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Compile Data Set for Download or QSAR

Found 764 hits with Last Name = 'vinson' and Initial = 'pn'   
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 M5


(RAT)
BDBM50605085
PNG
(CHEMBL5204021)
Show SMILES Cn1ccnc1SC[C@H]1CCN(C[C@@H]1F)S(=O)(=O)c1ccc2OCCc2c1 |r|
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68n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00192
BindingDB Entry DOI: 10.7270/Q23N27HG
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50392432
PNG
(CHEMBL2151817)
Show SMILES C[C@@H](NC(=O)c1ccc(OCc2cccc(F)c2)nc1)C(C)(C)C |r|
Show InChI InChI=1S/C19H23FN2O2/c1-13(19(2,3)4)22-18(23)15-8-9-17(21-11-15)24-12-14-6-5-7-16(20)10-14/h5-11,13H,12H2,1-4H3,(H,22,23)/t13-/m1/s1
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153n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in human HEK293 cells after 1 hr by scintillation counter


Bioorg Med Chem Lett 22: 6481-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.043
BindingDB Entry DOI: 10.7270/Q2KD200S
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50337958
PNG
(CHEMBL1684242 | N-cyclobutyl-6-((3-fluorophenyl)et...)
Show SMILES Fc1cccc(c1)C#Cc1ccc(cn1)C(=O)NC1CCC1
Show InChI InChI=1S/C18H15FN2O/c19-15-4-1-3-13(11-15)7-9-16-10-8-14(12-20-16)18(22)21-17-5-2-6-17/h1,3-4,8,10-12,17H,2,5-6H2,(H,21,22)
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195n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in human HEK293 cells after 1 hr by scintillation counter


Bioorg Med Chem Lett 22: 6481-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.043
BindingDB Entry DOI: 10.7270/Q2KD200S
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50339075
PNG
(Adamantan-1-yl-(4-pyridin-2-yl-piperazin-1-yl)-met...)
Show SMILES O=C(N1CCN(CC1)c1nccs1)C12CC3CC(CC(C3)C1)C2 |TLB:16:17:14.15.20:21,THB:16:15:21:22.17.18,18:17:14:20.19.21,18:19:14:22.16.17|
Show InChI InChI=1S/C18H25N3OS/c22-16(18-10-13-7-14(11-18)9-15(8-13)12-18)20-2-4-21(5-3-20)17-19-1-6-23-17/h1,6,13-15H,2-5,7-12H2
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440n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Negative allosteric modulation at rat mGluR5 receptor


ACS Med Chem Lett 1: 433-438 (2010)


Article DOI: 10.1021/ml100181a
BindingDB Entry DOI: 10.7270/Q2DJ5FX7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50426242
PNG
(CHEMBL2312346)
Show SMILES COc1ccc(CCOC(=O)C2=C(CCN(C)C2)c2ccccc2)cc1OC |t:11|
Show InChI InChI=1S/C23H27NO4/c1-24-13-11-19(18-7-5-4-6-8-18)20(16-24)23(25)28-14-12-17-9-10-21(26-2)22(15-17)27-3/h4-10,15H,11-14,16H2,1-3H3
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2.24E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00192
BindingDB Entry DOI: 10.7270/Q23N27HG
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50402788
PNG
(CHEMBL2208408)
Show SMILES CS(=O)(=O)N(CC(=O)Nc1ccccc1)c1ccccc1Cl
Show InChI InChI=1S/C15H15ClN2O3S/c1-22(20,21)18(14-10-6-5-9-13(14)16)11-15(19)17-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,17,19)
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-methoxyPEPy from rat mGlu5 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis


Bioorg Med Chem Lett 22: 7388-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.068
BindingDB Entry DOI: 10.7270/Q2H996BR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM44464
PNG
(2-(2-chloro-N-mesyl-anilino)-N-(3-chlorophenyl)ace...)
Show SMILES CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1)c1ccccc1Cl
Show InChI InChI=1S/C15H14Cl2N2O3S/c1-23(21,22)19(14-8-3-2-7-13(14)17)10-15(20)18-12-6-4-5-11(16)9-12/h2-9H,10H2,1H3,(H,18,20)
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-methoxyPEPy from rat mGlu5 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis


Bioorg Med Chem Lett 22: 7388-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.068
BindingDB Entry DOI: 10.7270/Q2H996BR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50426242
PNG
(CHEMBL2312346)
Show SMILES COc1ccc(CCOC(=O)C2=C(CCN(C)C2)c2ccccc2)cc1OC |t:11|
Show InChI InChI=1S/C23H27NO4/c1-24-13-11-19(18-7-5-4-6-8-18)20(16-24)23(25)28-14-12-17-9-10-21(26-2)22(15-17)27-3/h4-10,15H,11-14,16H2,1-3H3
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00192
BindingDB Entry DOI: 10.7270/Q23N27HG
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50402787
PNG
(CHEMBL2208405)
Show SMILES CS(=O)(=O)N(CC(=O)NCC1CC1)c1cc(ccc1Cl)C(F)(F)F
Show InChI InChI=1S/C14H16ClF3N2O3S/c1-24(22,23)20(8-13(21)19-7-9-2-3-9)12-6-10(14(16,17)18)4-5-11(12)15/h4-6,9H,2-3,7-8H2,1H3,(H,19,21)
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>3.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-methoxyPEPy from rat mGlu5 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis


Bioorg Med Chem Lett 22: 7388-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.068
BindingDB Entry DOI: 10.7270/Q2H996BR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50392425
PNG
(CHEMBL2151790)
Show SMILES CCCCOc1ccc(cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C17H17F2NO2/c1-2-3-10-22-14-7-4-12(5-8-14)17(21)20-16-9-6-13(18)11-15(16)19/h4-9,11H,2-3,10H2,1H3,(H,20,21)
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>1.00E+5n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in human HEK293 cells after 1 hr by scintillation counter


Bioorg Med Chem Lett 22: 6481-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.043
BindingDB Entry DOI: 10.7270/Q2KD200S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50426242
PNG
(CHEMBL2312346)
Show SMILES COc1ccc(CCOC(=O)C2=C(CCN(C)C2)c2ccccc2)cc1OC |t:11|
Show InChI InChI=1S/C23H27NO4/c1-24-13-11-19(18-7-5-4-6-8-18)20(16-24)23(25)28-14-12-17-9-10-21(26-2)22(15-17)27-3/h4-10,15H,11-14,16H2,1-3H3
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00192
BindingDB Entry DOI: 10.7270/Q23N27HG
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50426242
PNG
(CHEMBL2312346)
Show SMILES COc1ccc(CCOC(=O)C2=C(CCN(C)C2)c2ccccc2)cc1OC |t:11|
Show InChI InChI=1S/C23H27NO4/c1-24-13-11-19(18-7-5-4-6-8-18)20(16-24)23(25)28-14-12-17-9-10-21(26-2)22(15-17)27-3/h4-10,15H,11-14,16H2,1-3H3
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00192
BindingDB Entry DOI: 10.7270/Q23N27HG
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50426242
PNG
(CHEMBL2312346)
Show SMILES COc1ccc(CCOC(=O)C2=C(CCN(C)C2)c2ccccc2)cc1OC |t:11|
Show InChI InChI=1S/C23H27NO4/c1-24-13-11-19(18-7-5-4-6-8-18)20(16-24)23(25)28-14-12-17-9-10-21(26-2)22(15-17)27-3/h4-10,15H,11-14,16H2,1-3H3
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00192
BindingDB Entry DOI: 10.7270/Q23N27HG
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50605085
PNG
(CHEMBL5204021)
Show SMILES Cn1ccnc1SC[C@H]1CCN(C[C@@H]1F)S(=O)(=O)c1ccc2OCCc2c1 |r|
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n/an/a 2.20n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00192
BindingDB Entry DOI: 10.7270/Q23N27HG
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50606933
PNG
(CHEMBL5218711)
Show SMILES Cn1ncc(c1Cl)S(=O)(=O)N1CC[C@@H]([C@@H](F)C1)C(=O)Nc1ccc2scnc2c1 |r|
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n/an/a 10n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128988
BindingDB Entry DOI: 10.7270/Q2DJ5KRN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50606934
PNG
(CHEMBL5218449)
Show SMILES Cc1ncc(s1)S(=O)(=O)N1CC[C@@H]([C@@H](F)C1)C(=O)Nc1ccc2scnc2c1 |r|
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n/an/a 13n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128988
BindingDB Entry DOI: 10.7270/Q2DJ5KRN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50609398
PNG
(CHEMBL5270452)
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n/an/a 21n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50609399
PNG
(CHEMBL5274311)
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n/an/a 35n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50605085
PNG
(CHEMBL5204021)
Show SMILES Cn1ccnc1SC[C@H]1CCN(C[C@@H]1F)S(=O)(=O)c1ccc2OCCc2c1 |r|
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n/an/a 35n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00192
BindingDB Entry DOI: 10.7270/Q23N27HG
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50609398
PNG
(CHEMBL5270452)
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50605085
PNG
(CHEMBL5204021)
Show SMILES Cn1ccnc1SC[C@H]1CCN(C[C@@H]1F)S(=O)(=O)c1ccc2OCCc2c1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00192
BindingDB Entry DOI: 10.7270/Q23N27HG
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50605085
PNG
(CHEMBL5204021)
Show SMILES Cn1ccnc1SC[C@H]1CCN(C[C@@H]1F)S(=O)(=O)c1ccc2OCCc2c1 |r|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128988
BindingDB Entry DOI: 10.7270/Q2DJ5KRN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50609395
PNG
(CHEMBL5277011)
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Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50606941
PNG
(CHEMBL5219163)
Show SMILES O=C(Nc1ccc2scnc2c1)C1CCN(CC1)S(=O)(=O)c1cccnc1
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128988
BindingDB Entry DOI: 10.7270/Q2DJ5KRN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50609400
PNG
(CHEMBL5274220)
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n/an/a 87n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50605074
PNG
(CHEMBL5188559)
Show SMILES Cc1cnc(SCC2CCN(CC2)S(=O)(=O)c2ccc3OCCc3c2)n1C
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00192
BindingDB Entry DOI: 10.7270/Q23N27HG
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50605067
PNG
(CHEMBL5179833)
Show SMILES Cn1ccnc1SCC1CCN(CC1)S(=O)(=O)c1ccc2OCCc2c1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00192
BindingDB Entry DOI: 10.7270/Q23N27HG
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50605067
PNG
(CHEMBL5179833)
Show SMILES Cn1ccnc1SCC1CCN(CC1)S(=O)(=O)c1ccc2OCCc2c1
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n/an/a 93n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00192
BindingDB Entry DOI: 10.7270/Q23N27HG
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50605074
PNG
(CHEMBL5188559)
Show SMILES Cc1cnc(SCC2CCN(CC2)S(=O)(=O)c2ccc3OCCc3c2)n1C
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00192
BindingDB Entry DOI: 10.7270/Q23N27HG
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50606929
PNG
(CHEMBL5218587)
Show SMILES C[C@@H]1C[C@H](CCN1S(=O)(=O)c1ccc2OCCc2c1)C(=O)Nc1ccc2scnc2c1 |r|
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Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128988
BindingDB Entry DOI: 10.7270/Q2DJ5KRN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50606940
PNG
(CHEMBL5218928)
Show SMILES Cc1ccc(cn1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc2scnc2c1
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Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128988
BindingDB Entry DOI: 10.7270/Q2DJ5KRN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50606930
PNG
(CHEMBL5218597)
Show SMILES CC1COc2ccc(cc12)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc2scnc2c1
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Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128988
BindingDB Entry DOI: 10.7270/Q2DJ5KRN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50606933
PNG
(CHEMBL5218711)
Show SMILES Cn1ncc(c1Cl)S(=O)(=O)N1CC[C@@H]([C@@H](F)C1)C(=O)Nc1ccc2scnc2c1 |r|
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Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128988
BindingDB Entry DOI: 10.7270/Q2DJ5KRN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50606944
PNG
(CHEMBL5219691)
Show SMILES O=C(Nc1ccc2scnc2c1)C1CCN(CC1)S(=O)(=O)c1ccc2OCCc2c1
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Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128988
BindingDB Entry DOI: 10.7270/Q2DJ5KRN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50606944
PNG
(CHEMBL5219691)
Show SMILES O=C(Nc1ccc2scnc2c1)C1CCN(CC1)S(=O)(=O)c1ccc2OCCc2c1
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Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50605073
PNG
(CHEMBL5172903)
Show SMILES CCn1ccnc1SCC1CCN(CC1)S(=O)(=O)c1ccc2OCCc2c1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00192
BindingDB Entry DOI: 10.7270/Q23N27HG
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50605073
PNG
(CHEMBL5172903)
Show SMILES CCn1ccnc1SCC1CCN(CC1)S(=O)(=O)c1ccc2OCCc2c1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00192
BindingDB Entry DOI: 10.7270/Q23N27HG
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(RAT)
BDBM50605085
PNG
(CHEMBL5204021)
Show SMILES Cn1ccnc1SC[C@H]1CCN(C[C@@H]1F)S(=O)(=O)c1ccc2OCCc2c1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00192
BindingDB Entry DOI: 10.7270/Q23N27HG
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50606928
PNG
(CHEMBL5220906)
Show SMILES C[C@@H]1C[C@@H](CCN1S(=O)(=O)c1ccc2OCCc2c1)C(=O)Nc1ccc2scnc2c1 |r|
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Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128988
BindingDB Entry DOI: 10.7270/Q2DJ5KRN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50606936
PNG
(CHEMBL5218709)
Show SMILES O=C(Nc1ccc2snnc2c1)C1CCN(CC1)S(=O)(=O)c1ccc2OCCc2c1
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Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128988
BindingDB Entry DOI: 10.7270/Q2DJ5KRN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50605077
PNG
(CHEMBL5209198)
Show SMILES CC(Sc1nccn1C)C1CCN(CC1)S(=O)(=O)c1ccc2OCCc2c1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00192
BindingDB Entry DOI: 10.7270/Q23N27HG
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50605077
PNG
(CHEMBL5209198)
Show SMILES CC(Sc1nccn1C)C1CCN(CC1)S(=O)(=O)c1ccc2OCCc2c1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00192
BindingDB Entry DOI: 10.7270/Q23N27HG
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50606939
PNG
(CHEMBL5219539)
Show SMILES Clc1ccc(cn1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc2scnc2c1
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Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128988
BindingDB Entry DOI: 10.7270/Q2DJ5KRN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50337959
PNG
(2-((3-fluorophenyl)ethynyl)-6-methyl-7,8-dihydro-1...)
Show SMILES CN1CCc2nc(ccc2C1=O)C#Cc1cccc(F)c1
Show InChI InChI=1S/C17H13FN2O/c1-20-10-9-16-15(17(20)21)8-7-14(19-16)6-5-12-3-2-4-13(18)11-12/h2-4,7-8,11H,9-10H2,1H3
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Vanderbilt Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity against mGlu5 receptor assessed as inhibition of calcium mobilization


