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Compile Data Set for Download or QSAR

Found 120 hits with Last Name = 'minidis' and Initial = 'ab'   
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


(Homo sapiens (Human))		BDBM50395922
PNG
(CHEMBL2164552)
Show SMILES Fc1cc(cc(c1)-c1nc(no1)-c1ccc(cn1)C#N)C#N
Show InChI InChI=1S/C15H6FN5O/c16-12-4-10(7-18)3-11(5-12)15-20-14(21-22-15)13-2-1-9(6-17)8-19-13/h1-5,8H
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 17.9n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]AZD9272 from human mGluR5 expressed in HEK293 cell membranes expressing GLAST after 1 hr by scintillation counter

Bioorg Med Chem Lett 22: 6974-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.100
BindingDB Entry DOI: 10.7270/Q2BP03WH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50395922
PNG
(CHEMBL2164552)
Show SMILES Fc1cc(cc(c1)-c1nc(no1)-c1ccc(cn1)C#N)C#N
Show InChI InChI=1S/C15H6FN5O/c16-12-4-10(7-18)3-11(5-12)15-20-14(21-22-15)13-2-1-9(6-17)8-19-13/h1-5,8H
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 28n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from human mGluR5 expressed in HEK293 cell membranes expressing GLAST after 1 hr by scintillation counter

Bioorg Med Chem Lett 22: 6974-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.100
BindingDB Entry DOI: 10.7270/Q2BP03WH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50395923
PNG
(CHEMBL2164550)
Show SMILES Fc1ccc(nc1)-c1noc(n1)-c1cc(F)cc(c1)C#N
Show InChI InChI=1S/C14H6F2N4O/c15-10-1-2-12(18-7-10)13-19-14(21-20-13)9-3-8(6-17)4-11(16)5-9/h1-5,7H
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n/an/a 2.60n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracellu...

Bioorg Med Chem Lett 22: 6974-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.100
BindingDB Entry DOI: 10.7270/Q2BP03WH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50395922
PNG
(CHEMBL2164552)
Show SMILES Fc1cc(cc(c1)-c1nc(no1)-c1ccc(cn1)C#N)C#N
Show InChI InChI=1S/C15H6FN5O/c16-12-4-10(7-18)3-11(5-12)15-20-14(21-22-15)13-2-1-9(6-17)8-19-13/h1-5,8H
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n/an/a 3.20n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracellu...

Bioorg Med Chem Lett 22: 6974-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.100
BindingDB Entry DOI: 10.7270/Q2BP03WH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50395923
PNG
(CHEMBL2164550)
Show SMILES Fc1ccc(nc1)-c1noc(n1)-c1cc(F)cc(c1)C#N
Show InChI InChI=1S/C14H6F2N4O/c15-10-1-2-12(18-7-10)13-19-14(21-20-13)9-3-8(6-17)4-11(16)5-9/h1-5,7H
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n/an/a 7.60n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...

Bioorg Med Chem Lett 22: 6974-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.100
BindingDB Entry DOI: 10.7270/Q2BP03WH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM50390485
PNG
(CHEMBL2071601)
Show SMILES CC(C)C(NC(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H16ClF3N2O4/c1-10(2)16(17(26)11-3-6-13(7-4-11)25(28)29)24-18(27)14-9-12(20)5-8-15(14)19(21,22)23/h3-10,16H,1-2H3,(H,24,27)
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n/an/a 10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of Zn2+-induced intracellular calcium flux by FLIPR assay

Bioorg Med Chem Lett 22: 5485-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.032
BindingDB Entry DOI: 10.7270/Q2RR20B8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50395922
PNG
(CHEMBL2164552)
Show SMILES Fc1cc(cc(c1)-c1nc(no1)-c1ccc(cn1)C#N)C#N
Show InChI InChI=1S/C15H6FN5O/c16-12-4-10(7-18)3-11(5-12)15-20-14(21-22-15)13-2-1-9(6-17)8-19-13/h1-5,8H
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n/an/a 13.4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...

