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Compile Data Set for Download or QSAR

Found 75 hits with Last Name = 'falcicchio' and Initial = 'a'   
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))
BDBM50385677
PNG
(CHEMBL2042553)
Show SMILES CN(C)C[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C19H23NO2/c1-20(2)13-18-14-21-15-19(22-18,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3/t18-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from recombinant human muscarinic M1 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting meth...


Eur J Med Chem 137: 327-337 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.004
BindingDB Entry DOI: 10.7270/Q2VT1VMF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50385677
PNG
(CHEMBL2042553)
Show SMILES CN(C)C[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C19H23NO2/c1-20(2)13-18-14-21-15-19(22-18,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3/t18-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from recombinant human muscarinic M3 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting meth...


Eur J Med Chem 137: 327-337 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.004
BindingDB Entry DOI: 10.7270/Q2VT1VMF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50385677
PNG
(CHEMBL2042553)
Show SMILES CN(C)C[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C19H23NO2/c1-20(2)13-18-14-21-15-19(22-18,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3/t18-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from recombinant human muscarinic M5 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting meth...


Eur J Med Chem 137: 327-337 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.004
BindingDB Entry DOI: 10.7270/Q2VT1VMF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50385677
PNG
(CHEMBL2042553)
Show SMILES CN(C)C[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C19H23NO2/c1-20(2)13-18-14-21-15-19(22-18,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3/t18-/m0/s1
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2.30n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from recombinant human muscarinic M4 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting meth...


Eur J Med Chem 137: 327-337 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.004
BindingDB Entry DOI: 10.7270/Q2VT1VMF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50270731
PNG
(CHEMBL4128341)
Show SMILES C(O[C@@H]1CN2CCC1CC2)[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r,wU:2.1,wD:10.11,(59.71,-34.29,;61.05,-33.54,;62.38,-34.31,;62.36,-35.85,;63.69,-36.62,;65.02,-35.86,;65.03,-34.32,;63.7,-33.54,;62.98,-34.91,;64.25,-35.52,;58.38,-33.53,;58.37,-31.99,;57.05,-31.22,;55.72,-31.99,;55.69,-33.52,;57.05,-34.29,;54.36,-32.75,;54.36,-31.21,;53.03,-30.44,;51.69,-31.21,;51.7,-32.76,;53.04,-33.52,;54.92,-34.86,;53.38,-34.85,;52.61,-36.18,;53.39,-37.52,;54.94,-37.51,;55.7,-36.18,)|
Show InChI InChI=1S/C24H29NO3/c1-3-7-20(8-4-1)24(21-9-5-2-6-10-21)18-26-16-22(28-24)17-27-23-15-25-13-11-19(23)12-14-25/h1-10,19,22-23H,11-18H2/t22-,23-/m1/s1
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4.60n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from recombinant human muscarinic M1 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting meth...


Eur J Med Chem 137: 327-337 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.004
BindingDB Entry DOI: 10.7270/Q2VT1VMF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50270746
PNG
(CHEMBL4129580)
Show SMILES C(O[C@H]1CN2CCC1CC2)[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r,wD:10.11,2.1,(29.11,-33.44,;30.44,-32.68,;31.77,-33.45,;31.76,-34.99,;33.08,-35.76,;34.42,-35,;34.43,-33.46,;33.1,-32.68,;32.37,-34.06,;33.65,-34.67,;27.77,-32.68,;27.77,-31.14,;26.45,-30.36,;25.12,-31.14,;25.09,-32.66,;26.45,-33.44,;23.75,-31.9,;23.76,-30.35,;22.43,-29.59,;21.09,-30.36,;21.1,-31.91,;22.43,-32.67,;24.32,-34,;22.78,-33.99,;22.01,-35.33,;22.78,-36.66,;24.33,-36.66,;25.1,-35.32,)|
Show InChI InChI=1S/C24H29NO3/c1-3-7-20(8-4-1)24(21-9-5-2-6-10-21)18-26-16-22(28-24)17-27-23-15-25-13-11-19(23)12-14-25/h1-10,19,22-23H,11-18H2/t22-,23+/m1/s1
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8.90n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from recombinant human muscarinic M1 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting meth...


Eur J Med Chem 137: 327-337 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.004
BindingDB Entry DOI: 10.7270/Q2VT1VMF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50385677
PNG
(CHEMBL2042553)
Show SMILES CN(C)C[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C19H23NO2/c1-20(2)13-18-14-21-15-19(22-18,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3/t18-/m0/s1
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9.80n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from recombinant human muscarinic M2 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting meth...


Eur J Med Chem 137: 327-337 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.004
BindingDB Entry DOI: 10.7270/Q2VT1VMF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50270731
PNG
(CHEMBL4128341)
Show SMILES C(O[C@@H]1CN2CCC1CC2)[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r,wU:2.1,wD:10.11,(59.71,-34.29,;61.05,-33.54,;62.38,-34.31,;62.36,-35.85,;63.69,-36.62,;65.02,-35.86,;65.03,-34.32,;63.7,-33.54,;62.98,-34.91,;64.25,-35.52,;58.38,-33.53,;58.37,-31.99,;57.05,-31.22,;55.72,-31.99,;55.69,-33.52,;57.05,-34.29,;54.36,-32.75,;54.36,-31.21,;53.03,-30.44,;51.69,-31.21,;51.7,-32.76,;53.04,-33.52,;54.92,-34.86,;53.38,-34.85,;52.61,-36.18,;53.39,-37.52,;54.94,-37.51,;55.7,-36.18,)|
Show InChI InChI=1S/C24H29NO3/c1-3-7-20(8-4-1)24(21-9-5-2-6-10-21)18-26-16-22(28-24)17-27-23-15-25-13-11-19(23)12-14-25/h1-10,19,22-23H,11-18H2/t22-,23-/m1/s1
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11n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from recombinant human muscarinic M4 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting meth...


Eur J Med Chem 137: 327-337 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.004
BindingDB Entry DOI: 10.7270/Q2VT1VMF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50370682
PNG
(SOLIFENACIN)
Show SMILES [H]C12CCN(CC1)C[C@@H]2OC(=O)N1CCc2ccccc2[C@@H]1c1ccccc1 |wD:8.10,21.25,TLB:9:8:2.3:6.5,(23.54,-9.18,;23.57,-7.64,;22.04,-8.3,;21.84,-6.92,;23.31,-6.28,;23.38,-4.63,;23.82,-5.74,;24.65,-6.88,;24.94,-8.28,;24.93,-9.81,;23.59,-10.56,;22.26,-9.79,;23.59,-12.1,;24.92,-12.9,;24.88,-14.45,;23.53,-15.19,;23.52,-16.72,;22.17,-17.47,;20.85,-16.68,;20.87,-15.14,;22.21,-14.39,;22.23,-12.84,;20.91,-12.06,;19.57,-12.81,;18.25,-12.02,;18.28,-10.47,;19.62,-9.73,;20.94,-10.52,)|
Show InChI InChI=1S/C23H26N2O2/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19/h1-9,18,21-22H,10-16H2/t21-,22-/m0/s1
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13n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from recombinant human muscarinic M3 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting meth...


