BindingDB logo
myBDB logout

BDBM50201276 3-((2-(3,6-dihydro-2H-thiopyran-4-yl)ethylamino)methyl)-N,N-dimethyl-3,4-dihydro-2H-benzo[b][1,4]dioxepin-3-amine::CHEMBL233202

SMILES: CN(C)C1(CNCCC2=CCSCC2)COc2ccccc2OC1

InChI Key: InChIKey=YTSWRFHHGNPXRN-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 = 50201276   
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))
BDBM50201276
PNG
(3-((2-(3,6-dihydro-2H-thiopyran-4-yl)ethylamino)me...)
Show SMILES CN(C)C1(CNCCC2=CCSCC2)COc2ccccc2OC1
Show InChI InChI=1S/C19H28N2O2S/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/h3-6,8,20H,7,9-15H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.80n/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))
BDBM50201276
PNG
(3-((2-(3,6-dihydro-2H-thiopyran-4-yl)ethylamino)me...)
Show SMILES CN(C)C1(CNCCC2=CCSCC2)COc2ccccc2OC1
Show InChI InChI=1S/C19H28N2O2S/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/h3-6,8,20H,7,9-15H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
12n/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))
BDBM50201276
PNG
(3-((2-(3,6-dihydro-2H-thiopyran-4-yl)ethylamino)me...)
Show SMILES CN(C)C1(CNCCC2=CCSCC2)COc2ccccc2OC1
Show InChI InChI=1S/C19H28N2O2S/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/h3-6,8,20H,7,9-15H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
140n/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