BDBM50201286 CHEMBL233201::N,N-dimethyl-3-((2-(tetrahydro-2H-thiopyran-4-yl)ethylamino)methyl)-3,4-dihydro-2H-benzo[b][1,4]dioxepin-3-amine

SMILES: CN(C)C1(CNCCC2CCSCC2)COc2ccccc2OC1

InChI Key: InChIKey=MMHVHROUFYSFCY-UHFFFAOYSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50201286   

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 M3 (Homo sapiens (Human))	BDBM50201286 (CHEMBL233201 | N,N-dimethyl-3-((2-(tetrahydro-2H-t...) Show SMILES CN(C)C1(CNCCC2CCSCC2)COc2ccccc2OC1 Show InChI InChI=1S/C19H30N2O2S/c1-21(2)19(13-20-10-7-16-8-11-24-12-9-16)14-22-17-5-3-4-6-18(17)23-15-19/h3-6,16,20H,7-15H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Displacement of 1-[N-methyl- 3H]scopolamine from human muscarinic M3 receptor expressed in Sf9 cells				Bioorg Med Chem Lett 17: 925-31 (2007) Article DOI: 10.1016/j.bmcl.2006.11.058 BindingDB Entry DOI: 10.7270/Q2DB81HZ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50201286 (CHEMBL233201 | N,N-dimethyl-3-((2-(tetrahydro-2H-t...) Show SMILES CN(C)C1(CNCCC2CCSCC2)COc2ccccc2OC1 Show InChI InChI=1S/C19H30N2O2S/c1-21(2)19(13-20-10-7-16-8-11-24-12-9-16)14-22-17-5-3-4-6-18(17)23-15-19/h3-6,16,20H,7-15H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Displacement of 1-[N-methyl- 3H]scopolamine from human muscarinic M2 receptor expressed in Sf9 cells				Bioorg Med Chem Lett 17: 925-31 (2007) Article DOI: 10.1016/j.bmcl.2006.11.058 BindingDB Entry DOI: 10.7270/Q2DB81HZ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50201286 (CHEMBL233201 | N,N-dimethyl-3-((2-(tetrahydro-2H-t...) Show SMILES CN(C)C1(CNCCC2CCSCC2)COc2ccccc2OC1 Show InChI InChI=1S/C19H30N2O2S/c1-21(2)19(13-20-10-7-16-8-11-24-12-9-16)14-22-17-5-3-4-6-18(17)23-15-19/h3-6,16,20H,7-15H2,1-2H3	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Displacement of 1-[N-methyl- 3H]scopolamine from human muscarinic M1 receptor expressed in Sf9 cells				Bioorg Med Chem Lett 17: 925-31 (2007) Article DOI: 10.1016/j.bmcl.2006.11.058 BindingDB Entry DOI: 10.7270/Q2DB81HZ
					More data for this Ligand-Target Pair