Bioorg Med Chem Lett 22: 6974-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.100
BindingDB Entry DOI: 10.7270/Q2BP03WH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50395922
PNG
(CHEMBL2164552)
Show SMILES Fc1cc(cc(c1)-c1nc(no1)-c1ccc(cn1)C#N)C#N
Show InChI InChI=1S/C15H6FN5O/c16-12-4-10(7-18)3-11(5-12)15-20-14(21-22-15)13-2-1-9(6-17)8-19-13/h1-5,8H
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n/an/a 14.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]AZD9272 from mGluR5 in Sprague-Dawley rat striatum by autoradiographic analysis

Bioorg Med Chem Lett 22: 6974-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.100
BindingDB Entry DOI: 10.7270/Q2BP03WH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50395942
PNG
(CHEMBL2164545)
Show SMILES Fc1cc(cc(c1)-c1nc(co1)-c1ccccn1)C#N
Show InChI InChI=1S/C15H8FN3O/c16-12-6-10(8-17)5-11(7-12)15-19-14(9-20-15)13-3-1-2-4-18-13/h1-7,9H
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n/an/a 22n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...

Bioorg Med Chem Lett 22: 6974-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.100
BindingDB Entry DOI: 10.7270/Q2BP03WH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50084137
PNG
(2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-ph...)
Show SMILES Cc1cccc(n1)C#Cc1ccccc1
Show InChI InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3
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n/an/a 22n/an/an/an/an/an/a



NPS-Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of glutamate-induced calcium influx in human mGluR5d by FLIPR

Bioorg Med Chem Lett 16: 2467-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.100
BindingDB Entry DOI: 10.7270/Q22Z1544
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50395941
PNG
(CHEMBL2164546)
Show SMILES Fc1cc(cc(c1)-c1noc(n1)-c1ccccn1)C#N
Show InChI InChI=1S/C14H7FN4O/c15-11-6-9(8-16)5-10(7-11)13-18-14(20-19-13)12-3-1-2-4-17-12/h1-7H
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n/an/a 23n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...

Bioorg Med Chem Lett 22: 6974-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.100
BindingDB Entry DOI: 10.7270/Q2BP03WH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50395937
PNG
(CHEMBL2164538)
Show SMILES Cc1nc(cs1)-c1cccnc1
Show InChI InChI=1S/C9H8N2S/c1-7-11-9(6-12-7)8-3-2-4-10-5-8/h2-6H,1H3
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n/an/a 24n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]AZD9272 from mGluR5 in Sprague-Dawley rat striatum by autoradiographic analysis

Bioorg Med Chem Lett 22: 6974-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.100
BindingDB Entry DOI: 10.7270/Q2BP03WH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50395943
PNG
(CHEMBL2164544)
Show SMILES Fc1cc(cc(c1)-c1nc(no1)-c1ccccn1)C#N
Show InChI InChI=1S/C14H7FN4O/c15-11-6-9(8-16)5-10(7-11)14-18-13(19-20-14)12-3-1-2-4-17-12/h1-7H
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n/an/a 25n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...

Bioorg Med Chem Lett 22: 6974-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.100
BindingDB Entry DOI: 10.7270/Q2BP03WH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50395923
PNG
(CHEMBL2164550)
Show SMILES Fc1ccc(nc1)-c1noc(n1)-c1cc(F)cc(c1)C#N
Show InChI InChI=1S/C14H6F2N4O/c15-10-1-2-12(18-7-10)13-19-14(21-20-13)9-3-8(6-17)4-11(16)5-9/h1-5,7H
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n/an/a 26n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of glutamate-stimulated ...

Bioorg Med Chem Lett 22: 6974-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.100
BindingDB Entry DOI: 10.7270/Q2BP03WH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50151909
PNG
(3-(3-Pyridin-2-yl-[1,2,4]oxadiazol-5-yl)-benzonitr...)
Show SMILES N#Cc1cccc(c1)-c1nc(no1)-c1ccccn1
Show InChI InChI=1S/C14H8N4O/c15-9-10-4-3-5-11(8-10)14-17-13(18-19-14)12-6-1-2-7-16-12/h1-8H
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n/an/a 43n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...

