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Compile Data Set for Download or QSAR

Found 1323 hits with Last Name = 'byers' and Initial = 'fw'   
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
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50257064
PNG
(CHEMBL2386850)
Show SMILES Cc1cc(Oc2cncnc2)cc(n1)C(=O)Nc1ccc(F)cn1
Show InChI InChI=1S/C16H12FN5O2/c1-10-4-12(24-13-7-18-9-19-8-13)5-14(21-10)16(23)22-15-3-2-11(17)6-20-15/h2-9H,1H3,(H,20,22,23)
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 4.40n/an/an/an/an/an/an/an/a



Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from rat mGlu5 receptor expressed in HEK293A cell membranes after 1 hr by scintillatio...

J Med Chem 60: 5072-5085 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00410
BindingDB Entry DOI: 10.7270/Q2JH3PM7
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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 6.80n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]3-methoxy-5-(pyridin-2-ylethynyl)pyridine from mGlu5 receptor allosteric binding site (unknown origin)

Bioorg Med Chem Lett 23: 5779-85 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.001
BindingDB Entry DOI: 10.7270/Q2X92CSQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50047700
PNG
(CHEMBL3314850)
Show SMILES Clc1ccnc(c1)C(=O)Nc1cncc(Oc2cncnc2)n1
Show InChI InChI=1S/C14H9ClN6O2/c15-9-1-2-19-11(3-9)14(22)21-12-6-16-7-13(20-12)23-10-4-17-8-18-5-10/h1-8H,(H,20,21,22)
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 37n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGlu5 expressed in HEK293A cells after 1 hr by scintillation counting method

Bioorg Med Chem Lett 24: 3307-14 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.003
BindingDB Entry DOI: 10.7270/Q2ZW1NJP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50257064
PNG
(CHEMBL2386850)
Show SMILES Cc1cc(Oc2cncnc2)cc(n1)C(=O)Nc1ccc(F)cn1
Show InChI InChI=1S/C16H12FN5O2/c1-10-4-12(24-13-7-18-9-19-8-13)5-14(21-10)16(23)22-15-3-2-11(17)6-20-15/h2-9H,1H3,(H,20,22,23)
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 240n/an/an/an/an/an/an/an/a



Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate induced-calcium mobilization prei...

J Med Chem 60: 5072-5085 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00410
BindingDB Entry DOI: 10.7270/Q2JH3PM7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50257087
PNG
(CHEMBL4102569)
Show SMILES Cc1cccnc1C#Cc1ccccc1
Show InChI InChI=1S/C14H11N/c1-12-6-5-11-15-14(12)10-9-13-7-3-2-4-8-13/h2-8,11H,1H3
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 388n/an/an/an/an/an/an/an/a



Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from rat mGlu5 receptor expressed in HEK293A cell membranes after 1 hr by scintillatio...

J Med Chem 60: 5072-5085 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00410
BindingDB Entry DOI: 10.7270/Q2JH3PM7
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM22165
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
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n/an/a 0.710n/an/an/an/an/an/a



Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University, Nashville, TN 37232, USA; Department of Pharmacology, Vanderbilt University, Nashville, TN 37232, USA.

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from recombinant human DAT expressed in CHOK1 cells after 3 hrs by scintillation counting method

Bioorg Med Chem Lett 27: 4858-4866 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.042
BindingDB Entry DOI: 10.7270/Q2V1278Z
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50257058
PNG
(CHEMBL2386849)
Show SMILES Cc1cc(Oc2cncc(F)c2)cc(n1)C(=O)Nc1ccc(F)cn1
Show InChI InChI=1S/C17H12F2N4O2/c1-10-4-13(25-14-5-12(19)7-20-9-14)6-15(22-10)17(24)23-16-3-2-11(18)8-21-16/h2-9H,1H3,(H,21,23,24)
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n/an/a 3.10n/an/an/an/an/an/a



Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate induced-calcium mobilization prei...

