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BDBM50201279 3-((4-chlorophenethylamino)methyl)-N,N-dimethyl-3,4-dihydro-2H-benzo[b][1,4]dioxepin-3-amine::CHEMBL234254

SMILES: CN(C)C1(CNCCc2ccc(Cl)cc2)COc2ccccc2OC1

InChI Key: InChIKey=SJUDKHLUHJDELT-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 = 50201279   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50201279
PNG
(3-((4-chlorophenethylamino)methyl)-N,N-dimethyl-3,...)
Show SMILES CN(C)C1(CNCCc2ccc(Cl)cc2)COc2ccccc2OC1
Show InChI InChI=1S/C20H25ClN2O2/c1-23(2)20(13-22-12-11-16-7-9-17(21)10-8-16)14-24-18-5-3-4-6-19(18)25-15-20/h3-10,22H,11-15H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
20n/an/an/an/an/an/an/an/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))
BDBM50201279
PNG
(3-((4-chlorophenethylamino)methyl)-N,N-dimethyl-3,...)
Show SMILES CN(C)C1(CNCCc2ccc(Cl)cc2)COc2ccccc2OC1
Show InChI InChI=1S/C20H25ClN2O2/c1-23(2)20(13-22-12-11-16-7-9-17(21)10-8-16)14-24-18-5-3-4-6-19(18)25-15-20/h3-10,22H,11-15H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
49n/an/an/an/an/an/an/an/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))
BDBM50201279
PNG
(3-((4-chlorophenethylamino)methyl)-N,N-dimethyl-3,...)
Show SMILES CN(C)C1(CNCCc2ccc(Cl)cc2)COc2ccccc2OC1
Show InChI InChI=1S/C20H25ClN2O2/c1-23(2)20(13-22-12-11-16-7-9-17(21)10-8-16)14-24-18-5-3-4-6-19(18)25-15-20/h3-10,22H,11-15H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
260n/an/an/an/an/an/an/an/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