Eur J Med Chem 137: 327-337 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.004
BindingDB Entry DOI: 10.7270/Q2VT1VMF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50270731
PNG
(CHEMBL4128341)
Show SMILES C(O[C@@H]1CN2CCC1CC2)[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r,wU:2.1,wD:10.11,(59.71,-34.29,;61.05,-33.54,;62.38,-34.31,;62.36,-35.85,;63.69,-36.62,;65.02,-35.86,;65.03,-34.32,;63.7,-33.54,;62.98,-34.91,;64.25,-35.52,;58.38,-33.53,;58.37,-31.99,;57.05,-31.22,;55.72,-31.99,;55.69,-33.52,;57.05,-34.29,;54.36,-32.75,;54.36,-31.21,;53.03,-30.44,;51.69,-31.21,;51.7,-32.76,;53.04,-33.52,;54.92,-34.86,;53.38,-34.85,;52.61,-36.18,;53.39,-37.52,;54.94,-37.51,;55.7,-36.18,)|
Show InChI InChI=1S/C24H29NO3/c1-3-7-20(8-4-1)24(21-9-5-2-6-10-21)18-26-16-22(28-24)17-27-23-15-25-13-11-19(23)12-14-25/h1-10,19,22-23H,11-18H2/t22-,23-/m1/s1
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19n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from recombinant human muscarinic M5 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting meth...


Eur J Med Chem 137: 327-337 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.004
BindingDB Entry DOI: 10.7270/Q2VT1VMF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50270731
PNG
(CHEMBL4128341)
Show SMILES C(O[C@@H]1CN2CCC1CC2)[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r,wU:2.1,wD:10.11,(59.71,-34.29,;61.05,-33.54,;62.38,-34.31,;62.36,-35.85,;63.69,-36.62,;65.02,-35.86,;65.03,-34.32,;63.7,-33.54,;62.98,-34.91,;64.25,-35.52,;58.38,-33.53,;58.37,-31.99,;57.05,-31.22,;55.72,-31.99,;55.69,-33.52,;57.05,-34.29,;54.36,-32.75,;54.36,-31.21,;53.03,-30.44,;51.69,-31.21,;51.7,-32.76,;53.04,-33.52,;54.92,-34.86,;53.38,-34.85,;52.61,-36.18,;53.39,-37.52,;54.94,-37.51,;55.7,-36.18,)|
Show InChI InChI=1S/C24H29NO3/c1-3-7-20(8-4-1)24(21-9-5-2-6-10-21)18-26-16-22(28-24)17-27-23-15-25-13-11-19(23)12-14-25/h1-10,19,22-23H,11-18H2/t22-,23-/m1/s1
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20n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from recombinant human muscarinic M3 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting meth...


Eur J Med Chem 137: 327-337 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.004
BindingDB Entry DOI: 10.7270/Q2VT1VMF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50270746
PNG
(CHEMBL4129580)
Show SMILES C(O[C@H]1CN2CCC1CC2)[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r,wD:10.11,2.1,(29.11,-33.44,;30.44,-32.68,;31.77,-33.45,;31.76,-34.99,;33.08,-35.76,;34.42,-35,;34.43,-33.46,;33.1,-32.68,;32.37,-34.06,;33.65,-34.67,;27.77,-32.68,;27.77,-31.14,;26.45,-30.36,;25.12,-31.14,;25.09,-32.66,;26.45,-33.44,;23.75,-31.9,;23.76,-30.35,;22.43,-29.59,;21.09,-30.36,;21.1,-31.91,;22.43,-32.67,;24.32,-34,;22.78,-33.99,;22.01,-35.33,;22.78,-36.66,;24.33,-36.66,;25.1,-35.32,)|
Show InChI InChI=1S/C24H29NO3/c1-3-7-20(8-4-1)24(21-9-5-2-6-10-21)18-26-16-22(28-24)17-27-23-15-25-13-11-19(23)12-14-25/h1-10,19,22-23H,11-18H2/t22-,23+/m1/s1
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23n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from recombinant human muscarinic M4 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting meth...


Eur J Med Chem 137: 327-337 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.004
BindingDB Entry DOI: 10.7270/Q2VT1VMF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50270731
PNG
(CHEMBL4128341)
Show SMILES C(O[C@@H]1CN2CCC1CC2)[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r,wU:2.1,wD:10.11,(59.71,-34.29,;61.05,-33.54,;62.38,-34.31,;62.36,-35.85,;63.69,-36.62,;65.02,-35.86,;65.03,-34.32,;63.7,-33.54,;62.98,-34.91,;64.25,-35.52,;58.38,-33.53,;58.37,-31.99,;57.05,-31.22,;55.72,-31.99,;55.69,-33.52,;57.05,-34.29,;54.36,-32.75,;54.36,-31.21,;53.03,-30.44,;51.69,-31.21,;51.7,-32.76,;53.04,-33.52,;54.92,-34.86,;53.38,-34.85,;52.61,-36.18,;53.39,-37.52,;54.94,-37.51,;55.7,-36.18,)|
Show InChI InChI=1S/C24H29NO3/c1-3-7-20(8-4-1)24(21-9-5-2-6-10-21)18-26-16-22(28-24)17-27-23-15-25-13-11-19(23)12-14-25/h1-10,19,22-23H,11-18H2/t22-,23-/m1/s1
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33n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from recombinant human muscarinic M2 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting meth...


Eur J Med Chem 137: 327-337 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.004
BindingDB Entry DOI: 10.7270/Q2VT1VMF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50385676
PNG
(CHEMBL2042554)
Show SMILES CN(C)C[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C19H23NO2/c1-20(2)13-18-14-21-15-19(22-18,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3/t18-/m1/s1
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35n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from recombinant human muscarinic M1 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting meth...


Eur J Med Chem 137: 327-337 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.004
BindingDB Entry DOI: 10.7270/Q2VT1VMF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50270744
PNG
(CHEMBL4126071)
Show SMILES O=C(O[C@H]1CN2CCC1CC2)[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r,wD:11.12,3.2,(25.85,-7.85,;25.85,-6.31,;27.18,-5.54,;28.51,-6.32,;28.5,-7.85,;29.82,-8.63,;31.16,-7.86,;31.17,-6.33,;29.83,-5.55,;29.11,-6.92,;30.39,-7.53,;24.52,-5.54,;24.51,-4,;23.18,-3.22,;21.86,-4,;21.83,-5.53,;23.18,-6.3,;20.49,-4.76,;20.5,-3.22,;19.17,-2.45,;17.83,-3.22,;17.84,-4.77,;19.17,-5.53,;21.06,-6.86,;19.52,-6.85,;18.75,-8.19,;19.52,-9.52,;21.07,-9.52,;21.84,-8.18,)|
Show InChI InChI=1S/C24H27NO4/c26-23(28-21-15-25-13-11-18(21)12-14-25)22-16-27-17-24(29-22,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,18,21-22H,11-17H2/t21-,22+/m0/s1
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42n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from recombinant human muscarinic M1 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting meth...


Eur J Med Chem 137: 327-337 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.004
BindingDB Entry DOI: 10.7270/Q2VT1VMF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50270746
PNG
(CHEMBL4129580)
Show SMILES C(O[C@H]1CN2CCC1CC2)[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r,wD:10.11,2.1,(29.11,-33.44,;30.44,-32.68,;31.77,-33.45,;31.76,-34.99,;33.08,-35.76,;34.42,-35,;34.43,-33.46,;33.1,-32.68,;32.37,-34.06,;33.65,-34.67,;27.77,-32.68,;27.77,-31.14,;26.45,-30.36,;25.12,-31.14,;25.09,-32.66,;26.45,-33.44,;23.75,-31.9,;23.76,-30.35,;22.43,-29.59,;21.09,-30.36,;21.1,-31.91,;22.43,-32.67,;24.32,-34,;22.78,-33.99,;22.01,-35.33,;22.78,-36.66,;24.33,-36.66,;25.1,-35.32,)|
Show InChI InChI=1S/C24H29NO3/c1-3-7-20(8-4-1)24(21-9-5-2-6-10-21)18-26-16-22(28-24)17-27-23-15-25-13-11-19(23)12-14-25/h1-10,19,22-23H,11-18H2/t22-,23+/m1/s1
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44n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from recombinant human muscarinic M3 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting meth...


Eur J Med Chem 137: 327-337 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.004
BindingDB Entry DOI: 10.7270/Q2VT1VMF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50370682
PNG
(SOLIFENACIN)
Show SMILES [H]C12CCN(CC1)C[C@@H]2OC(=O)N1CCc2ccccc2[C@@H]1c1ccccc1 |wD:8.10,21.25,TLB:9:8:2.3:6.5,(23.54,-9.18,;23.57,-7.64,;22.04,-8.3,;21.84,-6.92,;23.31,-6.28,;23.38,-4.63,;23.82,-5.74,;24.65,-6.88,;24.94,-8.28,;24.93,-9.81,;23.59,-10.56,;22.26,-9.79,;23.59,-12.1,;24.92,-12.9,;24.88,-14.45,;23.53,-15.19,;23.52,-16.72,;22.17,-17.47,;20.85,-16.68,;20.87,-15.14,;22.21,-14.39,;22.23,-12.84,;20.91,-12.06,;19.57,-12.81,;18.25,-12.02,;18.28,-10.47,;19.62,-9.73,;20.94,-10.52,)|
Show InChI InChI=1S/C23H26N2O2/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19/h1-9,18,21-22H,10-16H2/t21-,22-/m0/s1
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44n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from recombinant human muscarinic M5 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting meth...


Eur J Med Chem 137: 327-337 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.004
BindingDB Entry DOI: 10.7270/Q2VT1VMF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50270746
PNG
(CHEMBL4129580)
Show SMILES C(O[C@H]1CN2CCC1CC2)[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r,wD:10.11,2.1,(29.11,-33.44,;30.44,-32.68,;31.77,-33.45,;31.76,-34.99,;33.08,-35.76,;34.42,-35,;34.43,-33.46,;33.1,-32.68,;32.37,-34.06,;33.65,-34.67,;27.77,-32.68,;27.77,-31.14,;26.45,-30.36,;25.12,-31.14,;25.09,-32.66,;26.45,-33.44,;23.75,-31.9,;23.76,-30.35,;22.43,-29.59,;21.09,-30.36,;21.1,-31.91,;22.43,-32.67,;24.32,-34,;22.78,-33.99,;22.01,-35.33,;22.78,-36.66,;24.33,-36.66,;25.1,-35.32,)|
Show InChI InChI=1S/C24H29NO3/c1-3-7-20(8-4-1)24(21-9-5-2-6-10-21)18-26-16-22(28-24)17-27-23-15-25-13-11-19(23)12-14-25/h1-10,19,22-23H,11-18H2/t22-,23+/m1/s1
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46n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from recombinant human muscarinic M5 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting meth...


Eur J Med Chem 137: 327-337 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.004
BindingDB Entry DOI: 10.7270/Q2VT1VMF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50370682
PNG
(SOLIFENACIN)
Show SMILES [H]C12CCN(CC1)C[C@@H]2OC(=O)N1CCc2ccccc2[C@@H]1c1ccccc1 |wD:8.10,21.25,TLB:9:8:2.3:6.5,(23.54,-9.18,;23.57,-7.64,;22.04,-8.3,;21.84,-6.92,;23.31,-6.28,;23.38,-4.63,;23.82,-5.74,;24.65,-6.88,;24.94,-8.28,;24.93,-9.81,;23.59,-10.56,;22.26,-9.79,;23.59,-12.1,;24.92,-12.9,;24.88,-14.45,;23.53,-15.19,;23.52,-16.72,;22.17,-17.47,;20.85,-16.68,;20.87,-15.14,;22.21,-14.39,;22.23,-12.84,;20.91,-12.06,;19.57,-12.81,;18.25,-12.02,;18.28,-10.47,;19.62,-9.73,;20.94,-10.52,)|
Show InChI InChI=1S/C23H26N2O2/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19/h1-9,18,21-22H,10-16H2/t21-,22-/m0/s1
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51n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from recombinant human muscarinic M1 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting meth...


Eur J Med Chem 137: 327-337 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.004
BindingDB Entry DOI: 10.7270/Q2VT1VMF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50270738
PNG
(CHEMBL4126290)
Show SMILES C(O[C@@H]1CN2CCC1CC2)[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r,wU:10.11,2.1,(11.64,-32.33,;12.97,-31.58,;14.3,-32.35,;14.29,-33.89,;15.61,-34.66,;16.95,-33.9,;16.95,-32.36,;15.62,-31.58,;14.9,-32.95,;16.17,-33.56,;10.3,-31.57,;10.3,-30.03,;8.97,-29.25,;7.64,-30.03,;7.62,-31.56,;8.97,-32.33,;6.28,-30.79,;6.29,-29.25,;4.95,-28.48,;3.62,-29.25,;3.62,-30.8,;4.96,-31.56,;6.85,-32.89,;5.31,-32.89,;4.54,-34.22,;5.31,-35.56,;6.86,-35.55,;7.62,-34.21,)|
Show InChI InChI=1S/C24H29NO3/c1-3-7-20(8-4-1)24(21-9-5-2-6-10-21)18-26-16-22(28-24)17-27-23-15-25-13-11-19(23)12-14-25/h1-10,19,22-23H,11-18H2/t22-,23+/m0/s1
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55n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from recombinant human muscarinic M1 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting meth...


Eur J Med Chem 137: 327-337 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.004
BindingDB Entry DOI: 10.7270/Q2VT1VMF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50270746
PNG
(CHEMBL4129580)
Show SMILES C(O[C@H]1CN2CCC1CC2)[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r,wD:10.11,2.1,(29.11,-33.44,;30.44,-32.68,;31.77,-33.45,;31.76,-34.99,;33.08,-35.76,;34.42,-35,;34.43,-33.46,;33.1,-32.68,;32.37,-34.06,;33.65,-34.67,;27.77,-32.68,;27.77,-31.14,;26.45,-30.36,;25.12,-31.14,;25.09,-32.66,;26.45,-33.44,;23.75,-31.9,;23.76,-30.35,;22.43,-29.59,;21.09,-30.36,;21.1,-31.91,;22.43,-32.67,;24.32,-34,;22.78,-33.99,;22.01,-35.33,;22.78,-36.66,;24.33,-36.66,;25.1,-35.32,)|
Show InChI InChI=1S/C24H29NO3/c1-3-7-20(8-4-1)24(21-9-5-2-6-10-21)18-26-16-22(28-24)17-27-23-15-25-13-11-19(23)12-14-25/h1-10,19,22-23H,11-18H2/t22-,23+/m1/s1
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58n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from recombinant human muscarinic M2 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting meth...


Eur J Med Chem 137: 327-337 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.004
BindingDB Entry DOI: 10.7270/Q2VT1VMF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50270738
PNG
(CHEMBL4126290)
Show SMILES C(O[C@@H]1CN2CCC1CC2)[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r,wU:10.11,2.1,(11.64,-32.33,;12.97,-31.58,;14.3,-32.35,;14.29,-33.89,;15.61,-34.66,;16.95,-33.9,;16.95,-32.36,;15.62,-31.58,;14.9,-32.95,;16.17,-33.56,;10.3,-31.57,;10.3,-30.03,;8.97,-29.25,;7.64,-30.03,;7.62,-31.56,;8.97,-32.33,;6.28,-30.79,;6.29,-29.25,;4.95,-28.48,;3.62,-29.25,;3.62,-30.8,;4.96,-31.56,;6.85,-32.89,;5.31,-32.89,;4.54,-34.22,;5.31,-35.56,;6.86,-35.55,;7.62,-34.21,)|
Show InChI InChI=1S/C24H29NO3/c1-3-7-20(8-4-1)24(21-9-5-2-6-10-21)18-26-16-22(28-24)17-27-23-15-25-13-11-19(23)12-14-25/h1-10,19,22-23H,11-18H2/t22-,23+/m0/s1
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62n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from recombinant human muscarinic M2 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting meth...


Eur J Med Chem 137: 327-337 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.004
BindingDB Entry DOI: 10.7270/Q2VT1VMF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50270745
PNG
(CHEMBL4127373)
Show SMILES C[C@@]1(COCC(O1)(c1ccccc1)c1ccccc1)C(=O)O[C@H]1CN2CCC1CC2 |r,wU:1.0,wD:22.24,(27.76,-18.67,;26.43,-19.45,;26.43,-17.91,;25.1,-17.14,;23.77,-17.91,;23.74,-19.44,;25.1,-20.21,;22.41,-18.67,;22.41,-17.13,;21.08,-16.36,;19.74,-17.13,;19.75,-18.68,;21.09,-19.44,;22.97,-20.78,;21.43,-20.77,;20.66,-22.1,;21.44,-23.44,;22.99,-23.43,;23.75,-22.1,;27.76,-20.21,;27.76,-21.76,;29.1,-19.46,;30.43,-20.23,;30.41,-21.77,;31.74,-22.54,;33.07,-21.78,;33.08,-20.24,;31.75,-19.46,;31.03,-20.83,;32.3,-21.44,)|
Show InChI InChI=1S/C25H29NO4/c1-24(23(27)29-22-16-26-14-12-19(22)13-15-26)17-28-18-25(30-24,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,19,22H,12-18H2,1H3/t22-,24+/m0/s1
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68n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from recombinant human muscarinic M1 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting meth...


Eur J Med Chem 137: 327-337 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.004
BindingDB Entry DOI: 10.7270/Q2VT1VMF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50385676
PNG
(CHEMBL2042554)
Show SMILES CN(C)C[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C19H23NO2/c1-20(2)13-18-14-21-15-19(22-18,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3/t18-/m1/s1
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71n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from recombinant human muscarinic M4 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting meth...


Eur J Med Chem 137: 327-337 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.004
BindingDB Entry DOI: 10.7270/Q2VT1VMF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50385676
PNG
(CHEMBL2042554)
Show SMILES CN(C)C[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C19H23NO2/c1-20(2)13-18-14-21-15-19(22-18,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3/t18-/m1/s1
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72n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from recombinant human muscarinic M3 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting meth...


Eur J Med Chem 137: 327-337 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.004
BindingDB Entry DOI: 10.7270/Q2VT1VMF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50385676
PNG
(CHEMBL2042554)
Show SMILES CN(C)C[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C19H23NO2/c1-20(2)13-18-14-21-15-19(22-18,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3/t18-/m1/s1
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81n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from recombinant human muscarinic M5 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting meth...


Eur J Med Chem 137: 327-337 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.004
BindingDB Entry DOI: 10.7270/Q2VT1VMF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50385676
PNG
(CHEMBL2042554)
Show SMILES CN(C)C[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C19H23NO2/c1-20(2)13-18-14-21-15-19(22-18,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3/t18-/m1/s1
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95n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from recombinant human muscarinic M2 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting meth...


Eur J Med Chem 137: 327-337 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.004
BindingDB Entry DOI: 10.7270/Q2VT1VMF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50270744
PNG
(CHEMBL4126071)
Show SMILES O=C(O[C@H]1CN2CCC1CC2)[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r,wD:11.12,3.2,(25.85,-7.85,;25.85,-6.31,;27.18,-5.54,;28.51,-6.32,;28.5,-7.85,;29.82,-8.63,;31.16,-7.86,;31.17,-6.33,;29.83,-5.55,;29.11,-6.92,;30.39,-7.53,;24.52,-5.54,;24.51,-4,;23.18,-3.22,;21.86,-4,;21.83,-5.53,;23.18,-6.3,;20.49,-4.76,;20.5,-3.22,;19.17,-2.45,;17.83,-3.22,;17.84,-4.77,;19.17,-5.53,;21.06,-6.86,;19.52,-6.85,;18.75,-8.19,;19.52,-9.52,;21.07,-9.52,;21.84,-8.18,)|
Show InChI InChI=1S/C24H27NO4/c26-23(28-21-15-25-13-11-18(21)12-14-25)22-16-27-17-24(29-22,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,18,21-22H,11-17H2/t21-,22+/m0/s1
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95n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from recombinant human muscarinic M2 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting meth...


Eur J Med Chem 137: 327-337 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.004
BindingDB Entry DOI: 10.7270/Q2VT1VMF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50270738
PNG
(CHEMBL4126290)
Show SMILES C(O[C@@H]1CN2CCC1CC2)[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r,wU:10.11,2.1,(11.64,-32.33,;12.97,-31.58,;14.3,-32.35,;14.29,-33.89,;15.61,-34.66,;16.95,-33.9,;16.95,-32.36,;15.62,-31.58,;14.9,-32.95,;16.17,-33.56,;10.3,-31.57,;10.3,-30.03,;8.97,-29.25,;7.64,-30.03,;7.62,-31.56,;8.97,-32.33,;6.28,-30.79,;6.29,-29.25,;4.95,-28.48,;3.62,-29.25,;3.62,-30.8,;4.96,-31.56,;6.85,-32.89,;5.31,-32.89,;4.54,-34.22,;5.31,-35.56,;6.86,-35.55,;7.62,-34.21,)|
Show InChI InChI=1S/C24H29NO3/c1-3-7-20(8-4-1)24(21-9-5-2-6-10-21)18-26-16-22(28-24)17-27-23-15-25-13-11-19(23)12-14-25/h1-10,19,22-23H,11-18H2/t22-,23+/m0/s1
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100n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from recombinant human muscarinic M4 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting meth...