J Med Chem 60: 5072-5085 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00410
BindingDB Entry DOI: 10.7270/Q2JH3PM7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50257058
PNG
(CHEMBL2386849)
Show SMILES Cc1cc(Oc2cncc(F)c2)cc(n1)C(=O)Nc1ccc(F)cn1
Show InChI InChI=1S/C17H12F2N4O2/c1-10-4-13(25-14-5-12(19)7-20-9-14)6-15(22-10)17(24)23-16-3-2-11(18)8-21-16/h2-9H,1H3,(H,21,23,24)
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n/an/a 3.10n/an/an/an/an/an/a



Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate induced-calcium mobilization prei...

J Med Chem 60: 5072-5085 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00410
BindingDB Entry DOI: 10.7270/Q2JH3PM7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50257041
PNG
(CHEMBL4077672)
Show SMILES Cc1cc(Oc2cncc(F)c2)cc(n1)C(=O)Nc1cccc(F)n1
Show InChI InChI=1S/C17H12F2N4O2/c1-10-5-12(25-13-6-11(18)8-20-9-13)7-14(21-10)17(24)23-16-4-2-3-15(19)22-16/h2-9H,1H3,(H,22,23,24)
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n/an/a 3.5n/an/an/an/an/an/a



Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate induced-calcium mobilization prei...

J Med Chem 60: 5072-5085 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00410
BindingDB Entry DOI: 10.7270/Q2JH3PM7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50257041
PNG
(CHEMBL4077672)
Show SMILES Cc1cc(Oc2cncc(F)c2)cc(n1)C(=O)Nc1cccc(F)n1
Show InChI InChI=1S/C17H12F2N4O2/c1-10-5-12(25-13-6-11(18)8-20-9-13)7-14(21-10)17(24)23-16-4-2-3-15(19)22-16/h2-9H,1H3,(H,22,23,24)
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n/an/a 3.60n/an/an/an/an/an/a



Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate induced-calcium mobilization prei...

J Med Chem 60: 5072-5085 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00410
BindingDB Entry DOI: 10.7270/Q2JH3PM7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50257059
PNG
(CHEMBL4082854)
Show SMILES Cc1cc(Oc2cncnc2)cc(n1)C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C16H12ClN5O2/c1-10-4-12(24-13-7-18-9-19-8-13)5-14(21-10)16(23)22-15-3-2-11(17)6-20-15/h2-9H,1H3,(H,20,22,23)
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n/an/a 6.80n/an/an/an/an/an/a



Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate induced-calcium mobilization prei...

J Med Chem 60: 5072-5085 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00410
BindingDB Entry DOI: 10.7270/Q2JH3PM7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50257059
PNG
(CHEMBL4082854)
Show SMILES Cc1cc(Oc2cncnc2)cc(n1)C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C16H12ClN5O2/c1-10-4-12(24-13-7-18-9-19-8-13)5-14(21-10)16(23)22-15-3-2-11(17)6-20-15/h2-9H,1H3,(H,20,22,23)
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n/an/a 6.80n/an/an/an/an/an/a



Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate induced-calcium mobilization prei...

J Med Chem 60: 5072-5085 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00410
BindingDB Entry DOI: 10.7270/Q2JH3PM7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50257080
PNG
(CHEMBL4096818)
Show SMILES Cc1cc(Oc2cncc(Cl)c2)cc(n1)C(=O)Nc1ccc(F)cn1
Show InChI InChI=1S/C17H12ClFN4O2/c1-10-4-13(25-14-5-11(18)7-20-9-14)6-15(22-10)17(24)23-16-3-2-12(19)8-21-16/h2-9H,1H3,(H,21,23,24)
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n/an/a 7.20n/an/an/an/an/an/a



Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate induced-calcium mobilization prei...

