Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 336.5 BDBM50412174

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

Found 5 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))	BDBM50412174 (CHEMBL557808) Show SMILES C[N+](C)(C)C[C@@H]1CS(=O)[C@](O1)(C1CCCCC1)c1ccccc1 |r| Show InChI InChI=1S/C19H30NO2S/c1-20(2,3)14-18-15-23(21)19(22-18,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4,6-7,10-11,17-18H,5,8-9,12-15H2,1-3H3/q+1/t18-,19+,23?/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO cells				Bioorg Med Chem 16: 5490-500 (2008) Article DOI: 10.1016/j.bmc.2008.04.013 BindingDB Entry DOI: 10.7270/Q21N82BT
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50412174 (CHEMBL557808) Show SMILES C[N+](C)(C)C[C@@H]1CS(=O)[C@](O1)(C1CCCCC1)c1ccccc1 |r| Show InChI InChI=1S/C19H30NO2S/c1-20(2,3)14-18-15-23(21)19(22-18,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4,6-7,10-11,17-18H,5,8-9,12-15H2,1-3H3/q+1/t18-,19+,23?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M3 receptor expressed in CHO cells				Bioorg Med Chem 16: 5490-500 (2008) Article DOI: 10.1016/j.bmc.2008.04.013 BindingDB Entry DOI: 10.7270/Q21N82BT
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50412174 (CHEMBL557808) Show SMILES C[N+](C)(C)C[C@@H]1CS(=O)[C@](O1)(C1CCCCC1)c1ccccc1 |r| Show InChI InChI=1S/C19H30NO2S/c1-20(2,3)14-18-15-23(21)19(22-18,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4,6-7,10-11,17-18H,5,8-9,12-15H2,1-3H3/q+1/t18-,19+,23?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	74.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M2 receptor expressed in CHO cells				Bioorg Med Chem 16: 5490-500 (2008) Article DOI: 10.1016/j.bmc.2008.04.013 BindingDB Entry DOI: 10.7270/Q21N82BT
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50412174 (CHEMBL557808) Show SMILES C[N+](C)(C)C[C@@H]1CS(=O)[C@](O1)(C1CCCCC1)c1ccccc1 |r| Show InChI InChI=1S/C19H30NO2S/c1-20(2,3)14-18-15-23(21)19(22-18,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4,6-7,10-11,17-18H,5,8-9,12-15H2,1-3H3/q+1/t18-,19+,23?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	95.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M4 receptor expressed in CHO cells				Bioorg Med Chem 16: 5490-500 (2008) Article DOI: 10.1016/j.bmc.2008.04.013 BindingDB Entry DOI: 10.7270/Q21N82BT
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM50412174 (CHEMBL557808) Show SMILES C[N+](C)(C)C[C@@H]1CS(=O)[C@](O1)(C1CCCCC1)c1ccccc1 |r| Show InChI InChI=1S/C19H30NO2S/c1-20(2,3)14-18-15-23(21)19(22-18,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4,6-7,10-11,17-18H,5,8-9,12-15H2,1-3H3/q+1/t18-,19+,23?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	141	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M5 receptor expressed in CHO cells				Bioorg Med Chem 16: 5490-500 (2008) Article DOI: 10.1016/j.bmc.2008.04.013 BindingDB Entry DOI: 10.7270/Q21N82BT
					More data for this Ligand-Target Pair