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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 325.4
BDBM50073471

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 5 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50073471
PNG
(1-Ethyl-5-(3-pentyl-[1,2,4]oxadiazol-5-yl)-4-pheny...)
Show SMILES CCCCCc1noc(n1)C1=C(CCN(CC)C1)c1ccccc1 |t:11|
Show InChI InChI=1S/C20H27N3O/c1-3-5-7-12-19-21-20(24-22-19)18-15-23(4-2)14-13-17(18)16-10-8-6-9-11-16/h6,8-11H,3-5,7,12-15H2,1-2H3
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n/an/a 1.09E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS binding to human Muscarinic acetylcholine receptor M1 using membranes from transfected CHO cells


J Med Chem 42: 356-63 (1999)


Article DOI: 10.1021/jm980067l
BindingDB Entry DOI: 10.7270/Q2KS6S7R
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50073471
PNG
(1-Ethyl-5-(3-pentyl-[1,2,4]oxadiazol-5-yl)-4-pheny...)
Show SMILES CCCCCc1noc(n1)C1=C(CCN(CC)C1)c1ccccc1 |t:11|
Show InChI InChI=1S/C20H27N3O/c1-3-5-7-12-19-21-20(24-22-19)18-15-23(4-2)14-13-17(18)16-10-8-6-9-11-16/h6,8-11H,3-5,7,12-15H2,1-2H3
PDB

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n/an/a 1.22E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS binding to human Muscarinic acetylcholine receptor M2 using membranes from transfected CHO cells


J Med Chem 42: 356-63 (1999)


Article DOI: 10.1021/jm980067l
BindingDB Entry DOI: 10.7270/Q2KS6S7R
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50073471
PNG
(1-Ethyl-5-(3-pentyl-[1,2,4]oxadiazol-5-yl)-4-pheny...)
Show SMILES CCCCCc1noc(n1)C1=C(CCN(CC)C1)c1ccccc1 |t:11|
Show InChI InChI=1S/C20H27N3O/c1-3-5-7-12-19-21-20(24-22-19)18-15-23(4-2)14-13-17(18)16-10-8-6-9-11-16/h6,8-11H,3-5,7,12-15H2,1-2H3
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n/an/a 1.47E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS binding to human Muscarinic acetylcholine receptor M5 using membranes from transfected CHO cells


J Med Chem 42: 356-63 (1999)


Article DOI: 10.1021/jm980067l
BindingDB Entry DOI: 10.7270/Q2KS6S7R
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50073471
PNG
(1-Ethyl-5-(3-pentyl-[1,2,4]oxadiazol-5-yl)-4-pheny...)
Show SMILES CCCCCc1noc(n1)C1=C(CCN(CC)C1)c1ccccc1 |t:11|
Show InChI InChI=1S/C20H27N3O/c1-3-5-7-12-19-21-20(24-22-19)18-15-23(4-2)14-13-17(18)16-10-8-6-9-11-16/h6,8-11H,3-5,7,12-15H2,1-2H3
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n/an/a 1.93E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS binding to human Muscarinic acetylcholine receptor M3 using membranes from transfected CHO cells


J Med Chem 42: 356-63 (1999)


Article DOI: 10.1021/jm980067l
BindingDB Entry DOI: 10.7270/Q2KS6S7R
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50073471
PNG
(1-Ethyl-5-(3-pentyl-[1,2,4]oxadiazol-5-yl)-4-pheny...)
Show SMILES CCCCCc1noc(n1)C1=C(CCN(CC)C1)c1ccccc1 |t:11|
Show InChI InChI=1S/C20H27N3O/c1-3-5-7-12-19-21-20(24-22-19)18-15-23(4-2)14-13-17(18)16-10-8-6-9-11-16/h6,8-11H,3-5,7,12-15H2,1-2H3
PDB

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n/an/a 8.39E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS binding to human Muscarinic acetylcholine receptor M4 using membranes from transfected CHO cells


J Med Chem 42: 356-63 (1999)


Article DOI: 10.1021/jm980067l
BindingDB Entry DOI: 10.7270/Q2KS6S7R
More data for this
Ligand-Target Pair