J Med Chem 60: 5072-5085 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00410
BindingDB Entry DOI: 10.7270/Q2JH3PM7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50257080
PNG
(CHEMBL4096818)
Show SMILES Cc1cc(Oc2cncc(Cl)c2)cc(n1)C(=O)Nc1ccc(F)cn1
Show InChI InChI=1S/C17H12ClFN4O2/c1-10-4-13(25-14-5-11(18)7-20-9-14)6-15(22-10)17(24)23-16-3-2-12(19)8-21-16/h2-9H,1H3,(H,21,23,24)
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n/an/a 7.20n/an/an/an/an/an/a



Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate induced-calcium mobilization prei...

J Med Chem 60: 5072-5085 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00410
BindingDB Entry DOI: 10.7270/Q2JH3PM7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50457526
PNG
(CHEMBL4213773)
Show SMILES Fc1ccc(NC(=O)c2cc(Oc3cncc(F)c3)cc3cccnc23)nc1
Show InChI InChI=1S/C20H12F2N4O2/c21-13-3-4-18(25-10-13)26-20(27)17-8-15(6-12-2-1-5-24-19(12)17)28-16-7-14(22)9-23-11-16/h1-11H,(H,25,26,27)
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n/an/a 8n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity at rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of EC80 glutamate-induced Ca2+ mobiliz...

Bioorg Med Chem Lett 28: 1679-1685 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.053
BindingDB Entry DOI: 10.7270/Q2RV0R96
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50257063
PNG
(CHEMBL4076771)
Show SMILES Cc1cccc(NC(=O)c2cc(Oc3cncc(F)c3)cc(C)n2)n1
Show InChI InChI=1S/C18H15FN4O2/c1-11-4-3-5-17(22-11)23-18(24)16-8-14(6-12(2)21-16)25-15-7-13(19)9-20-10-15/h3-10H,1-2H3,(H,22,23,24)
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n/an/a 9.10n/an/an/an/an/an/a



Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate induced-calcium mobilization prei...

J Med Chem 60: 5072-5085 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00410
BindingDB Entry DOI: 10.7270/Q2JH3PM7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50257063
PNG
(CHEMBL4076771)
Show SMILES Cc1cccc(NC(=O)c2cc(Oc3cncc(F)c3)cc(C)n2)n1
Show InChI InChI=1S/C18H15FN4O2/c1-11-4-3-5-17(22-11)23-18(24)16-8-14(6-12(2)21-16)25-15-7-13(19)9-20-10-15/h3-10H,1-2H3,(H,22,23,24)
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n/an/a 9.10n/an/an/an/an/an/a



Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate induced-calcium mobilization prei...

J Med Chem 60: 5072-5085 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00410
BindingDB Entry DOI: 10.7270/Q2JH3PM7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50257044
PNG
(CHEMBL2386772)
Show SMILES CCc1cccc(NC(=O)c2cc(Oc3cncnc3)cc(C)n2)n1
Show InChI InChI=1S/C18H17N5O2/c1-3-13-5-4-6-17(22-13)23-18(24)16-8-14(7-12(2)21-16)25-15-9-19-11-20-10-15/h4-11H,3H2,1-2H3,(H,22,23,24)
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n/an/a 9.30n/an/an/an/an/an/a



Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate induced-calcium mobilization prei...

J Med Chem 60: 5072-5085 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00410
BindingDB Entry DOI: 10.7270/Q2JH3PM7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50257044
PNG
(CHEMBL2386772)
Show SMILES CCc1cccc(NC(=O)c2cc(Oc3cncnc3)cc(C)n2)n1
Show InChI InChI=1S/C18H17N5O2/c1-3-13-5-4-6-17(22-13)23-18(24)16-8-14(7-12(2)21-16)25-15-9-19-11-20-10-15/h4-11H,3H2,1-2H3,(H,22,23,24)
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n/an/a 9.30n/an/an/an/an/an/a



Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate induced-calcium mobilization prei...

J Med Chem 60: 5072-5085 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00410
BindingDB Entry DOI: 10.7270/Q2JH3PM7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50257079
PNG
(CHEMBL4100830)
Show SMILES Cc1cc(Oc2cncc(F)c2)cc(n1)C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C17H12ClFN4O2/c1-10-4-13(25-14-5-12(19)8-20-9-14)6-15(22-10)17(24)23-16-3-2-11(18)7-21-16/h2-9H,1H3,(H,21,23,24)
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n/an/a 9.5n/an/an/an/an/an/a



Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate induced-calcium mobilization prei...

