BindingDB logo
myBDB logout

null

SMILES: CCN(CC)CCOC(=O)c1ccccc1Sc1ccc(Cl)cc1

InChI Key: InChIKey=UNOFGQWDNLJPIO-UHFFFAOYSA-N

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 4 hits for monomerid = 50491125   
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))
BDBM50491125
PNG
(CHEMBL2377262)
Show SMILES CCN(CC)CCOC(=O)c1ccccc1Sc1ccc(Cl)cc1
Show InChI InChI=1S/C19H22ClNO2S/c1-3-21(4-2)13-14-23-19(22)17-7-5-6-8-18(17)24-16-11-9-15(20)10-12-16/h5-12H,3-4,13-14H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
109n/an/an/an/an/an/an/an/a



Walter Reed Army Institute of Research

Curated by ChEMBL


Assay Description
Displacement of [3H] N-methylscopolamine from human muscarinic M3 receptor expressed in CHOK1 cells after 30 mins by scintillation counting analysis


Bioorg Med Chem 21: 2651-62 (2013)


Article DOI: 10.1016/j.bmc.2013.01.072
BindingDB Entry DOI: 10.7270/Q2X92F6X
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50491125
PNG
(CHEMBL2377262)
Show SMILES CCN(CC)CCOC(=O)c1ccccc1Sc1ccc(Cl)cc1
Show InChI InChI=1S/C19H22ClNO2S/c1-3-21(4-2)13-14-23-19(22)17-7-5-6-8-18(17)24-16-11-9-15(20)10-12-16/h5-12H,3-4,13-14H2,1-2H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
519n/an/an/an/an/an/an/an/a



Walter Reed Army Institute of Research

Curated by ChEMBL


Assay Description
Displacement of [3H] N-methylscopolamine from human muscarinic M1 receptor expressed in CHOK1 cells after 30 mins by scintillation counting analysis


Bioorg Med Chem 21: 2651-62 (2013)


Article DOI: 10.1016/j.bmc.2013.01.072
BindingDB Entry DOI: 10.7270/Q2X92F6X
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50491125
PNG
(CHEMBL2377262)
Show SMILES CCN(CC)CCOC(=O)c1ccccc1Sc1ccc(Cl)cc1
Show InChI InChI=1S/C19H22ClNO2S/c1-3-21(4-2)13-14-23-19(22)17-7-5-6-8-18(17)24-16-11-9-15(20)10-12-16/h5-12H,3-4,13-14H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.34E+3n/an/an/an/an/an/an/an/a



Walter Reed Army Institute of Research

Curated by ChEMBL


Assay Description
Displacement of [3H] N-methylscopolamine from human muscarinic M2 receptor expressed in CHOK1 cells after 30 mins by scintillation counting analysis


Bioorg Med Chem 21: 2651-62 (2013)


Article DOI: 10.1016/j.bmc.2013.01.072
BindingDB Entry DOI: 10.7270/Q2X92F6X
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50491125
PNG
(CHEMBL2377262)
Show SMILES CCN(CC)CCOC(=O)c1ccccc1Sc1ccc(Cl)cc1
Show InChI InChI=1S/C19H22ClNO2S/c1-3-21(4-2)13-14-23-19(22)17-7-5-6-8-18(17)24-16-11-9-15(20)10-12-16/h5-12H,3-4,13-14H2,1-2H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.67E+3n/an/an/an/an/an/an/an/a



Walter Reed Army Institute of Research

Curated by ChEMBL


Assay Description
Displacement of [3H] N-methylscopolamine from human muscarinic M1 receptor after 30 mins by scintillation counting analysis


Bioorg Med Chem 21: 2651-62 (2013)


Article DOI: 10.1016/j.bmc.2013.01.072
BindingDB Entry DOI: 10.7270/Q2X92F6X
More data for this
Ligand-Target Pair