Bioorg Med Chem Lett 22: 6974-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.100
BindingDB Entry DOI: 10.7270/Q2BP03WH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50395922
PNG
(CHEMBL2164552)
Show SMILES Fc1cc(cc(c1)-c1nc(no1)-c1ccc(cn1)C#N)C#N
Show InChI InChI=1S/C15H6FN5O/c16-12-4-10(7-18)3-11(5-12)15-20-14(21-22-15)13-2-1-9(6-17)8-19-13/h1-5,8H
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n/an/a 51n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of glutamate-stimulated ...

Bioorg Med Chem Lett 22: 6974-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.100
BindingDB Entry DOI: 10.7270/Q2BP03WH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50395940
PNG
(CHEMBL2164547)
Show SMILES Fc1cc(cc(c1)-c1ccc(o1)-c1ccccn1)C#N
Show InChI InChI=1S/C16H9FN2O/c17-13-8-11(10-18)7-12(9-13)15-4-5-16(20-15)14-3-1-2-6-19-14/h1-9H
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n/an/a 61n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...

Bioorg Med Chem Lett 22: 6974-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.100
BindingDB Entry DOI: 10.7270/Q2BP03WH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50182823
PNG
(4-(3,4-dichlorophenylthio)-2-(5-fluoropyridin-2-yl...)
Show SMILES Fc1ccc(nc1)-c1nccc(Sc2ccc(Cl)c(Cl)c2)n1
Show InChI InChI=1S/C15H8Cl2FN3S/c16-11-3-2-10(7-12(11)17)22-14-5-6-19-15(21-14)13-4-1-9(18)8-20-13/h1-8H
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n/an/a 80n/an/an/an/an/an/a



NPS-Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of glutamate-induced calcium influx in human mGluR5d by FLIPR

Bioorg Med Chem Lett 16: 2467-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.100
BindingDB Entry DOI: 10.7270/Q22Z1544
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50182811
PNG
(4-(3,4-dichlorophenylthio)-2-(pyridin-2-yl)pyrimid...)
Show SMILES Clc1ccc(Sc2ccnc(n2)-c2ccccn2)cc1Cl
Show InChI InChI=1S/C15H9Cl2N3S/c16-11-5-4-10(9-12(11)17)21-14-6-8-19-15(20-14)13-3-1-2-7-18-13/h1-9H
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n/an/a 90n/an/an/an/an/an/a



NPS-Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of glutamate-induced calcium influx in human mGluR5d by FLIPR

Bioorg Med Chem Lett 16: 2467-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.100
BindingDB Entry DOI: 10.7270/Q22Z1544
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM38857
PNG
(2-[5-(3-Chloro-phenyl)-[1,2,4]oxadiazol-3-yl]-pyri...)
Show SMILES Clc1cccc(c1)-c1nc(no1)-c1ccccn1
Show InChI InChI=1S/C13H8ClN3O/c14-10-5-3-4-9(8-10)13-16-12(17-18-13)11-6-1-2-7-15-11/h1-8H
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n/an/a 116n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...

Bioorg Med Chem Lett 22: 6974-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.100
BindingDB Entry DOI: 10.7270/Q2BP03WH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50395929
PNG
(CHEMBL2164560)
Show SMILES Brc1cccc(c1)-c1nc(no1)-c1ccccn1
Show InChI InChI=1S/C13H8BrN3O/c14-10-5-3-4-9(8-10)13-16-12(17-18-13)11-6-1-2-7-15-11/h1-8H
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n/an/a 118n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...

Bioorg Med Chem Lett 22: 6974-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.100
BindingDB Entry DOI: 10.7270/Q2BP03WH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50395936
PNG
(CHEMBL2164553)
Show SMILES Clc1cc(Cl)cc(c1)-c1nc(no1)-c1ccccn1
Show InChI InChI=1S/C13H7Cl2N3O/c14-9-5-8(6-10(15)7-9)13-17-12(18-19-13)11-3-1-2-4-16-11/h1-7H
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AstraZeneca

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...

