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BDBM50356973 CHEMBL1916235

SMILES: CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)C1CCCC1

InChI Key: InChIKey=NTSQDFWSCSUPSQ-MRXNPFEDSA-N

Data: 5 EC50

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 = 50356973   
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 M2


(RAT)
BDBM50356973
PNG
(CHEMBL1916235)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)C1CCCC1 |r|
Show InChI InChI=1S/C19H33N3O3/c1-2-25-19(24)21-12-9-17(10-13-21)22-11-5-8-16(14-22)20-18(23)15-6-3-4-7-15/h15-17H,2-14H2,1H3,(H,20,23)/t16-/m1/s1
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Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M2 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50356973
PNG
(CHEMBL1916235)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)C1CCCC1 |r|
Show InChI InChI=1S/C19H33N3O3/c1-2-25-19(24)21-12-9-17(10-13-21)22-11-5-8-16(14-22)20-18(23)15-6-3-4-7-15/h15-17H,2-14H2,1H3,(H,20,23)/t16-/m1/s1
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PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50356973
PNG
(CHEMBL1916235)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)C1CCCC1 |r|
Show InChI InChI=1S/C19H33N3O3/c1-2-25-19(24)21-12-9-17(10-13-21)22-11-5-8-16(14-22)20-18(23)15-6-3-4-7-15/h15-17H,2-14H2,1H3,(H,20,23)/t16-/m1/s1
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n/an/an/an/a 5.00E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M1 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(RAT)
BDBM50356973
PNG
(CHEMBL1916235)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)C1CCCC1 |r|
Show InChI InChI=1S/C19H33N3O3/c1-2-25-19(24)21-12-9-17(10-13-21)22-11-5-8-16(14-22)20-18(23)15-6-3-4-7-15/h15-17H,2-14H2,1H3,(H,20,23)/t16-/m1/s1
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Article
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M5 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50356973
PNG
(CHEMBL1916235)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)C1CCCC1 |r|
Show InChI InChI=1S/C19H33N3O3/c1-2-25-19(24)21-12-9-17(10-13-21)22-11-5-8-16(14-22)20-18(23)15-6-3-4-7-15/h15-17H,2-14H2,1H3,(H,20,23)/t16-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M4 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair