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Compile Data Set for Download or QSAR

Found 2058 hits with Last Name = 'bridges' and Initial = 'tm'   
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 M4


(RAT)
BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4|
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
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0.560n/an/an/an/an/an/an/an/a



Vanderbilt Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from rat muscarinic M4 receptor expressed in CHO cells


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/M5 chimeric protein


(Homo sapiens (Human))
BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4|
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
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1.5n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic acetylcholine receptor subtype 5 expressed in CHO cell membranes by scintillation counting method


J Med Chem 57: 7804-10 (2014)


Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50240552
PNG
(CHEMBL195)
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1.60n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2479-2483 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H
More data for this
Ligand-Target Pair
CHRM5


(RAT)
BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4|
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
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1.80n/an/an/an/an/an/an/an/a



Vanderbilt Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from rat muscarinic M5 receptor expressed in CHO cells


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 M4


(Homo sapiens (Human))
BDBM50240548
PNG
(CHEMBL4059829)
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10n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2479-2483 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50231845
PNG
(CHEMBL255523 | N-(3-chloro-4-(4-ethylpiperazin-1-y...)
Show SMILES CCN1CCN(CC1)c1ccc(NC(=O)CCC2CCCC2)cc1Cl
Show InChI InChI=1S/C20H30ClN3O/c1-2-23-11-13-24(14-12-23)19-9-8-17(15-18(19)21)22-20(25)10-7-16-5-3-4-6-16/h8-9,15-16H,2-7,10-14H2,1H3,(H,22,25)
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12.7n/an/an/an/an/an/an/an/a



Vanderbilt Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from rat muscarinic M1 receptor expressed in CHO cells


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)
BDBM50231845
PNG
(CHEMBL255523 | N-(3-chloro-4-(4-ethylpiperazin-1-y...)
Show SMILES CCN1CCN(CC1)c1ccc(NC(=O)CCC2CCCC2)cc1Cl
Show InChI InChI=1S/C20H30ClN3O/c1-2-23-11-13-24(14-12-23)19-9-8-17(15-18(19)21)22-20(25)10-7-16-5-3-4-6-16/h8-9,15-16H,2-7,10-14H2,1H3,(H,22,25)
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74.8n/an/an/an/an/an/an/an/a



Vanderbilt Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from rat muscarinic M3 receptor expressed in CHO cells


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
CHRM5


(RAT)
BDBM50231845
PNG
(CHEMBL255523 | N-(3-chloro-4-(4-ethylpiperazin-1-y...)
Show SMILES CCN1CCN(CC1)c1ccc(NC(=O)CCC2CCCC2)cc1Cl
Show InChI InChI=1S/C20H30ClN3O/c1-2-23-11-13-24(14-12-23)19-9-8-17(15-18(19)21)22-20(25)10-7-16-5-3-4-6-16/h8-9,15-16H,2-7,10-14H2,1H3,(H,22,25)
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85.7n/an/an/an/an/an/an/an/a



Vanderbilt Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from rat muscarinic M5 receptor expressed in CHO cells


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/M5 chimeric protein


(Homo sapiens (Human))
BDBM50258656
PNG
(1-(4-methoxybenzyl)-5-(trifluoromethoxy)indoline-2...)
Show SMILES COc1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1
Show InChI InChI=1S/C17H12F3NO4/c1-24-11-4-2-10(3-5-11)9-21-14-7-6-12(25-17(18,19)20)8-13(14)15(22)16(21)23/h2-8H,9H2,1H3
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159n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M5 receptor expressed in CHO cells coexpressing Gq protein by scintillation counting in presence of ace...


J Med Chem 52: 3445-8 (2009)


Article DOI: 10.1021/jm900286j
BindingDB Entry DOI: 10.7270/Q23B601Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50231845
PNG
(CHEMBL255523 | N-(3-chloro-4-(4-ethylpiperazin-1-y...)
Show SMILES CCN1CCN(CC1)c1ccc(NC(=O)CCC2CCCC2)cc1Cl
Show InChI InChI=1S/C20H30ClN3O/c1-2-23-11-13-24(14-12-23)19-9-8-17(15-18(19)21)22-20(25)10-7-16-5-3-4-6-16/h8-9,15-16H,2-7,10-14H2,1H3,(H,22,25)
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338n/an/an/an/an/an/an/an/a



Vanderbilt Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from rat muscarinic M2 receptor expressed in CHO cells


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 M4


(RAT)
BDBM50231845
PNG
(CHEMBL255523 | N-(3-chloro-4-(4-ethylpiperazin-1-y...)
Show SMILES CCN1CCN(CC1)c1ccc(NC(=O)CCC2CCCC2)cc1Cl
Show InChI InChI=1S/C20H30ClN3O/c1-2-23-11-13-24(14-12-23)19-9-8-17(15-18(19)21)22-20(25)10-7-16-5-3-4-6-16/h8-9,15-16H,2-7,10-14H2,1H3,(H,22,25)
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445n/an/an/an/an/an/an/an/a



Vanderbilt Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from rat muscarinic M4 receptor expressed in CHO cells


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/M5 chimeric protein


(Homo sapiens (Human))
BDBM50258656
PNG
(1-(4-methoxybenzyl)-5-(trifluoromethoxy)indoline-2...)
Show SMILES COc1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1
Show InChI InChI=1S/C17H12F3NO4/c1-24-11-4-2-10(3-5-11)9-21-14-7-6-12(25-17(18,19)20)8-13(14)15(22)16(21)23/h2-8H,9H2,1H3
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1.61E+3n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M5 receptor expressed in CHO cells coexpressing Gq protein by scintillation counting


J Med Chem 52: 3445-8 (2009)


Article DOI: 10.1021/jm900286j
BindingDB Entry DOI: 10.7270/Q23B601Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50395966
PNG
(CHEMBL2164905)
Show SMILES CN1CCN(CC1)C(=O)[C@@](F)(Cc1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C20H23FN2O/c1-22-12-14-23(15-13-22)19(24)20(21,18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11H,12-16H2,1H3/t20-/m1/s1
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n/an/a 17.8n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 6923-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.011
BindingDB Entry DOI: 10.7270/Q2348MH4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50395966
PNG
(CHEMBL2164905)
Show SMILES CN1CCN(CC1)C(=O)[C@@](F)(Cc1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C20H23FN2O/c1-22-12-14-23(15-13-22)19(24)20(21,18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11H,12-16H2,1H3/t20-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 6923-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.011
BindingDB Entry DOI: 10.7270/Q2348MH4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50442525
PNG
(CHEMBL2440659 | US8796295, Table 2: Compound: 1)
Show SMILES Cc1csc(NC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1
Show InChI InChI=1S/C15H11FN4O2S/c1-9-7-23-15(19-9)20-14(21)10-2-11(16)4-12(3-10)22-13-5-17-8-18-6-13/h2-8H,1H3,(H,19,20,21)
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n/an/a 26n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of mGluR5 (unknown origin)


Drug Metab Dispos 40: 1834-45 (2012)


Article DOI: 10.1124/dmd.112.046136
BindingDB Entry DOI: 10.7270/Q26H4K3J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50395965
PNG
(CHEMBL2164910)
Show SMILES CN1CCN(CC1)C(=O)C(F)(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H23FN2O/c1-22-12-14-23(15-13-22)19(24)20(21,18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11H,12-16H2,1H3
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n/an/a 29n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 6923-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.011
BindingDB Entry DOI: 10.7270/Q2348MH4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50396000
PNG
(CHEMBL2164906)
Show SMILES CN1CCN(CC1)C(=O)[C@H](Cc1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C20H24N2O/c1-21-12-14-22(15-13-21)20(23)19(18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3/t19-/m1/s1
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n/an/a 33n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 6923-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.011
BindingDB Entry DOI: 10.7270/Q2348MH4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50395973
PNG
(CHEMBL2164895)
Show SMILES CCN1CCCN(CC1)C(=O)C(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H28N2O/c1-2-23-14-9-15-24(17-16-23)22(25)21(20-12-7-4-8-13-20)18-19-10-5-3-6-11-19/h3-8,10-13,21H,2,9,14-18H2,1H3
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n/an/a 37.1n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 6923-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.011
BindingDB Entry DOI: 10.7270/Q2348MH4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50395973
PNG
(CHEMBL2164895)
Show SMILES CCN1CCCN(CC1)C(=O)C(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H28N2O/c1-2-23-14-9-15-24(17-16-23)22(25)21(20-12-7-4-8-13-20)18-19-10-5-3-6-11-19/h3-8,10-13,21H,2,9,14-18H2,1H3
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n/an/a 38n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 6923-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.011
BindingDB Entry DOI: 10.7270/Q2348MH4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50395983
PNG
(CHEMBL2164911)
Show SMILES CN1CCN(CC1)C(=O)C(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H24N2O/c1-21-12-14-22(15-13-21)20(23)19(18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3
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n/an/a 43.6n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 6923-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.011
BindingDB Entry DOI: 10.7270/Q2348MH4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50395983
PNG
(CHEMBL2164911)
Show SMILES CN1CCN(CC1)C(=O)C(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H24N2O/c1-21-12-14-22(15-13-21)20(23)19(18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3
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n/an/a 44n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 6923-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.011
BindingDB Entry DOI: 10.7270/Q2348MH4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50240536
PNG
(CHEMBL4088103)
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n/an/a 78n/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2479-2483 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50240536
PNG
(CHEMBL4088103)
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n/an/a 80n/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2479-2483 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50395966
PNG
(CHEMBL2164905)
Show SMILES CN1CCN(CC1)C(=O)[C@@](F)(Cc1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C20H23FN2O/c1-22-12-14-23(15-13-22)19(24)20(21,18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11H,12-16H2,1H3/t20-/m1/s1
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n/an/a 82n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M5 receptor by calcium mobilization assay


Bioorg Med Chem Lett 22: 6923-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.011
BindingDB Entry DOI: 10.7270/Q2348MH4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50395978
PNG
(CHEMBL2164918)
Show SMILES CCN1CCN(CC1(C)C)C(=O)C(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H30N2O/c1-4-25-16-15-24(18-23(25,2)3)22(26)21(20-13-9-6-10-14-20)17-19-11-7-5-8-12-19/h5-14,21H,4,15-18H2,1-3H3
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n/an/a 89.1n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 6923-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.011
BindingDB Entry DOI: 10.7270/Q2348MH4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50395978
PNG
(CHEMBL2164918)
Show SMILES CCN1CCN(CC1(C)C)C(=O)C(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H30N2O/c1-4-25-16-15-24(18-23(25,2)3)22(26)21(20-13-9-6-10-14-20)17-19-11-7-5-8-12-19/h5-14,21H,4,15-18H2,1-3H3
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n/an/a 90n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 6923-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.011
BindingDB Entry DOI: 10.7270/Q2348MH4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50395974
PNG
(CHEMBL2164894)
Show SMILES CN1CCCN(CC1)C(=O)C(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H26N2O/c1-22-13-8-14-23(16-15-22)21(24)20(19-11-6-3-7-12-19)17-18-9-4-2-5-10-18/h2-7,9-12,20H,8,13-17H2,1H3
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n/an/a 95.5n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 6923-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.011
BindingDB Entry DOI: 10.7270/Q2348MH4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50395980
PNG
(CHEMBL2164916)
Show SMILES CC1CN(CCN1C)C(=O)C(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H26N2O/c1-17-16-23(14-13-22(17)2)21(24)20(19-11-7-4-8-12-19)15-18-9-5-3-6-10-18/h3-12,17,20H,13-16H2,1-2H3
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n/an/a 100n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 6923-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.011
BindingDB Entry DOI: 10.7270/Q2348MH4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50240548
PNG
(CHEMBL4059829)
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Vanderbilt University School of Medicine

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2479-2483 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50395974
PNG
(CHEMBL2164894)
Show SMILES CN1CCCN(CC1)C(=O)C(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H26N2O/c1-22-13-8-14-23(16-15-22)21(24)20(19-11-6-3-7-12-19)17-18-9-4-2-5-10-18/h2-7,9-12,20H,8,13-17H2,1H3
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 6923-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.011
BindingDB Entry DOI: 10.7270/Q2348MH4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50240548
PNG
(CHEMBL4059829)
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Vanderbilt University School of Medicine

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2479-2483 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50395972
PNG
(CHEMBL2164896)
Show SMILES CC(C)N1CCCN(CC1)C(=O)C(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H30N2O/c1-19(2)24-14-9-15-25(17-16-24)23(26)22(21-12-7-4-8-13-21)18-20-10-5-3-6-11-20/h3-8,10-13,19,22H,9,14-18H2,1-2H3
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 6923-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.011
BindingDB Entry DOI: 10.7270/Q2348MH4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50395972
PNG
(CHEMBL2164896)
Show SMILES CC(C)N1CCCN(CC1)C(=O)C(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H30N2O/c1-19(2)24-14-9-15-25(17-16-24)23(26)22(21-12-7-4-8-13-21)18-20-10-5-3-6-11-20/h3-8,10-13,19,22H,9,14-18H2,1-2H3
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n/an/a 105n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 6923-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.011
BindingDB Entry DOI: 10.7270/Q2348MH4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50395980
PNG
(CHEMBL2164916)
Show SMILES CC1CN(CCN1C)C(=O)C(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H26N2O/c1-17-16-23(14-13-22(17)2)21(24)20(19-11-7-4-8-12-19)15-18-9-5-3-6-10-18/h3-12,17,20H,13-16H2,1-2H3
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n/an/a 105n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 6923-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.011
BindingDB Entry DOI: 10.7270/Q2348MH4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50387763
PNG
(CHEMBL2057775)
Show SMILES Cc1cc(ccn1)N1CCN(CC1)C(=O)C1CN(C1)S(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C23H25N5O3S/c1-17-13-20(5-8-25-17)26-9-11-27(12-10-26)23(29)19-15-28(16-19)32(30,31)22-4-2-3-18-14-24-7-6-21(18)22/h2-8,13-14,19H,9-12,15-16H2,1H3
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n/an/a 107n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...


Bioorg Med Chem Lett 22: 5035-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.018
BindingDB Entry DOI: 10.7270/Q2KW5H39
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50387762
PNG
(CHEMBL2057513)
Show SMILES O=C(C1CN(C1)S(=O)(=O)c1cccc2cnccc12)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C22H23N5O3S/c28-22(26-12-10-25(11-13-26)19-4-7-23-8-5-19)18-15-27(16-18)31(29,30)21-3-1-2-17-14-24-9-6-20(17)21/h1-9,14,18H,10-13,15-16H2
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...


Bioorg Med Chem Lett 22: 5035-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.018
BindingDB Entry DOI: 10.7270/Q2KW5H39
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50387763
PNG
(CHEMBL2057775)
Show SMILES Cc1cc(ccn1)N1CCN(CC1)C(=O)C1CN(C1)S(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C23H25N5O3S/c1-17-13-20(5-8-25-17)26-9-11-27(12-10-26)23(29)19-15-28(16-19)32(30,31)22-4-2-3-18-14-24-7-6-21(18)22/h2-8,13-14,19H,9-12,15-16H2,1H3
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...


Bioorg Med Chem Lett 22: 5035-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.018
BindingDB Entry DOI: 10.7270/Q2KW5H39
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50387762
PNG
(CHEMBL2057513)
Show SMILES O=C(C1CN(C1)S(=O)(=O)c1cccc2cnccc12)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C22H23N5O3S/c28-22(26-12-10-25(11-13-26)19-4-7-23-8-5-19)18-15-27(16-18)31(29,30)21-3-1-2-17-14-24-9-6-20(17)21/h1-9,14,18H,10-13,15-16H2
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...


