BDBM50201293 3-((4-isopropylphenethylamino)methyl)-N,N-dimethyl-3,4-dihydro-2H-benzo[b][1,4]dioxepin-3-amine::CHEMBL233198

SMILES: CC(C)c1ccc(CCNCC2(COc3ccccc3OC2)N(C)C)cc1

InChI Key: InChIKey=LAYPCPWQLOVMFU-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 = 50201293   

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 M2 (Homo sapiens (Human))	BDBM50201293 (3-((4-isopropylphenethylamino)methyl)-N,N-dimethyl...) Show SMILES CC(C)c1ccc(CCNCC2(COc3ccccc3OC2)N(C)C)cc1 Show InChI InChI=1S/C23H32N2O2/c1-18(2)20-11-9-19(10-12-20)13-14-24-15-23(25(3)4)16-26-21-7-5-6-8-22(21)27-17-23/h5-12,18,24H,13-17H2,1-4H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44	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 M3 (Homo sapiens (Human))	BDBM50201293 (3-((4-isopropylphenethylamino)methyl)-N,N-dimethyl...) Show SMILES CC(C)c1ccc(CCNCC2(COc3ccccc3OC2)N(C)C)cc1 Show InChI InChI=1S/C23H32N2O2/c1-18(2)20-11-9-19(10-12-20)13-14-24-15-23(25(3)4)16-26-21-7-5-6-8-22(21)27-17-23/h5-12,18,24H,13-17H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56	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 M1 (Homo sapiens (Human))	BDBM50201293 (3-((4-isopropylphenethylamino)methyl)-N,N-dimethyl...) Show SMILES CC(C)c1ccc(CCNCC2(COc3ccccc3OC2)N(C)C)cc1 Show InChI InChI=1S/C23H32N2O2/c1-18(2)20-11-9-19(10-12-20)13-14-24-15-23(25(3)4)16-26-21-7-5-6-8-22(21)27-17-23/h5-12,18,24H,13-17H2,1-4H3	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	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