J Med Chem 60: 5072-5085 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00410
BindingDB Entry DOI: 10.7270/Q2JH3PM7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50257079
PNG
(CHEMBL4100830)
Show SMILES Cc1cc(Oc2cncc(F)c2)cc(n1)C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C17H12ClFN4O2/c1-10-4-13(25-14-5-12(19)8-20-9-14)6-15(22-10)17(24)23-16-3-2-11(18)7-21-16/h2-9H,1H3,(H,21,23,24)
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n/an/a 9.60n/an/an/an/an/an/a



Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate induced-calcium mobilization prei...

J Med Chem 60: 5072-5085 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00410
BindingDB Entry DOI: 10.7270/Q2JH3PM7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50257082
PNG
(CHEMBL4093386)
Show SMILES Cc1csc(NC(=O)c2cc(Oc3cncc(F)c3)cc(C)n2)n1
Show InChI InChI=1S/C16H13FN4O2S/c1-9-3-12(23-13-4-11(17)6-18-7-13)5-14(19-9)15(22)21-16-20-10(2)8-24-16/h3-8H,1-2H3,(H,20,21,22)
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n/an/a 9.80n/an/an/an/an/an/a



Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate induced-calcium mobilization prei...

J Med Chem 60: 5072-5085 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00410
BindingDB Entry DOI: 10.7270/Q2JH3PM7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50257082
PNG
(CHEMBL4093386)
Show SMILES Cc1csc(NC(=O)c2cc(Oc3cncc(F)c3)cc(C)n2)n1
Show InChI InChI=1S/C16H13FN4O2S/c1-9-3-12(23-13-4-11(17)6-18-7-13)5-14(19-9)15(22)21-16-20-10(2)8-24-16/h3-8H,1-2H3,(H,20,21,22)
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n/an/a 10n/an/an/an/an/an/a



Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate induced-calcium mobilization prei...

J Med Chem 60: 5072-5085 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00410
BindingDB Entry DOI: 10.7270/Q2JH3PM7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50257045
PNG
(CHEMBL4095685)
Show SMILES Cc1cc(Oc2cncnc2)cc(n1)C(=O)Nc1cccc(F)n1
Show InChI InChI=1S/C16H12FN5O2/c1-10-5-11(24-12-7-18-9-19-8-12)6-13(20-10)16(23)22-15-4-2-3-14(17)21-15/h2-9H,1H3,(H,21,22,23)
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n/an/a 11n/an/an/an/an/an/a



Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate induced-calcium mobilization prei...

J Med Chem 60: 5072-5085 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00410
BindingDB Entry DOI: 10.7270/Q2JH3PM7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50257045
PNG
(CHEMBL4095685)
Show SMILES Cc1cc(Oc2cncnc2)cc(n1)C(=O)Nc1cccc(F)n1
Show InChI InChI=1S/C16H12FN5O2/c1-10-5-11(24-12-7-18-9-19-8-12)6-13(20-10)16(23)22-15-4-2-3-14(17)21-15/h2-9H,1H3,(H,21,22,23)
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n/an/a 11n/an/an/an/an/an/a



Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate induced-calcium mobilization prei...

J Med Chem 60: 5072-5085 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00410
BindingDB Entry DOI: 10.7270/Q2JH3PM7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50257064
PNG
(CHEMBL2386850)
Show SMILES Cc1cc(Oc2cncnc2)cc(n1)C(=O)Nc1ccc(F)cn1
Show InChI InChI=1S/C16H12FN5O2/c1-10-4-12(24-13-7-18-9-19-8-13)5-14(21-10)16(23)22-15-3-2-11(17)6-20-15/h2-9H,1H3,(H,20,22,23)
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n/an/a 11n/an/an/an/an/an/a



Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate induced-calcium mobilization prei...