Bioorg Med Chem Lett 22: 5035-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.018
BindingDB Entry DOI: 10.7270/Q2KW5H39
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50240539
PNG
(CHEMBL4103428)
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n/an/a 117n/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2479-2483 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50240533
PNG
(CHEMBL4096143)
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n/an/a 123n/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2479-2483 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50387764
PNG
(CHEMBL2057512)
Show SMILES O=C(C1CN(C1)S(=O)(=O)c1ccc2OCCc2c1)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C21H24N4O4S/c26-21(24-10-8-23(9-11-24)18-3-6-22-7-4-18)17-14-25(15-17)30(27,28)19-1-2-20-16(13-19)5-12-29-20/h1-4,6-7,13,17H,5,8-12,14-15H2
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...


Bioorg Med Chem Lett 22: 5035-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.018
BindingDB Entry DOI: 10.7270/Q2KW5H39
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50240533
PNG
(CHEMBL4096143)
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n/an/a 130n/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2479-2483 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50387764
PNG
(CHEMBL2057512)
Show SMILES O=C(C1CN(C1)S(=O)(=O)c1ccc2OCCc2c1)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C21H24N4O4S/c26-21(24-10-8-23(9-11-24)18-3-6-22-7-4-18)17-14-25(15-17)30(27,28)19-1-2-20-16(13-19)5-12-29-20/h1-4,6-7,13,17H,5,8-12,14-15H2
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...


Bioorg Med Chem Lett 22: 5035-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.018
BindingDB Entry DOI: 10.7270/Q2KW5H39
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50064474
PNG
(CHEMBL3401204)
Show SMILES Fc1ccc(cc1)N1CCc2nc(COc3ccccc3)c(Cl)n2C1=O
Show InChI InChI=1S/C19H15ClFN3O2/c20-18-16(12-26-15-4-2-1-3-5-15)22-17-10-11-23(19(25)24(17)18)14-8-6-13(21)7-9-14/h1-9H,10-12H2
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n/an/a 132n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Negative allosteric modulation at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay


Bioorg Med Chem Lett 25: 1310-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.038
BindingDB Entry DOI: 10.7270/Q2057HNQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50240547
PNG
(CHEMBL4083681)
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Vanderbilt University School of Medicine

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2479-2483 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50395975
PNG
(CHEMBL2164888)
Show SMILES CN(C)CCOC(=O)C(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H23NO2/c1-20(2)13-14-22-19(21)18(17-11-7-4-8-12-17)15-16-9-5-3-6-10-16/h3-12,18H,13-15H2,1-2H3
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 6923-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.011
BindingDB Entry DOI: 10.7270/Q2348MH4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50395975
PNG
(CHEMBL2164888)
Show SMILES CN(C)CCOC(=O)C(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H23NO2/c1-20(2)13-14-22-19(21)18(17-11-7-4-8-12-17)15-16-9-5-3-6-10-16/h3-12,18H,13-15H2,1-2H3
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 6923-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.011
BindingDB Entry DOI: 10.7270/Q2348MH4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50395966
PNG
(CHEMBL2164905)
Show SMILES CN1CCN(CC1)C(=O)[C@@](F)(Cc1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C20H23FN2O/c1-22-12-14-23(15-13-22)19(24)20(21,18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11H,12-16H2,1H3/t20-/m1/s1
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n/an/a 140n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M4 receptor by calcium mobilization assay


Bioorg Med Chem Lett 22: 6923-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.011
BindingDB Entry DOI: 10.7270/Q2348MH4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50240547
PNG
(CHEMBL4083681)
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n/an/a 140n/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2479-2483 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50207516
PNG
(CHEMBL3942511)
Show SMILES Cc1nnc2sc(C(=O)NCc3ccc(cc3)S(F)(F)(F)(F)F)c(N)c2c1C
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n/an/a 150n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [125I]-RTI-55 from recombinant human DAT expressed in CHO-S cells


Bioorg Med Chem Lett 27: 171-175 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.086
BindingDB Entry DOI: 10.7270/Q2WM1GC0
More data for this
Ligand-Target Pair
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