Eur J Med Chem 137: 327-337 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.004
BindingDB Entry DOI: 10.7270/Q2VT1VMF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50270738
PNG
(CHEMBL4126290)
Show SMILES C(O[C@@H]1CN2CCC1CC2)[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r,wU:10.11,2.1,(11.64,-32.33,;12.97,-31.58,;14.3,-32.35,;14.29,-33.89,;15.61,-34.66,;16.95,-33.9,;16.95,-32.36,;15.62,-31.58,;14.9,-32.95,;16.17,-33.56,;10.3,-31.57,;10.3,-30.03,;8.97,-29.25,;7.64,-30.03,;7.62,-31.56,;8.97,-32.33,;6.28,-30.79,;6.29,-29.25,;4.95,-28.48,;3.62,-29.25,;3.62,-30.8,;4.96,-31.56,;6.85,-32.89,;5.31,-32.89,;4.54,-34.22,;5.31,-35.56,;6.86,-35.55,;7.62,-34.21,)|
Show InChI InChI=1S/C24H29NO3/c1-3-7-20(8-4-1)24(21-9-5-2-6-10-21)18-26-16-22(28-24)17-27-23-15-25-13-11-19(23)12-14-25/h1-10,19,22-23H,11-18H2/t22-,23+/m0/s1
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105n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from recombinant human muscarinic M3 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting meth...


Eur J Med Chem 137: 327-337 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.004
BindingDB Entry DOI: 10.7270/Q2VT1VMF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50270738
PNG
(CHEMBL4126290)
Show SMILES C(O[C@@H]1CN2CCC1CC2)[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r,wU:10.11,2.1,(11.64,-32.33,;12.97,-31.58,;14.3,-32.35,;14.29,-33.89,;15.61,-34.66,;16.95,-33.9,;16.95,-32.36,;15.62,-31.58,;14.9,-32.95,;16.17,-33.56,;10.3,-31.57,;10.3,-30.03,;8.97,-29.25,;7.64,-30.03,;7.62,-31.56,;8.97,-32.33,;6.28,-30.79,;6.29,-29.25,;4.95,-28.48,;3.62,-29.25,;3.62,-30.8,;4.96,-31.56,;6.85,-32.89,;5.31,-32.89,;4.54,-34.22,;5.31,-35.56,;6.86,-35.55,;7.62,-34.21,)|
Show InChI InChI=1S/C24H29NO3/c1-3-7-20(8-4-1)24(21-9-5-2-6-10-21)18-26-16-22(28-24)17-27-23-15-25-13-11-19(23)12-14-25/h1-10,19,22-23H,11-18H2/t22-,23+/m0/s1
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112n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from recombinant human muscarinic M5 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting meth...


Eur J Med Chem 137: 327-337 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.004
BindingDB Entry DOI: 10.7270/Q2VT1VMF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50270741
PNG
(CHEMBL4127428)
Show SMILES C[C@]1(COCC(O1)(c1ccccc1)c1ccccc1)C(=O)O[C@H]1CN2CCC1CC2 |r,wU:1.21,wD:22.24,(42.31,-18.39,;40.98,-19.16,;40.98,-17.63,;39.65,-16.85,;38.32,-17.63,;38.29,-19.15,;39.65,-19.93,;36.96,-18.38,;36.96,-16.84,;35.63,-16.07,;34.29,-16.85,;34.3,-18.4,;35.64,-19.16,;37.52,-20.49,;35.98,-20.48,;35.21,-21.81,;35.99,-23.15,;37.54,-23.14,;38.3,-21.81,;42.31,-19.93,;42.31,-21.48,;43.64,-19.17,;44.98,-19.94,;44.96,-21.48,;46.29,-22.25,;47.62,-21.49,;47.63,-19.95,;46.3,-19.17,;45.58,-20.55,;46.85,-21.15,)|
Show InChI InChI=1S/C25H29NO4/c1-24(23(27)29-22-16-26-14-12-19(22)13-15-26)17-28-18-25(30-24,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,19,22H,12-18H2,1H3/t22-,24-/m0/s1
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120n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from recombinant human muscarinic M1 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting meth...


Eur J Med Chem 137: 327-337 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.004
BindingDB Entry DOI: 10.7270/Q2VT1VMF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50370682
PNG
(SOLIFENACIN)
Show SMILES [H]C12CCN(CC1)C[C@@H]2OC(=O)N1CCc2ccccc2[C@@H]1c1ccccc1 |wD:8.10,21.25,TLB:9:8:2.3:6.5,(23.54,-9.18,;23.57,-7.64,;22.04,-8.3,;21.84,-6.92,;23.31,-6.28,;23.38,-4.63,;23.82,-5.74,;24.65,-6.88,;24.94,-8.28,;24.93,-9.81,;23.59,-10.56,;22.26,-9.79,;23.59,-12.1,;24.92,-12.9,;24.88,-14.45,;23.53,-15.19,;23.52,-16.72,;22.17,-17.47,;20.85,-16.68,;20.87,-15.14,;22.21,-14.39,;22.23,-12.84,;20.91,-12.06,;19.57,-12.81,;18.25,-12.02,;18.28,-10.47,;19.62,-9.73,;20.94,-10.52,)|
Show InChI InChI=1S/C23H26N2O2/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19/h1-9,18,21-22H,10-16H2/t21-,22-/m0/s1
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120n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from recombinant human muscarinic M2 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting meth...


Eur J Med Chem 137: 327-337 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.004
BindingDB Entry DOI: 10.7270/Q2VT1VMF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50370682
PNG
(SOLIFENACIN)
Show SMILES [H]C12CCN(CC1)C[C@@H]2OC(=O)N1CCc2ccccc2[C@@H]1c1ccccc1 |wD:8.10,21.25,TLB:9:8:2.3:6.5,(23.54,-9.18,;23.57,-7.64,;22.04,-8.3,;21.84,-6.92,;23.31,-6.28,;23.38,-4.63,;23.82,-5.74,;24.65,-6.88,;24.94,-8.28,;24.93,-9.81,;23.59,-10.56,;22.26,-9.79,;23.59,-12.1,;24.92,-12.9,;24.88,-14.45,;23.53,-15.19,;23.52,-16.72,;22.17,-17.47,;20.85,-16.68,;20.87,-15.14,;22.21,-14.39,;22.23,-12.84,;20.91,-12.06,;19.57,-12.81,;18.25,-12.02,;18.28,-10.47,;19.62,-9.73,;20.94,-10.52,)|
Show InChI InChI=1S/C23H26N2O2/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19/h1-9,18,21-22H,10-16H2/t21-,22-/m0/s1
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129n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from recombinant human muscarinic M4 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting meth...