J Med Chem 60: 5072-5085 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00410
BindingDB Entry DOI: 10.7270/Q2JH3PM7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50257064
PNG
(CHEMBL2386850)
Show SMILES Cc1cc(Oc2cncnc2)cc(n1)C(=O)Nc1ccc(F)cn1
Show InChI InChI=1S/C16H12FN5O2/c1-10-4-12(24-13-7-18-9-19-8-13)5-14(21-10)16(23)22-15-3-2-11(17)6-20-15/h2-9H,1H3,(H,20,22,23)
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n/an/a 11n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity at rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of EC80 glutamate-induced Ca2+ mobiliz...

Bioorg Med Chem Lett 28: 1679-1685 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.053
BindingDB Entry DOI: 10.7270/Q2RV0R96
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50257064
PNG
(CHEMBL2386850)
Show SMILES Cc1cc(Oc2cncnc2)cc(n1)C(=O)Nc1ccc(F)cn1
Show InChI InChI=1S/C16H12FN5O2/c1-10-4-12(24-13-7-18-9-19-8-13)5-14(21-10)16(23)22-15-3-2-11(17)6-20-15/h2-9H,1H3,(H,20,22,23)
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n/an/a 14n/an/an/an/an/an/a



Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGlu5 receptor expressed in HEK293 cells assessed as inhibition of glutamate induced-calcium mobilization pre...

J Med Chem 60: 5072-5085 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00410
BindingDB Entry DOI: 10.7270/Q2JH3PM7
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50005548
PNG
((+)-2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinol...)
Show SMILES CN1CC(c2ccccc2)c2cccc(N)c2C1
Show InChI InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3
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n/an/a 15n/an/an/an/an/an/a



Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University, Nashville, TN 37232, USA; Department of Pharmacology, Vanderbilt University, Nashville, TN 37232, USA.

Curated by ChEMBL


Assay Description
Inhibition of full-length recombinant human DAT expressed in CHOK1 cells assessed as reduction in [3H]dopamine uptake pretreated for 20 mins followed...

Bioorg Med Chem Lett 27: 4858-4866 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.042
BindingDB Entry DOI: 10.7270/Q2V1278Z
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50257061
PNG
(CHEMBL4062697)
Show SMILES Cc1cc(Oc2cncc(F)c2)cc(n1)C(=O)Nc1cc(F)ccn1
Show InChI InChI=1S/C17H12F2N4O2/c1-10-4-13(25-14-5-12(19)8-20-9-14)7-15(22-10)17(24)23-16-6-11(18)2-3-21-16/h2-9H,1H3,(H,21,23,24)
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n/an/a 19n/an/an/an/an/an/a



Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate induced-calcium mobilization prei...

J Med Chem 60: 5072-5085 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00410
BindingDB Entry DOI: 10.7270/Q2JH3PM7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50257061
PNG
(CHEMBL4062697)
Show SMILES Cc1cc(Oc2cncc(F)c2)cc(n1)C(=O)Nc1cc(F)ccn1
Show InChI InChI=1S/C17H12F2N4O2/c1-10-4-13(25-14-5-12(19)8-20-9-14)7-15(22-10)17(24)23-16-6-11(18)2-3-21-16/h2-9H,1H3,(H,21,23,24)
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n/an/a 19n/an/an/an/an/an/a



Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate induced-calcium mobilization prei...

J Med Chem 60: 5072-5085 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00410
BindingDB Entry DOI: 10.7270/Q2JH3PM7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50262573
PNG
(CHEMBL4089114)
Show SMILES Fc1ccc(NC(=O)c2cc(Oc3cncc(F)c3)cn3ncnc23)nc1
Show InChI InChI=1S/C17H10F2N6O2/c18-10-1-2-15(21-6-10)24-17(26)14-4-13(8-25-16(14)22-9-23-25)27-12-3-11(19)5-20-7-12/h1-9H,(H,21,24,26)
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n/an/a 20n/an/an/an/an/an/a



Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University, Nashville, TN 37232, USA; Department of Pharmacology, Vanderbilt University, Nashville, TN 37232, USA.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293 cells assessed as inhibition of glutamate induced-calcium mobilization prein...