Bioorg Med Chem Lett 21: 1350-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.044
BindingDB Entry DOI: 10.7270/Q24B31MX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(RAT)
BDBM50609400
PNG
(CHEMBL5274220)
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Citation and Details
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50401091
PNG
(CHEMBL2204436 | CHEMBL2385894)
Show SMILES Clc1ccc(CN[C@H]2CCN(C2)c2ncc(Br)cn2)c(Cl)c1 |r|
Show InChI InChI=1S/C15H15BrCl2N4/c16-11-7-20-15(21-8-11)22-4-3-13(9-22)19-6-10-1-2-12(17)5-14(10)18/h1-2,5,7-8,13,19H,3-4,6,9H2/t13-/m0/s1
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGlu3 expressed in AV-12 cells in presence of glutamate EC90 concentration by FLIPR assay


Bioorg Med Chem Lett 22: 3921-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.112
BindingDB Entry DOI: 10.7270/Q21N828X
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50605080
PNG
(CHEMBL5174465)
Show SMILES Cn1ccnc1C#CC1CCN(CC1)S(=O)(=O)c1ccc2OCCc2c1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00192
BindingDB Entry DOI: 10.7270/Q23N27HG
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50605075
PNG
(CHEMBL5196183)
Show SMILES Cc1cn(C)c(SCC2CCN(CC2)S(=O)(=O)c2ccc3OCCc3c2)n1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00192
BindingDB Entry DOI: 10.7270/Q23N27HG
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50605080
PNG
(CHEMBL5174465)
Show SMILES Cn1ccnc1C#CC1CCN(CC1)S(=O)(=O)c1ccc2OCCc2c1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00192
BindingDB Entry DOI: 10.7270/Q23N27HG
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50605075
PNG
(CHEMBL5196183)
Show SMILES Cc1cn(C)c(SCC2CCN(CC2)S(=O)(=O)c2ccc3OCCc3c2)n1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00192
BindingDB Entry DOI: 10.7270/Q23N27HG
More data for this
Ligand-Target Pair
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