Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 362.8 BDBM50538206

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 6 hits in this display   

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 (Homo sapiens (Human))	BDBM50538206 (CHEMBL4640703) Show SMILES Fc1ccc(NC(=O)OCC2CCNCC2)c(c1)-c1cccc(Cl)c1 Show InChI InChI=1S/C19H20ClFN2O2/c20-15-3-1-2-14(10-15)17-11-16(21)4-5-18(17)23-19(24)25-12-13-6-8-22-9-7-13/h1-5,10-11,13,22H,6-9,12H2,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander-Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from human muscarinic M3 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scint...				J Med Chem 63: 4349-4369 (2020) Article DOI: 10.1021/acs.jmedchem.0c00297 BindingDB Entry DOI: 10.7270/Q2CR5XWB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50538206 (CHEMBL4640703) Show SMILES Fc1ccc(NC(=O)OCC2CCNCC2)c(c1)-c1cccc(Cl)c1 Show InChI InChI=1S/C19H20ClFN2O2/c20-15-3-1-2-14(10-15)17-11-16(21)4-5-18(17)23-19(24)25-12-13-6-8-22-9-7-13/h1-5,10-11,13,22H,6-9,12H2,(H,23,24)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander-Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from human muscarinic M1 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scint...				J Med Chem 63: 4349-4369 (2020) Article DOI: 10.1021/acs.jmedchem.0c00297 BindingDB Entry DOI: 10.7270/Q2CR5XWB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50538206 (CHEMBL4640703) Show SMILES Fc1ccc(NC(=O)OCC2CCNCC2)c(c1)-c1cccc(Cl)c1 Show InChI InChI=1S/C19H20ClFN2O2/c20-15-3-1-2-14(10-15)17-11-16(21)4-5-18(17)23-19(24)25-12-13-6-8-22-9-7-13/h1-5,10-11,13,22H,6-9,12H2,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander-Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from human muscarinic M2 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scint...				J Med Chem 63: 4349-4369 (2020) Article DOI: 10.1021/acs.jmedchem.0c00297 BindingDB Entry DOI: 10.7270/Q2CR5XWB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50538206 (CHEMBL4640703) Show SMILES Fc1ccc(NC(=O)OCC2CCNCC2)c(c1)-c1cccc(Cl)c1 Show InChI InChI=1S/C19H20ClFN2O2/c20-15-3-1-2-14(10-15)17-11-16(21)4-5-18(17)23-19(24)25-12-13-6-8-22-9-7-13/h1-5,10-11,13,22H,6-9,12H2,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	26	n/a	n/a	n/a	n/a
Friedrich-Alexander-Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Antagonist activity at muscarinic M3 receptor (unknown origin) expressed in HEK293 cells coexpressing EA tagged beta-arrestin2 assessed as inhibition...				J Med Chem 63: 4349-4369 (2020) Article DOI: 10.1021/acs.jmedchem.0c00297 BindingDB Entry DOI: 10.7270/Q2CR5XWB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50538206 (CHEMBL4640703) Show SMILES Fc1ccc(NC(=O)OCC2CCNCC2)c(c1)-c1cccc(Cl)c1 Show InChI InChI=1S/C19H20ClFN2O2/c20-15-3-1-2-14(10-15)17-11-16(21)4-5-18(17)23-19(24)25-12-13-6-8-22-9-7-13/h1-5,10-11,13,22H,6-9,12H2,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	6.90	n/a	n/a	n/a	n/a
Friedrich-Alexander-Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Agonist activity at human muscarinic M3 receptor expressed in HEK293 cells assessed as increase in IP1 accumulation incubated for 90 min by TR-HTRF a...				J Med Chem 63: 4349-4369 (2020) Article DOI: 10.1021/acs.jmedchem.0c00297 BindingDB Entry DOI: 10.7270/Q2CR5XWB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50538206 (CHEMBL4640703) Show SMILES Fc1ccc(NC(=O)OCC2CCNCC2)c(c1)-c1cccc(Cl)c1 Show InChI InChI=1S/C19H20ClFN2O2/c20-15-3-1-2-14(10-15)17-11-16(21)4-5-18(17)23-19(24)25-12-13-6-8-22-9-7-13/h1-5,10-11,13,22H,6-9,12H2,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a
Friedrich-Alexander-Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Antagonist activity at human muscarinic M3 receptor expressed in HEK293 assessed as inhibition of carbachol-induced IP1 accumulation preincubated for...				J Med Chem 63: 4349-4369 (2020) Article DOI: 10.1021/acs.jmedchem.0c00297 BindingDB Entry DOI: 10.7270/Q2CR5XWB
					More data for this Ligand-Target Pair