Bioorg Med Chem Lett 27: 4858-4866 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.042
BindingDB Entry DOI: 10.7270/Q2V1278Z
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50262573
PNG
(CHEMBL4089114)
Show SMILES Fc1ccc(NC(=O)c2cc(Oc3cncc(F)c3)cn3ncnc23)nc1
Show InChI InChI=1S/C17H10F2N6O2/c18-10-1-2-15(21-6-10)24-17(26)14-4-13(8-25-16(14)22-9-23-25)27-12-3-11(19)5-20-7-12/h1-9H,(H,21,24,26)
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n/an/a 20n/an/an/an/an/an/a



Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University, Nashville, TN 37232, USA; Department of Pharmacology, Vanderbilt University, Nashville, TN 37232, USA.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293 cells assessed as inhibition of glutamate induced-calcium mobilization prein...

Bioorg Med Chem Lett 27: 4858-4866 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.042
BindingDB Entry DOI: 10.7270/Q2V1278Z
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50262573
PNG
(CHEMBL4089114)
Show SMILES Fc1ccc(NC(=O)c2cc(Oc3cncc(F)c3)cn3ncnc23)nc1
Show InChI InChI=1S/C17H10F2N6O2/c18-10-1-2-15(21-6-10)24-17(26)14-4-13(8-25-16(14)22-9-23-25)27-12-3-11(19)5-20-7-12/h1-9H,(H,21,24,26)
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n/an/a 20n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity at rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of EC80 glutamate-induced Ca2+ mobiliz...

Bioorg Med Chem Lett 28: 1679-1685 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.053
BindingDB Entry DOI: 10.7270/Q2RV0R96
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50262571
PNG
(CHEMBL4066902)
Show SMILES Fc1ccc(NC(=O)c2cc(Oc3cncc(F)c3)cn3ccnc23)nc1
Show InChI InChI=1S/C18H11F2N5O2/c19-11-1-2-16(23-8-11)24-18(26)15-6-14(10-25-4-3-22-17(15)25)27-13-5-12(20)7-21-9-13/h1-10H,(H,23,24,26)
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n/an/a 20n/an/an/an/an/an/a



Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University, Nashville, TN 37232, USA; Department of Pharmacology, Vanderbilt University, Nashville, TN 37232, USA.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293 cells assessed as inhibition of glutamate induced-calcium mobilization prein...

Bioorg Med Chem Lett 27: 4858-4866 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.042
BindingDB Entry DOI: 10.7270/Q2V1278Z
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50257062
PNG
(CHEMBL4103707)
Show SMILES Cc1cccc(NC(=O)c2cc(Oc3cncnc3)cc(C)n2)n1
Show InChI InChI=1S/C17H15N5O2/c1-11-4-3-5-16(21-11)22-17(23)15-7-13(6-12(2)20-15)24-14-8-18-10-19-9-14/h3-10H,1-2H3,(H,21,22,23)
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n/an/a 20n/an/an/an/an/an/a



Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate induced-calcium mobilization prei...

J Med Chem 60: 5072-5085 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00410
BindingDB Entry DOI: 10.7270/Q2JH3PM7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50257062
PNG
(CHEMBL4103707)
Show SMILES Cc1cccc(NC(=O)c2cc(Oc3cncnc3)cc(C)n2)n1
Show InChI InChI=1S/C17H15N5O2/c1-11-4-3-5-16(21-11)22-17(23)15-7-13(6-12(2)20-15)24-14-8-18-10-19-9-14/h3-10H,1-2H3,(H,21,22,23)
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n/an/a 20n/an/an/an/an/an/a



Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate induced-calcium mobilization prei...