Bioorg Med Chem Lett 22: 6974-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.100
BindingDB Entry DOI: 10.7270/Q2BP03WH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50395926
PNG
(CHEMBL2164541)
Show SMILES Fc1cc(F)cc(c1)-c1nc(no1)-c1ccccn1
Show InChI InChI=1S/C13H7F2N3O/c14-9-5-8(6-10(15)7-9)13-17-12(18-19-13)11-3-1-2-4-16-11/h1-7H
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AstraZeneca

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...

Bioorg Med Chem Lett 22: 6974-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.100
BindingDB Entry DOI: 10.7270/Q2BP03WH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50395924
PNG
(CHEMBL2164543)
Show SMILES N#Cc1cc(cc(c1)-c1nc(no1)-c1ccccn1)C#N
Show InChI InChI=1S/C15H7N5O/c16-8-10-5-11(9-17)7-12(6-10)15-19-14(20-21-15)13-3-1-2-4-18-13/h1-7H
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AstraZeneca

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...

Bioorg Med Chem Lett 22: 6974-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.100
BindingDB Entry DOI: 10.7270/Q2BP03WH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM50390479
PNG
(CHEMBL2071599)
Show SMILES CC(C)c1onc(C)c1C(=O)NC(C(=O)c1ccc(C#N)c(F)c1)C(C)(C)C
Show InChI InChI=1S/C21H24FN3O3/c1-11(2)18-16(12(3)25-28-18)20(27)24-19(21(4,5)6)17(26)13-7-8-14(10-23)15(22)9-13/h7-9,11,19H,1-6H3,(H,24,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of Zn2+-induced intracellular calcium flux by FLIPR assay

Bioorg Med Chem Lett 22: 5485-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.032
BindingDB Entry DOI: 10.7270/Q2RR20B8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50182813
PNG
(2-(pyridin-2-yl)-4-(4-(trifluoromethyl)phenylthio)...)
Show SMILES FC(F)(F)c1ccc(Sc2ccnc(n2)-c2ccccn2)cc1
Show InChI InChI=1S/C16H10F3N3S/c17-16(18,19)11-4-6-12(7-5-11)23-14-8-10-21-15(22-14)13-3-1-2-9-20-13/h1-10H
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NPS-Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of glutamate-induced calcium influx in human mGluR5d by FLIPR

Bioorg Med Chem Lett 16: 2467-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.100
BindingDB Entry DOI: 10.7270/Q22Z1544
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM90654
PNG
(2-[5-(3-Nitro-phenyl)-[1,2,4]oxadiazol-3-yl]-pyrid...)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1nc(no1)-c1ccccn1
Show InChI InChI=1S/C13H8N4O3/c18-17(19)10-5-3-4-9(8-10)13-15-12(16-20-13)11-6-1-2-7-14-11/h1-8H
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AstraZeneca

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...

Bioorg Med Chem Lett 22: 6974-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.100
BindingDB Entry DOI: 10.7270/Q2BP03WH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM50390463
PNG
(CHEMBL2071586)
Show SMILES CC(C)C(NC(=O)N(C)C(C)(C)C)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H25ClN2O2/c1-11(2)14(19-16(22)20(6)17(3,4)5)15(21)12-7-9-13(18)10-8-12/h7-11,14H,1-6H3,(H,19,22)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of Ca2+-induced intracellular calcium flux by FLIPR assay

Bioorg Med Chem Lett 22: 5485-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.032
BindingDB Entry DOI: 10.7270/Q2RR20B8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM50390478
PNG
(CHEMBL2071491)
Show SMILES CC(C)C(NC(=O)c1ccccc1)C(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C18H18N2O4/c1-12(2)16(19-18(22)14-6-4-3-5-7-14)17(21)13-8-10-15(11-9-13)20(23)24/h3-12,16H,1-2H3,(H,19,22)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of Zn2+-induced intracellular calcium flux by FLIPR assay