Eur J Med Chem 137: 327-337 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.004
BindingDB Entry DOI: 10.7270/Q2VT1VMF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50270745
PNG
(CHEMBL4127373)
Show SMILES C[C@@]1(COCC(O1)(c1ccccc1)c1ccccc1)C(=O)O[C@H]1CN2CCC1CC2 |r,wU:1.0,wD:22.24,(27.76,-18.67,;26.43,-19.45,;26.43,-17.91,;25.1,-17.14,;23.77,-17.91,;23.74,-19.44,;25.1,-20.21,;22.41,-18.67,;22.41,-17.13,;21.08,-16.36,;19.74,-17.13,;19.75,-18.68,;21.09,-19.44,;22.97,-20.78,;21.43,-20.77,;20.66,-22.1,;21.44,-23.44,;22.99,-23.43,;23.75,-22.1,;27.76,-20.21,;27.76,-21.76,;29.1,-19.46,;30.43,-20.23,;30.41,-21.77,;31.74,-22.54,;33.07,-21.78,;33.08,-20.24,;31.75,-19.46,;31.03,-20.83,;32.3,-21.44,)|
Show InChI InChI=1S/C25H29NO4/c1-24(23(27)29-22-16-26-14-12-19(22)13-15-26)17-28-18-25(30-24,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,19,22H,12-18H2,1H3/t22-,24+/m0/s1
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141n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from recombinant human muscarinic M4 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting meth...


Eur J Med Chem 137: 327-337 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.004
BindingDB Entry DOI: 10.7270/Q2VT1VMF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50270745
PNG
(CHEMBL4127373)
Show SMILES C[C@@]1(COCC(O1)(c1ccccc1)c1ccccc1)C(=O)O[C@H]1CN2CCC1CC2 |r,wU:1.0,wD:22.24,(27.76,-18.67,;26.43,-19.45,;26.43,-17.91,;25.1,-17.14,;23.77,-17.91,;23.74,-19.44,;25.1,-20.21,;22.41,-18.67,;22.41,-17.13,;21.08,-16.36,;19.74,-17.13,;19.75,-18.68,;21.09,-19.44,;22.97,-20.78,;21.43,-20.77,;20.66,-22.1,;21.44,-23.44,;22.99,-23.43,;23.75,-22.1,;27.76,-20.21,;27.76,-21.76,;29.1,-19.46,;30.43,-20.23,;30.41,-21.77,;31.74,-22.54,;33.07,-21.78,;33.08,-20.24,;31.75,-19.46,;31.03,-20.83,;32.3,-21.44,)|
Show InChI InChI=1S/C25H29NO4/c1-24(23(27)29-22-16-26-14-12-19(22)13-15-26)17-28-18-25(30-24,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,19,22H,12-18H2,1H3/t22-,24+/m0/s1
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158n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from recombinant human muscarinic M2 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting meth...


Eur J Med Chem 137: 327-337 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.004
BindingDB Entry DOI: 10.7270/Q2VT1VMF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50270742
PNG
(CHEMBL4129723)
Show SMILES C(O[C@H]1CN2CCC1CC2)[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r,wU:10.11,wD:2.1,(44.01,-33.15,;45.34,-32.4,;46.67,-33.17,;46.66,-34.71,;47.99,-35.48,;49.32,-34.72,;49.33,-33.18,;48,-32.4,;47.27,-33.77,;48.55,-34.38,;42.68,-32.39,;42.67,-30.85,;41.35,-30.07,;40.02,-30.85,;39.99,-32.38,;41.35,-33.15,;38.66,-31.61,;38.66,-30.07,;37.33,-29.3,;35.99,-30.07,;36,-31.62,;37.33,-32.38,;39.22,-33.71,;37.68,-33.71,;36.91,-35.04,;37.69,-36.38,;39.24,-36.37,;40,-35.03,)|
Show InChI InChI=1S/C24H29NO3/c1-3-7-20(8-4-1)24(21-9-5-2-6-10-21)18-26-16-22(28-24)17-27-23-15-25-13-11-19(23)12-14-25/h1-10,19,22-23H,11-18H2/t22-,23-/m0/s1
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162n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from recombinant human muscarinic M1 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting meth...


Eur J Med Chem 137: 327-337 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.004
BindingDB Entry DOI: 10.7270/Q2VT1VMF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50270744
PNG
(CHEMBL4126071)
Show SMILES O=C(O[C@H]1CN2CCC1CC2)[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r,wD:11.12,3.2,(25.85,-7.85,;25.85,-6.31,;27.18,-5.54,;28.51,-6.32,;28.5,-7.85,;29.82,-8.63,;31.16,-7.86,;31.17,-6.33,;29.83,-5.55,;29.11,-6.92,;30.39,-7.53,;24.52,-5.54,;24.51,-4,;23.18,-3.22,;21.86,-4,;21.83,-5.53,;23.18,-6.3,;20.49,-4.76,;20.5,-3.22,;19.17,-2.45,;17.83,-3.22,;17.84,-4.77,;19.17,-5.53,;21.06,-6.86,;19.52,-6.85,;18.75,-8.19,;19.52,-9.52,;21.07,-9.52,;21.84,-8.18,)|
Show InChI InChI=1S/C24H27NO4/c26-23(28-21-15-25-13-11-18(21)12-14-25)22-16-27-17-24(29-22,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,18,21-22H,11-17H2/t21-,22+/m0/s1
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166n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from recombinant human muscarinic M4 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting meth...


Eur J Med Chem 137: 327-337 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.004
BindingDB Entry DOI: 10.7270/Q2VT1VMF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50270741
PNG
(CHEMBL4127428)
Show SMILES C[C@]1(COCC(O1)(c1ccccc1)c1ccccc1)C(=O)O[C@H]1CN2CCC1CC2 |r,wU:1.21,wD:22.24,(42.31,-18.39,;40.98,-19.16,;40.98,-17.63,;39.65,-16.85,;38.32,-17.63,;38.29,-19.15,;39.65,-19.93,;36.96,-18.38,;36.96,-16.84,;35.63,-16.07,;34.29,-16.85,;34.3,-18.4,;35.64,-19.16,;37.52,-20.49,;35.98,-20.48,;35.21,-21.81,;35.99,-23.15,;37.54,-23.14,;38.3,-21.81,;42.31,-19.93,;42.31,-21.48,;43.64,-19.17,;44.98,-19.94,;44.96,-21.48,;46.29,-22.25,;47.62,-21.49,;47.63,-19.95,;46.3,-19.17,;45.58,-20.55,;46.85,-21.15,)|
Show InChI InChI=1S/C25H29NO4/c1-24(23(27)29-22-16-26-14-12-19(22)13-15-26)17-28-18-25(30-24,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,19,22H,12-18H2,1H3/t22-,24-/m0/s1
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178n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from recombinant human muscarinic M4 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting meth...


Eur J Med Chem 137: 327-337 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.004
BindingDB Entry DOI: 10.7270/Q2VT1VMF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50270737
PNG
(CHEMBL4130037)
Show SMILES O=C(O[C@@H]1CN2CCC1CC2)[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r,wU:3.2,wD:11.12,(58.89,-7.67,;58.89,-6.13,;60.23,-5.37,;61.56,-6.14,;61.54,-7.68,;62.87,-8.45,;64.2,-7.69,;64.21,-6.15,;62.88,-5.37,;62.16,-6.74,;63.43,-7.35,;57.56,-5.36,;57.56,-3.82,;56.23,-3.04,;54.9,-3.82,;54.87,-5.35,;56.23,-6.12,;53.54,-4.58,;53.54,-3.04,;52.21,-2.27,;50.87,-3.04,;50.88,-4.59,;52.22,-5.35,;54.1,-6.68,;52.56,-6.68,;51.8,-8.01,;52.57,-9.35,;54.12,-9.34,;54.88,-8,)|
Show InChI InChI=1S/C24H27NO4/c26-23(28-21-15-25-13-11-18(21)12-14-25)22-16-27-17-24(29-22,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,18,21-22H,11-17H2/t21-,22-/m1/s1
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191n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from recombinant human muscarinic M1 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting meth...