J Med Chem 60: 5072-5085 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00410
BindingDB Entry DOI: 10.7270/Q2JH3PM7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50262571
PNG
(CHEMBL4066902)
Show SMILES Fc1ccc(NC(=O)c2cc(Oc3cncc(F)c3)cn3ccnc23)nc1
Show InChI InChI=1S/C18H11F2N5O2/c19-11-1-2-16(23-8-11)24-18(26)15-6-14(10-25-4-3-22-17(15)25)27-13-5-12(20)7-21-9-13/h1-10H,(H,23,24,26)
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n/an/a 20n/an/an/an/an/an/a



Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University, Nashville, TN 37232, USA; Department of Pharmacology, Vanderbilt University, Nashville, TN 37232, USA.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293 cells assessed as inhibition of glutamate induced-calcium mobilization prein...

Bioorg Med Chem Lett 27: 4858-4866 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.042
BindingDB Entry DOI: 10.7270/Q2V1278Z
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		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 24n/an/an/an/an/an/a



Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate induced-calcium mobilization prei...

J Med Chem 60: 5072-5085 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00410
BindingDB Entry DOI: 10.7270/Q2JH3PM7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		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 24n/an/an/an/an/an/a



Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate induced-calcium mobilization prei...

J Med Chem 60: 5072-5085 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00410
BindingDB Entry DOI: 10.7270/Q2JH3PM7
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
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50262608
PNG
(CHEMBL4071447)
Show SMILES Fc1ccc(NC(=O)c2cc(Oc3cncc(F)c3)cn3cnnc23)nc1
Show InChI InChI=1S/C17H10F2N6O2/c18-10-1-2-15(21-6-10)23-17(26)14-4-13(8-25-9-22-24-16(14)25)27-12-3-11(19)5-20-7-12/h1-9H,(H,21,23,26)
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n/an/a 27n/an/an/an/an/an/a



Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University, Nashville, TN 37232, USA; Department of Pharmacology, Vanderbilt University, Nashville, TN 37232, USA.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293 cells assessed as inhibition of glutamate induced-calcium mobilization prein...

Bioorg Med Chem Lett 27: 4858-4866 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.042
BindingDB Entry DOI: 10.7270/Q2V1278Z
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50262608
PNG
(CHEMBL4071447)
Show SMILES Fc1ccc(NC(=O)c2cc(Oc3cncc(F)c3)cn3cnnc23)nc1
Show InChI InChI=1S/C17H10F2N6O2/c18-10-1-2-15(21-6-10)23-17(26)14-4-13(8-25-9-22-24-16(14)25)27-12-3-11(19)5-20-7-12/h1-9H,(H,21,23,26)
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n/an/a 27n/an/an/an/an/an/a



Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University, Nashville, TN 37232, USA; Department of Pharmacology, Vanderbilt University, Nashville, TN 37232, USA.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293 cells assessed as inhibition of glutamate induced-calcium mobilization prein...

Bioorg Med Chem Lett 27: 4858-4866 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.042
BindingDB Entry DOI: 10.7270/Q2V1278Z
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))		BDBM50160568
PNG
(CHEMBL3786530)
Show SMILES OCCSc1nc2CCCCc2c(NC2Cc3ccccc3C2)n1
Show InChI InChI=1S/C19H23N3OS/c23-9-10-24-19-21-17-8-4-3-7-16(17)18(22-19)20-15-11-13-5-1-2-6-14(13)12-15/h1-2,5-6,15,23H,3-4,7-12H2,(H,20,21,22)
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n/an/a 28n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation activity at recombinant human mGluR1a expressed in CHO cells assessed as inhibition of L-glutamate-induced intracellul...

Bioorg Med Chem Lett 26: 1894-900 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.026
BindingDB Entry DOI: 10.7270/Q2HT2R7J
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50257083
PNG
(CHEMBL4084619)
Show SMILES CCc1cccc(NC(=O)c2cc(Oc3cncc(F)c3)cc(C)n2)n1
Show InChI InChI=1S/C19H17FN4O2/c1-3-14-5-4-6-18(23-14)24-19(25)17-9-15(7-12(2)22-17)26-16-8-13(20)10-21-11-16/h4-11H,3H2,1-2H3,(H,23,24,25)
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n/an/a 32n/an/an/an/an/an/a



Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate induced-calcium mobilization prei...