Bioorg Med Chem Lett 22: 5485-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.032
BindingDB Entry DOI: 10.7270/Q2RR20B8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50395933
PNG
(CHEMBL2164556)
Show SMILES Clc1cccc(-c2nc(no2)-c2ccccn2)c1Cl
Show InChI InChI=1S/C13H7Cl2N3O/c14-9-5-3-4-8(11(9)15)13-17-12(18-19-13)10-6-1-2-7-16-10/h1-7H
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AstraZeneca

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...

Bioorg Med Chem Lett 22: 6974-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.100
BindingDB Entry DOI: 10.7270/Q2BP03WH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM50390470
PNG
(CHEMBL2071507)
Show SMILES CC(C)C(NC(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C20H16ClF3N2O2/c1-11(2)17(18(27)13-5-3-12(10-25)4-6-13)26-19(28)15-9-14(21)7-8-16(15)20(22,23)24/h3-9,11,17H,1-2H3,(H,26,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of Zn2+-induced intracellular calcium flux by FLIPR assay

Bioorg Med Chem Lett 22: 5485-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.032
BindingDB Entry DOI: 10.7270/Q2RR20B8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM50390478
PNG
(CHEMBL2071491)
Show SMILES CC(C)C(NC(=O)c1ccccc1)C(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C18H18N2O4/c1-12(2)16(19-18(22)14-6-4-3-5-7-14)17(21)13-8-10-15(11-9-13)20(23)24/h3-12,16H,1-2H3,(H,19,22)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of Ca2+-induced intracellular calcium flux by FLIPR assay

Bioorg Med Chem Lett 22: 5485-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.032
BindingDB Entry DOI: 10.7270/Q2RR20B8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50182822
PNG
(4-(4-chlorophenylthio)-2-(pyridin-2-yl)pyrimidine ...)
Show SMILES Clc1ccc(Sc2ccnc(n2)-c2ccccn2)cc1
Show InChI InChI=1S/C15H10ClN3S/c16-11-4-6-12(7-5-11)20-14-8-10-18-15(19-14)13-3-1-2-9-17-13/h1-10H
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NPS-Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of glutamate-induced calcium influx in human mGluR5d by FLIPR

Bioorg Med Chem Lett 16: 2467-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.100
BindingDB Entry DOI: 10.7270/Q22Z1544
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50182819
PNG
(4-(3,4-dichlorophenylthio)-2-(6-methylpyridin-2-yl...)
Show SMILES Cc1cccc(n1)-c1nccc(Sc2ccc(Cl)c(Cl)c2)n1
Show InChI InChI=1S/C16H11Cl2N3S/c1-10-3-2-4-14(20-10)16-19-8-7-15(21-16)22-11-5-6-12(17)13(18)9-11/h2-9H,1H3
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NPS-Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of glutamate-induced calcium influx in human mGluR5d by FLIPR

Bioorg Med Chem Lett 16: 2467-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.100
BindingDB Entry DOI: 10.7270/Q22Z1544
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM50390476
PNG
(CHEMBL2071494)
Show SMILES CC(C)C(NC(=O)c1ccccc1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H18ClNO2/c1-12(2)16(17(21)13-8-10-15(19)11-9-13)20-18(22)14-6-4-3-5-7-14/h3-12,16H,1-2H3,(H,20,22)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of Zn2+-induced intracellular calcium flux by FLIPR assay

Bioorg Med Chem Lett 22: 5485-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.032
BindingDB Entry DOI: 10.7270/Q2RR20B8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM50390470
PNG
(CHEMBL2071507)
Show SMILES CC(C)C(NC(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C20H16ClF3N2O2/c1-11(2)17(18(27)13-5-3-12(10-25)4-6-13)26-19(28)15-9-14(21)7-8-16(15)20(22,23)24/h3-9,11,17H,1-2H3,(H,26,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of Ca2+-induced intracellular calcium flux by FLIPR assay

