InChI=1S/C22H25FN2O2/c23-19-8-6-17(7-9-19)10-15-25(20-4-2-1-3-5-20)22(26)27-21-16-24-13-11-18(21)12-14-24/h1-9,18,21H,10-16H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human M5 AChR expressed in CHO cell membranes after 1 to 2 hrs by liquid scintillation spectrometry method				Bioorg Med Chem Lett 29: 471-476 (2019) Article DOI: 10.1016/j.bmcl.2018.12.022 BindingDB Entry DOI: 10.7270/Q2NP27SC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50518557 (CHEMBL4519301) Show SMILES Fc1ccc(CCN(C(=O)OC2CN3CCC2CC3)c2ccccc2)cc1 |TLB:10:11:14.15:17.18,(18.31,-36.25,;16.97,-35.49,;15.64,-36.26,;14.31,-35.49,;14.31,-33.95,;12.98,-33.18,;11.65,-33.95,;10.31,-33.18,;8.98,-33.95,;8.98,-35.49,;7.65,-33.18,;6.31,-33.95,;5.96,-35.38,;4.48,-34.87,;4.47,-32.84,;5.07,-31.58,;5.1,-33.5,;3.39,-33.95,;2.99,-35.39,;10.31,-31.64,;8.98,-30.87,;8.98,-29.32,;10.31,-28.55,;11.65,-29.32,;11.65,-30.87,;15.64,-33.17,;16.97,-33.94,)| Show InChI InChI=1S/C22H25FN2O2/c23-19-8-6-17(7-9-19)10-15-25(20-4-2-1-3-5-20)22(26)27-21-16-24-13-11-18(21)12-14-24/h1-9,18,21H,10-16H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human M1 AChR expressed in CHO cell membranes after 1 to 2 hrs by liquid scintillation spectrometry method				Bioorg Med Chem Lett 29: 471-476 (2019) Article DOI: 10.1016/j.bmcl.2018.12.022 BindingDB Entry DOI: 10.7270/Q2NP27SC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50518557 (CHEMBL4519301) Show SMILES Fc1ccc(CCN(C(=O)OC2CN3CCC2CC3)c2ccccc2)cc1 |TLB:10:11:14.15:17.18,(18.31,-36.25,;16.97,-35.49,;15.64,-36.26,;14.31,-35.49,;14.31,-33.95,;12.98,-33.18,;11.65,-33.95,;10.31,-33.18,;8.98,-33.95,;8.98,-35.49,;7.65,-33.18,;6.31,-33.95,;5.96,-35.38,;4.48,-34.87,;4.47,-32.84,;5.07,-31.58,;5.1,-33.5,;3.39,-33.95,;2.99,-35.39,;10.31,-31.64,;8.98,-30.87,;8.98,-29.32,;10.31,-28.55,;11.65,-29.32,;11.65,-30.87,;15.64,-33.17,;16.97,-33.94,)| Show InChI InChI=1S/C22H25FN2O2/c23-19-8-6-17(7-9-19)10-15-25(20-4-2-1-3-5-20)22(26)27-21-16-24-13-11-18(21)12-14-24/h1-9,18,21H,10-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human M4 AChR expressed in CHO cell membranes after 1 to 2 hrs by liquid scintillation spectrometry method				Bioorg Med Chem Lett 29: 471-476 (2019) Article DOI: 10.1016/j.bmcl.2018.12.022 BindingDB Entry DOI: 10.7270/Q2NP27SC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50518557 (CHEMBL4519301) Show SMILES Fc1ccc(CCN(C(=O)OC2CN3CCC2CC3)c2ccccc2)cc1 |TLB:10:11:14.15:17.18,(18.31,-36.25,;16.97,-35.49,;15.64,-36.26,;14.31,-35.49,;14.31,-33.95,;12.98,-33.18,;11.65,-33.95,;10.31,-33.18,;8.98,-33.95,;8.98,-35.49,;7.65,-33.18,;6.31,-33.95,;5.96,-35.38,;4.48,-34.87,;4.47,-32.84,;5.07,-31.58,;5.1,-33.5,;3.39,-33.95,;2.99,-35.39,;10.31,-31.64,;8.98,-30.87,;8.98,-29.32,;10.31,-28.55,;11.65,-29.32,;11.65,-30.87,;15.64,-33.17,;16.97,-33.94,)| Show InChI InChI=1S/C22H25FN2O2/c23-19-8-6-17(7-9-19)10-15-25(20-4-2-1-3-5-20)22(26)27-21-16-24-13-11-18(21)12-14-24/h1-9,18,21H,10-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human M3 AChR expressed in CHO cell membranes after 1 to 2 hrs by liquid scintillation spectrometry method				Bioorg Med Chem Lett 29: 471-476 (2019) Article DOI: 10.1016/j.bmcl.2018.12.022 BindingDB Entry DOI: 10.7270/Q2NP27SC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50518557 (CHEMBL4519301) Show SMILES Fc1ccc(CCN(C(=O)OC2CN3CCC2CC3)c2ccccc2)cc1 |TLB:10:11:14.15:17.18,(18.31,-36.25,;16.97,-35.49,;15.64,-36.26,;14.31,-35.49,;14.31,-33.95,;12.98,-33.18,;11.65,-33.95,;10.31,-33.18,;8.98,-33.95,;8.98,-35.49,;7.65,-33.18,;6.31,-33.95,;5.96,-35.38,;4.48,-34.87,;4.47,-32.84,;5.07,-31.58,;5.1,-33.5,;3.39,-33.95,;2.99,-35.39,;10.31,-31.64,;8.98,-30.87,;8.98,-29.32,;10.31,-28.55,;11.65,-29.32,;11.65,-30.87,;15.64,-33.17,;16.97,-33.94,)| Show InChI InChI=1S/C22H25FN2O2/c23-19-8-6-17(7-9-19)10-15-25(20-4-2-1-3-5-20)22(26)27-21-16-24-13-11-18(21)12-14-24/h1-9,18,21H,10-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human M2 AChR expressed in CHO cell membranes after 1 to 2 hrs by liquid scintillation spectrometry method				Bioorg Med Chem Lett 29: 471-476 (2019) Article DOI: 10.1016/j.bmcl.2018.12.022 BindingDB Entry DOI: 10.7270/Q2NP27SC
					More data for this Ligand-Target Pair