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SMILES: CCN1CCN(CC1)c1ccc(NC(=O)COc2ccccc2)cc1Cl

InChI Key: InChIKey=SNYLXINFZFDVHF-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 5 hits for monomerid = 50373832   
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 M4


(RAT)
BDBM50373832
PNG
(CHEMBL429780)
Show SMILES CCN1CCN(CC1)c1ccc(NC(=O)COc2ccccc2)cc1Cl
Show InChI InChI=1S/C20H24ClN3O2/c1-2-23-10-12-24(13-11-23)19-9-8-16(14-18(19)21)22-20(25)15-26-17-6-4-3-5-7-17/h3-9,14H,2,10-13,15H2,1H3,(H,22,25)
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PC sid
UniChem
Article
PubMed
n/an/a>1.50E+5n/an/an/an/an/an/a



Vanderbilt Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Antagonist activity at rat muscarinic M4 receptor expressed in CHO cells by calcium mobilization assay


Bioorg Med Chem Lett 18: 885-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.051
BindingDB Entry DOI: 10.7270/Q2DZ095Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50373832
PNG
(CHEMBL429780)
Show SMILES CCN1CCN(CC1)c1ccc(NC(=O)COc2ccccc2)cc1Cl
Show InChI InChI=1S/C20H24ClN3O2/c1-2-23-10-12-24(13-11-23)19-9-8-16(14-18(19)21)22-20(25)15-26-17-6-4-3-5-7-17/h3-9,14H,2,10-13,15H2,1H3,(H,22,25)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Vanderbilt Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Antagonist activity at rat muscarinic M1 receptor expressed in CHO cells by calcium mobilization assay


Bioorg Med Chem Lett 18: 885-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.051
BindingDB Entry DOI: 10.7270/Q2DZ095Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(RAT)
BDBM50373832
PNG
(CHEMBL429780)
Show SMILES CCN1CCN(CC1)c1ccc(NC(=O)COc2ccccc2)cc1Cl
Show InChI InChI=1S/C20H24ClN3O2/c1-2-23-10-12-24(13-11-23)19-9-8-16(14-18(19)21)22-20(25)15-26-17-6-4-3-5-7-17/h3-9,14H,2,10-13,15H2,1H3,(H,22,25)
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n/an/a>1.50E+5n/an/an/an/an/an/a



Vanderbilt Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Antagonist activity at rat muscarinic M5 receptor expressed in CHO cells by calcium mobilization assay


Bioorg Med Chem Lett 18: 885-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.051
BindingDB Entry DOI: 10.7270/Q2DZ095Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50373832
PNG
(CHEMBL429780)
Show SMILES CCN1CCN(CC1)c1ccc(NC(=O)COc2ccccc2)cc1Cl
Show InChI InChI=1S/C20H24ClN3O2/c1-2-23-10-12-24(13-11-23)19-9-8-16(14-18(19)21)22-20(25)15-26-17-6-4-3-5-7-17/h3-9,14H,2,10-13,15H2,1H3,(H,22,25)
PDB

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PubMed
n/an/a>1.50E+5n/an/an/an/an/an/a



Vanderbilt Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Antagonist activity at rat muscarinic M3 receptor expressed in CHO cells by calcium mobilization assay


Bioorg Med Chem Lett 18: 885-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.051
BindingDB Entry DOI: 10.7270/Q2DZ095Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50373832
PNG
(CHEMBL429780)
Show SMILES CCN1CCN(CC1)c1ccc(NC(=O)COc2ccccc2)cc1Cl
Show InChI InChI=1S/C20H24ClN3O2/c1-2-23-10-12-24(13-11-23)19-9-8-16(14-18(19)21)22-20(25)15-26-17-6-4-3-5-7-17/h3-9,14H,2,10-13,15H2,1H3,(H,22,25)
PDB

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B.MOAD
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CHEMBL
PC cid
PC sid
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Article
PubMed
n/an/a>1.50E+5n/an/an/an/an/an/a



Vanderbilt Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Antagonist activity at rat muscarinic M2 receptor expressed in CHO cells by calcium mobilization assay


Bioorg Med Chem Lett 18: 885-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.051
BindingDB Entry DOI: 10.7270/Q2DZ095Z
More data for this
Ligand-Target Pair