Bioorg Med Chem Lett 22: 5485-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.032
BindingDB Entry DOI: 10.7270/Q2RR20B8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM50390473
PNG
(CHEMBL2071502)
Show SMILES CC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C19H17ClN2O2/c1-12(2)17(18(23)14-5-3-13(11-21)4-6-14)22-19(24)15-7-9-16(20)10-8-15/h3-10,12,17H,1-2H3,(H,22,24)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of Ca2+-induced intracellular calcium flux by FLIPR assay

Bioorg Med Chem Lett 22: 5485-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.032
BindingDB Entry DOI: 10.7270/Q2RR20B8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM50390458
PNG
(CHEMBL2071592)
Show SMILES CC(C)(C)C(NC(=O)c1ccccc1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H20ClNO2/c1-19(2,3)17(16(22)13-9-11-15(20)12-10-13)21-18(23)14-7-5-4-6-8-14/h4-12,17H,1-3H3,(H,21,23)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of Zn2+-induced intracellular calcium flux by FLIPR assay

Bioorg Med Chem Lett 22: 5485-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.032
BindingDB Entry DOI: 10.7270/Q2RR20B8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM50390476
PNG
(CHEMBL2071494)
Show SMILES CC(C)C(NC(=O)c1ccccc1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H18ClNO2/c1-12(2)16(17(21)13-8-10-15(19)11-9-13)20-18(22)14-6-4-3-5-7-14/h3-12,16H,1-2H3,(H,20,22)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of Zn2+-induced intracellular calcium flux by FLIPR assay

Bioorg Med Chem Lett 22: 5485-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.032
BindingDB Entry DOI: 10.7270/Q2RR20B8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM50390488
PNG
(CHEMBL2071600)
Show SMILES CC(C)C(NC(=O)c1cnn(c1C(F)(F)F)C(C)(C)C)C(=O)c1ccc2nonc2c1
Show InChI InChI=1S/C20H22F3N5O3/c1-10(2)15(16(29)11-6-7-13-14(8-11)27-31-26-13)25-18(30)12-9-24-28(19(3,4)5)17(12)20(21,22)23/h6-10,15H,1-5H3,(H,25,30)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of Zn2+-induced intracellular calcium flux by FLIPR assay

Bioorg Med Chem Lett 22: 5485-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.032
BindingDB Entry DOI: 10.7270/Q2RR20B8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50395935
PNG
(CHEMBL2164554)
Show SMILES Clc1ccccc1-c1nc(no1)-c1ccccn1
Show InChI InChI=1S/C13H8ClN3O/c14-10-6-2-1-5-9(10)13-16-12(17-18-13)11-7-3-4-8-15-11/h1-8H
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AstraZeneca

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...

Bioorg Med Chem Lett 22: 6974-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.100
BindingDB Entry DOI: 10.7270/Q2BP03WH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50395931
PNG
(CHEMBL2164558)
Show SMILES Cc1cccc(c1)-c1nc(no1)-c1ccccn1
Show InChI InChI=1S/C14H11N3O/c1-10-5-4-6-11(9-10)14-16-13(17-18-14)12-7-2-3-8-15-12/h2-9H,1H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...

Bioorg Med Chem Lett 22: 6974-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.100
BindingDB Entry DOI: 10.7270/Q2BP03WH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM50390468
PNG
(CHEMBL2071509)
Show SMILES CC(C)C(NC(=O)c1cnoc1C(C)(C)C)C(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C20H23N3O3/c1-12(2)16(17(24)14-8-6-13(10-21)7-9-14)23-19(25)15-11-22-26-18(15)20(3,4)5/h6-9,11-12,16H,1-5H3,(H,23,25)
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n/an/a 501n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of Zn2+-induced intracellular calcium flux by FLIPR assay

Bioorg Med Chem Lett 22: 5485-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.032
BindingDB Entry DOI: 10.7270/Q2RR20B8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM48215
PNG
(2-[5-(3-Methoxy-phenyl)-[1,2,4]oxadiazol-3-yl]-pyr...)
Show SMILES COc1cccc(c1)-c1nc(no1)-c1ccccn1
Show InChI InChI=1S/C14H11N3O2/c1-18-11-6-4-5-10(9-11)14-16-13(17-19-14)12-7-2-3-8-15-12/h2-9H,1H3
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n/an/a 540n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...