Eur J Med Chem 137: 327-337 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.004
BindingDB Entry DOI: 10.7270/Q2VT1VMF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50270739
PNG
(CHEMBL4128497)
Show SMILES C[C@@]1(COCC(O1)(c1ccccc1)c1ccccc1)C(=O)O[C@@H]1CN2CCC1CC2 |r,wU:1.0,22.24,(58.5,-19.15,;57.17,-19.93,;57.17,-18.39,;55.84,-17.61,;54.52,-18.39,;54.49,-19.92,;55.84,-20.69,;53.15,-19.15,;53.16,-17.61,;51.82,-16.84,;50.49,-17.61,;50.5,-19.16,;51.83,-19.92,;53.72,-21.25,;52.18,-21.24,;51.41,-22.58,;52.18,-23.92,;53.73,-23.91,;54.49,-22.57,;58.51,-20.69,;58.51,-22.24,;59.84,-19.93,;61.17,-20.71,;61.16,-22.24,;62.48,-23.02,;63.82,-22.25,;63.83,-20.71,;62.49,-19.94,;61.77,-21.31,;63.05,-21.92,)|
Show InChI InChI=1S/C25H29NO4/c1-24(23(27)29-22-16-26-14-12-19(22)13-15-26)17-28-18-25(30-24,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,19,22H,12-18H2,1H3/t22-,24-/m1/s1
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195n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from recombinant human muscarinic M1 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting meth...


Eur J Med Chem 137: 327-337 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.004
BindingDB Entry DOI: 10.7270/Q2VT1VMF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50270741
PNG
(CHEMBL4127428)
Show SMILES C[C@]1(COCC(O1)(c1ccccc1)c1ccccc1)C(=O)O[C@H]1CN2CCC1CC2 |r,wU:1.21,wD:22.24,(42.31,-18.39,;40.98,-19.16,;40.98,-17.63,;39.65,-16.85,;38.32,-17.63,;38.29,-19.15,;39.65,-19.93,;36.96,-18.38,;36.96,-16.84,;35.63,-16.07,;34.29,-16.85,;34.3,-18.4,;35.64,-19.16,;37.52,-20.49,;35.98,-20.48,;35.21,-21.81,;35.99,-23.15,;37.54,-23.14,;38.3,-21.81,;42.31,-19.93,;42.31,-21.48,;43.64,-19.17,;44.98,-19.94,;44.96,-21.48,;46.29,-22.25,;47.62,-21.49,;47.63,-19.95,;46.3,-19.17,;45.58,-20.55,;46.85,-21.15,)|
Show InChI InChI=1S/C25H29NO4/c1-24(23(27)29-22-16-26-14-12-19(22)13-15-26)17-28-18-25(30-24,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,19,22H,12-18H2,1H3/t22-,24-/m0/s1
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200n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from recombinant human muscarinic M2 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting meth...


Eur J Med Chem 137: 327-337 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.004
BindingDB Entry DOI: 10.7270/Q2VT1VMF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50270744
PNG
(CHEMBL4126071)
Show SMILES O=C(O[C@H]1CN2CCC1CC2)[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r,wD:11.12,3.2,(25.85,-7.85,;25.85,-6.31,;27.18,-5.54,;28.51,-6.32,;28.5,-7.85,;29.82,-8.63,;31.16,-7.86,;31.17,-6.33,;29.83,-5.55,;29.11,-6.92,;30.39,-7.53,;24.52,-5.54,;24.51,-4,;23.18,-3.22,;21.86,-4,;21.83,-5.53,;23.18,-6.3,;20.49,-4.76,;20.5,-3.22,;19.17,-2.45,;17.83,-3.22,;17.84,-4.77,;19.17,-5.53,;21.06,-6.86,;19.52,-6.85,;18.75,-8.19,;19.52,-9.52,;21.07,-9.52,;21.84,-8.18,)|
Show InChI InChI=1S/C24H27NO4/c26-23(28-21-15-25-13-11-18(21)12-14-25)22-16-27-17-24(29-22,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,18,21-22H,11-17H2/t21-,22+/m0/s1
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245n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from recombinant human muscarinic M5 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting meth...


Eur J Med Chem 137: 327-337 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.004
BindingDB Entry DOI: 10.7270/Q2VT1VMF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50270739
PNG
(CHEMBL4128497)
Show SMILES C[C@@]1(COCC(O1)(c1ccccc1)c1ccccc1)C(=O)O[C@@H]1CN2CCC1CC2 |r,wU:1.0,22.24,(58.5,-19.15,;57.17,-19.93,;57.17,-18.39,;55.84,-17.61,;54.52,-18.39,;54.49,-19.92,;55.84,-20.69,;53.15,-19.15,;53.16,-17.61,;51.82,-16.84,;50.49,-17.61,;50.5,-19.16,;51.83,-19.92,;53.72,-21.25,;52.18,-21.24,;51.41,-22.58,;52.18,-23.92,;53.73,-23.91,;54.49,-22.57,;58.51,-20.69,;58.51,-22.24,;59.84,-19.93,;61.17,-20.71,;61.16,-22.24,;62.48,-23.02,;63.82,-22.25,;63.83,-20.71,;62.49,-19.94,;61.77,-21.31,;63.05,-21.92,)|
Show InChI InChI=1S/C25H29NO4/c1-24(23(27)29-22-16-26-14-12-19(22)13-15-26)17-28-18-25(30-24,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,19,22H,12-18H2,1H3/t22-,24-/m1/s1
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257n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from recombinant human muscarinic M4 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting meth...


Eur J Med Chem 137: 327-337 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.004
BindingDB Entry DOI: 10.7270/Q2VT1VMF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50270744
PNG
(CHEMBL4126071)
Show SMILES O=C(O[C@H]1CN2CCC1CC2)[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r,wD:11.12,3.2,(25.85,-7.85,;25.85,-6.31,;27.18,-5.54,;28.51,-6.32,;28.5,-7.85,;29.82,-8.63,;31.16,-7.86,;31.17,-6.33,;29.83,-5.55,;29.11,-6.92,;30.39,-7.53,;24.52,-5.54,;24.51,-4,;23.18,-3.22,;21.86,-4,;21.83,-5.53,;23.18,-6.3,;20.49,-4.76,;20.5,-3.22,;19.17,-2.45,;17.83,-3.22,;17.84,-4.77,;19.17,-5.53,;21.06,-6.86,;19.52,-6.85,;18.75,-8.19,;19.52,-9.52,;21.07,-9.52,;21.84,-8.18,)|
Show InChI InChI=1S/C24H27NO4/c26-23(28-21-15-25-13-11-18(21)12-14-25)22-16-27-17-24(29-22,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,18,21-22H,11-17H2/t21-,22+/m0/s1
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269n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from recombinant human muscarinic M3 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting meth...