J Med Chem 60: 5072-5085 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00410
BindingDB Entry DOI: 10.7270/Q2JH3PM7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50257083
PNG
(CHEMBL4084619)
Show SMILES CCc1cccc(NC(=O)c2cc(Oc3cncc(F)c3)cc(C)n2)n1
Show InChI InChI=1S/C19H17FN4O2/c1-3-14-5-4-6-18(23-14)24-19(25)17-9-15(7-12(2)22-17)26-16-8-13(20)10-21-11-16/h4-11H,3H2,1-2H3,(H,23,24,25)
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n/an/a 32n/an/an/an/an/an/a



Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate induced-calcium mobilization prei...

J Med Chem 60: 5072-5085 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00410
BindingDB Entry DOI: 10.7270/Q2JH3PM7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50257043
PNG
(CHEMBL2386771)
Show SMILES Cc1cc(Oc2cnc(C)nc2)cc(n1)C(=O)Nc1ccc(F)cn1
Show InChI InChI=1S/C17H14FN5O2/c1-10-5-13(25-14-8-19-11(2)20-9-14)6-15(22-10)17(24)23-16-4-3-12(18)7-21-16/h3-9H,1-2H3,(H,21,23,24)
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n/an/a 33n/an/an/an/an/an/a



Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate induced-calcium mobilization prei...

J Med Chem 60: 5072-5085 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00410
BindingDB Entry DOI: 10.7270/Q2JH3PM7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50257043
PNG
(CHEMBL2386771)
Show SMILES Cc1cc(Oc2cnc(C)nc2)cc(n1)C(=O)Nc1ccc(F)cn1
Show InChI InChI=1S/C17H14FN5O2/c1-10-5-13(25-14-8-19-11(2)20-9-14)6-15(22-10)17(24)23-16-4-3-12(18)7-21-16/h3-9H,1-2H3,(H,21,23,24)
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n/an/a 33n/an/an/an/an/an/a



Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate induced-calcium mobilization prei...

J Med Chem 60: 5072-5085 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00410
BindingDB Entry DOI: 10.7270/Q2JH3PM7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50262633
PNG
(CHEMBL4077770)
Show SMILES Fc1cncc(Oc2cc(C(=O)Nc3cccc(F)n3)c3nccn3c2)c1
Show InChI InChI=1S/C18H11F2N5O2/c19-11-6-12(9-21-8-11)27-13-7-14(17-22-4-5-25(17)10-13)18(26)24-16-3-1-2-15(20)23-16/h1-10H,(H,23,24,26)
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n/an/a 38n/an/an/an/an/an/a



Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University, Nashville, TN 37232, USA; Department of Pharmacology, Vanderbilt University, Nashville, TN 37232, USA.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293 cells assessed as inhibition of glutamate induced-calcium mobilization prein...

Bioorg Med Chem Lett 27: 4858-4866 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.042
BindingDB Entry DOI: 10.7270/Q2V1278Z
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50262633
PNG
(CHEMBL4077770)
Show SMILES Fc1cncc(Oc2cc(C(=O)Nc3cccc(F)n3)c3nccn3c2)c1
Show InChI InChI=1S/C18H11F2N5O2/c19-11-6-12(9-21-8-11)27-13-7-14(17-22-4-5-25(17)10-13)18(26)24-16-3-1-2-15(20)23-16/h1-10H,(H,23,24,26)
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n/an/a 38n/an/an/an/an/an/a



Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University, Nashville, TN 37232, USA; Department of Pharmacology, Vanderbilt University, Nashville, TN 37232, USA.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293 cells assessed as inhibition of glutamate induced-calcium mobilization prein...

Bioorg Med Chem Lett 27: 4858-4866 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.042
BindingDB Entry DOI: 10.7270/Q2V1278Z
More data for this
Ligand-Target Pair
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