Bioorg Med Chem Lett 22: 6974-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.100
BindingDB Entry DOI: 10.7270/Q2BP03WH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50182816
PNG
(2-(pyridin-2-yl)-4-(3-(trifluoromethyl)phenylthio)...)
Show SMILES FC(F)(F)c1cccc(Sc2ccnc(n2)-c2ccccn2)c1
Show InChI InChI=1S/C16H10F3N3S/c17-16(18,19)11-4-3-5-12(10-11)23-14-7-9-21-15(22-14)13-6-1-2-8-20-13/h1-10H
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n/an/a 550n/an/an/an/an/an/a



NPS-Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of glutamate-induced calcium influx in human mGluR5d by FLIPR

Bioorg Med Chem Lett 16: 2467-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.100
BindingDB Entry DOI: 10.7270/Q22Z1544
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50182809
PNG
(4-(3-chlorophenylthio)-2-(pyridin-2-yl)pyrimidine ...)
Show SMILES Clc1cccc(Sc2ccnc(n2)-c2ccccn2)c1
Show InChI InChI=1S/C15H10ClN3S/c16-11-4-3-5-12(10-11)20-14-7-9-18-15(19-14)13-6-1-2-8-17-13/h1-10H
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n/an/a 620n/an/an/an/an/an/a



NPS-Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of glutamate-induced calcium influx in human mGluR5d by FLIPR

Bioorg Med Chem Lett 16: 2467-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.100
BindingDB Entry DOI: 10.7270/Q22Z1544
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM50390463
PNG
(CHEMBL2071586)
Show SMILES CC(C)C(NC(=O)N(C)C(C)(C)C)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H25ClN2O2/c1-11(2)14(19-16(22)20(6)17(3,4)5)15(21)12-7-9-13(18)10-8-12/h7-11,14H,1-6H3,(H,19,22)
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n/an/a 631n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of Zn2+-induced intracellular calcium flux by FLIPR assay

Bioorg Med Chem Lett 22: 5485-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.032
BindingDB Entry DOI: 10.7270/Q2RR20B8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50395930
PNG
(CHEMBL2164559)
Show SMILES FC(F)(F)Oc1cccc(c1)-c1nc(no1)-c1ccccn1
Show InChI InChI=1S/C14H8F3N3O2/c15-14(16,17)21-10-5-3-4-9(8-10)13-19-12(20-22-13)11-6-1-2-7-18-11/h1-8H
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n/an/a 700n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...

Bioorg Med Chem Lett 22: 6974-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.100
BindingDB Entry DOI: 10.7270/Q2BP03WH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM50390480
PNG
(CHEMBL2071588)
Show SMILES CC(C)C(NC(=O)OC(C)(C)C)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H22ClNO3/c1-10(2)13(18-15(20)21-16(3,4)5)14(19)11-6-8-12(17)9-7-11/h6-10,13H,1-5H3,(H,18,20)
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n/an/a 794n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of Zn2+-induced intracellular calcium flux by FLIPR assay

Bioorg Med Chem Lett 22: 5485-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.032
BindingDB Entry DOI: 10.7270/Q2RR20B8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50395928
PNG
(CHEMBL2164539)
Show SMILES Fc1cccc(c1)-c1nc(no1)-c1ccccn1
Show InChI InChI=1S/C13H8FN3O/c14-10-5-3-4-9(8-10)13-16-12(17-18-13)11-6-1-2-7-15-11/h1-8H
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n/an/a 845n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...

Bioorg Med Chem Lett 22: 6974-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.100
BindingDB Entry DOI: 10.7270/Q2BP03WH
More data for this
Ligand-Target Pair
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