Eur J Med Chem 137: 327-337 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.004
BindingDB Entry DOI: 10.7270/Q2VT1VMF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50270742
PNG
(CHEMBL4129723)
Show SMILES C(O[C@H]1CN2CCC1CC2)[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r,wU:10.11,wD:2.1,(44.01,-33.15,;45.34,-32.4,;46.67,-33.17,;46.66,-34.71,;47.99,-35.48,;49.32,-34.72,;49.33,-33.18,;48,-32.4,;47.27,-33.77,;48.55,-34.38,;42.68,-32.39,;42.67,-30.85,;41.35,-30.07,;40.02,-30.85,;39.99,-32.38,;41.35,-33.15,;38.66,-31.61,;38.66,-30.07,;37.33,-29.3,;35.99,-30.07,;36,-31.62,;37.33,-32.38,;39.22,-33.71,;37.68,-33.71,;36.91,-35.04,;37.69,-36.38,;39.24,-36.37,;40,-35.03,)|
Show InChI InChI=1S/C24H29NO3/c1-3-7-20(8-4-1)24(21-9-5-2-6-10-21)18-26-16-22(28-24)17-27-23-15-25-13-11-19(23)12-14-25/h1-10,19,22-23H,11-18H2/t22-,23-/m0/s1
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355n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from recombinant human muscarinic M2 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting meth...


Eur J Med Chem 137: 327-337 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.004
BindingDB Entry DOI: 10.7270/Q2VT1VMF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50270745
PNG
(CHEMBL4127373)
Show SMILES C[C@@]1(COCC(O1)(c1ccccc1)c1ccccc1)C(=O)O[C@H]1CN2CCC1CC2 |r,wU:1.0,wD:22.24,(27.76,-18.67,;26.43,-19.45,;26.43,-17.91,;25.1,-17.14,;23.77,-17.91,;23.74,-19.44,;25.1,-20.21,;22.41,-18.67,;22.41,-17.13,;21.08,-16.36,;19.74,-17.13,;19.75,-18.68,;21.09,-19.44,;22.97,-20.78,;21.43,-20.77,;20.66,-22.1,;21.44,-23.44,;22.99,-23.43,;23.75,-22.1,;27.76,-20.21,;27.76,-21.76,;29.1,-19.46,;30.43,-20.23,;30.41,-21.77,;31.74,-22.54,;33.07,-21.78,;33.08,-20.24,;31.75,-19.46,;31.03,-20.83,;32.3,-21.44,)|
Show InChI InChI=1S/C25H29NO4/c1-24(23(27)29-22-16-26-14-12-19(22)13-15-26)17-28-18-25(30-24,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,19,22H,12-18H2,1H3/t22-,24+/m0/s1
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363n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from recombinant human muscarinic M5 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting meth...


Eur J Med Chem 137: 327-337 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.004
BindingDB Entry DOI: 10.7270/Q2VT1VMF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50270740
PNG
(CHEMBL4128667)
Show SMILES O=C(O[C@H]1CN2CCC1CC2)[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r,wU:11.12,wD:3.2,(41.47,-7.76,;41.47,-6.22,;42.8,-5.45,;44.13,-6.22,;44.12,-7.76,;45.44,-8.53,;46.78,-7.77,;46.79,-6.23,;45.46,-5.45,;44.73,-6.83,;46.01,-7.43,;40.14,-5.45,;40.13,-3.91,;38.81,-3.13,;37.48,-3.91,;37.45,-5.43,;38.81,-6.21,;36.12,-4.66,;36.12,-3.12,;34.79,-2.35,;33.45,-3.13,;33.46,-4.68,;34.79,-5.44,;36.68,-6.77,;35.14,-6.76,;34.37,-8.1,;35.15,-9.43,;36.7,-9.42,;37.46,-8.09,)|
Show InChI InChI=1S/C24H27NO4/c26-23(28-21-15-25-13-11-18(21)12-14-25)22-16-27-17-24(29-22,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,18,21-22H,11-17H2/t21-,22-/m0/s1
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380n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from recombinant human muscarinic M1 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting meth...


Eur J Med Chem 137: 327-337 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.004
BindingDB Entry DOI: 10.7270/Q2VT1VMF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50270745
PNG
(CHEMBL4127373)
Show SMILES C[C@@]1(COCC(O1)(c1ccccc1)c1ccccc1)C(=O)O[C@H]1CN2CCC1CC2 |r,wU:1.0,wD:22.24,(27.76,-18.67,;26.43,-19.45,;26.43,-17.91,;25.1,-17.14,;23.77,-17.91,;23.74,-19.44,;25.1,-20.21,;22.41,-18.67,;22.41,-17.13,;21.08,-16.36,;19.74,-17.13,;19.75,-18.68,;21.09,-19.44,;22.97,-20.78,;21.43,-20.77,;20.66,-22.1,;21.44,-23.44,;22.99,-23.43,;23.75,-22.1,;27.76,-20.21,;27.76,-21.76,;29.1,-19.46,;30.43,-20.23,;30.41,-21.77,;31.74,-22.54,;33.07,-21.78,;33.08,-20.24,;31.75,-19.46,;31.03,-20.83,;32.3,-21.44,)|
Show InChI InChI=1S/C25H29NO4/c1-24(23(27)29-22-16-26-14-12-19(22)13-15-26)17-28-18-25(30-24,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,19,22H,12-18H2,1H3/t22-,24+/m0/s1
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398n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from recombinant human muscarinic M3 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting meth...


Eur J Med Chem 137: 327-337 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.004
BindingDB Entry DOI: 10.7270/Q2VT1VMF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50270741
PNG
(CHEMBL4127428)
Show SMILES C[C@]1(COCC(O1)(c1ccccc1)c1ccccc1)C(=O)O[C@H]1CN2CCC1CC2 |r,wU:1.21,wD:22.24,(42.31,-18.39,;40.98,-19.16,;40.98,-17.63,;39.65,-16.85,;38.32,-17.63,;38.29,-19.15,;39.65,-19.93,;36.96,-18.38,;36.96,-16.84,;35.63,-16.07,;34.29,-16.85,;34.3,-18.4,;35.64,-19.16,;37.52,-20.49,;35.98,-20.48,;35.21,-21.81,;35.99,-23.15,;37.54,-23.14,;38.3,-21.81,;42.31,-19.93,;42.31,-21.48,;43.64,-19.17,;44.98,-19.94,;44.96,-21.48,;46.29,-22.25,;47.62,-21.49,;47.63,-19.95,;46.3,-19.17,;45.58,-20.55,;46.85,-21.15,)|
Show InChI InChI=1S/C25H29NO4/c1-24(23(27)29-22-16-26-14-12-19(22)13-15-26)17-28-18-25(30-24,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,19,22H,12-18H2,1H3/t22-,24-/m0/s1
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417n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from recombinant human muscarinic M3 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting meth...


Eur J Med Chem 137: 327-337 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.004
BindingDB Entry DOI: 10.7270/Q2VT1VMF
More data for this
Ligand-Target Pair
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