Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 499.4 BDBM50119645

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

Found 3 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 M1 (Homo sapiens (Human))	BDBM50119645 (CHEMBL3616500) Show SMILES CN(Cc1ccc(F)cc1)C(\C)=N\c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(cc3)C(F)(F)F)c2c1 |r| Show InChI InChI=1S/C27H25F4N3O2/c1-16(34(2)15-17-3-10-21(28)11-4-17)32-22-12-7-19-13-24(35)25(23(19)14-22)33-26(36)18-5-8-20(9-6-18)27(29,30)31/h3-12,14,24-25,35H,13,15H2,1-2H3,(H,33,36)/b32-16+/t24-,25-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	36	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human muscarinic M1 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay				Bioorg Med Chem Lett 25: 4158-63 (2015) Article DOI: 10.1016/j.bmcl.2015.08.011 BindingDB Entry DOI: 10.7270/Q2GM8938
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50119645 (CHEMBL3616500) Show SMILES CN(Cc1ccc(F)cc1)C(\C)=N\c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(cc3)C(F)(F)F)c2c1 |r| Show InChI InChI=1S/C27H25F4N3O2/c1-16(34(2)15-17-3-10-21(28)11-4-17)32-22-12-7-19-13-24(35)25(23(19)14-22)33-26(36)18-5-8-20(9-6-18)27(29,30)31/h3-12,14,24-25,35H,13,15H2,1-2H3,(H,33,36)/b32-16+/t24-,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	393	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human muscarinic M4 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay				Bioorg Med Chem Lett 25: 4158-63 (2015) Article DOI: 10.1016/j.bmcl.2015.08.011 BindingDB Entry DOI: 10.7270/Q2GM8938
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50119645 (CHEMBL3616500) Show SMILES CN(Cc1ccc(F)cc1)C(\C)=N\c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(cc3)C(F)(F)F)c2c1 |r| Show InChI InChI=1S/C27H25F4N3O2/c1-16(34(2)15-17-3-10-21(28)11-4-17)32-22-12-7-19-13-24(35)25(23(19)14-22)33-26(36)18-5-8-20(9-6-18)27(29,30)31/h3-12,14,24-25,35H,13,15H2,1-2H3,(H,33,36)/b32-16+/t24-,25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	172	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human muscarinic M2 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay				Bioorg Med Chem Lett 25: 4158-63 (2015) Article DOI: 10.1016/j.bmcl.2015.08.011 BindingDB Entry DOI: 10.7270/Q2GM8938
					More data for this Ligand-Target Pair