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PubMed code 27994742

Compile data set for download or QSAR
Found 34 hits of Enzyme Inhibition Constant Data   
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


(Rattus norvegicus (Rat))
BDBM50169542
PNG
(CHEMBL3804846)
Show SMILES Fc1ccc(F)c(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1
Show InChI InChI=1/C22H14F2N2O2/c23-17-8-9-19(24)18(11-17)21-20(26-22(27)28-21)16-10-15(12-25-13-16)7-6-14-4-2-1-3-5-14/h1-5,8-13,20-21H,(H,26,27)/t20-,21-/s2
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [3H]-MethoxyPEPy from mGlu5 receptor in primary rat astrocytes after 8 hrs by micro beta scintillation counting analysis


ACS Med Chem Lett 7: 1082-1086 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00292
BindingDB Entry DOI: 10.7270/Q2BK1FBT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50169542
PNG
(CHEMBL3804846)
Show SMILES Fc1ccc(F)c(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1
Show InChI InChI=1/C22H14F2N2O2/c23-17-8-9-19(24)18(11-17)21-20(26-22(27)28-21)16-10-15(12-25-13-16)7-6-14-4-2-1-3-5-14/h1-5,8-13,20-21H,(H,26,27)/t20-,21-/s2
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [3H]-MethoxyPEPy from human mGlu5 receptor expressed in HEK293 cell membranes after 8 hrs by micro beta scintillation counting analys...


ACS Med Chem Lett 7: 1082-1086 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00292
BindingDB Entry DOI: 10.7270/Q2BK1FBT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50201541
PNG
(CHEMBL3966581)
Show SMILES Fc1cccc(c1)-c1nc2[nH]nc(-c3cccc(Cl)c3)c2c(C2CC(F)(F)C2)c1C#N
Show InChI InChI=1S/C23H14ClF3N4/c24-15-5-1-3-12(7-15)21-19-18(14-9-23(26,27)10-14)17(11-28)20(29-22(19)31-30-21)13-4-2-6-16(25)8-13/h1-8,14H,9-10H2,(H,29,30,31)
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n/an/a 19n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [3H]-MethoxyPEPy from mGlu5 receptor in primary rat astrocytes after 8 hrs by micro beta scintillation counting analysis


ACS Med Chem Lett 7: 1082-1086 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00292
BindingDB Entry DOI: 10.7270/Q2BK1FBT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50201558
PNG
(CHEMBL3895289)
Show SMILES Clc1cccc(c1)-c1n[nH]c2nc(-c3ccccc3)c(C#N)c(C3CC3)c12
Show InChI InChI=1S/C22H15ClN4/c23-16-8-4-7-15(11-16)21-19-18(13-9-10-13)17(12-24)20(25-22(19)27-26-21)14-5-2-1-3-6-14/h1-8,11,13H,9-10H2,(H,25,26,27)
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n/an/a 27n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [3H]-MethoxyPEPy from mGlu5 receptor in primary rat astrocytes after 8 hrs by micro beta scintillation counting analysis


ACS Med Chem Lett 7: 1082-1086 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00292
BindingDB Entry DOI: 10.7270/Q2BK1FBT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50201558
PNG
(CHEMBL3895289)
Show SMILES Clc1cccc(c1)-c1n[nH]c2nc(-c3ccccc3)c(C#N)c(C3CC3)c12
Show InChI InChI=1S/C22H15ClN4/c23-16-8-4-7-15(11-16)21-19-18(13-9-10-13)17(12-24)20(25-22(19)27-26-21)14-5-2-1-3-6-14/h1-8,11,13H,9-10H2,(H,25,26,27)
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n/an/a 66n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [3H]-MethoxyPEPy from human mGlu5 receptor expressed in HEK293 cell membranes after 8 hrs by micro beta scintillation counting analys...


ACS Med Chem Lett 7: 1082-1086 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00292
BindingDB Entry DOI: 10.7270/Q2BK1FBT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50201538
PNG
(CHEMBL3891001)
Show SMILES COc1cc(ccc1Cl)-c1n[nH]c2nc(-c3ccccc3)c(C#N)c(C3CC3)c12
Show InChI InChI=1S/C23H17ClN4O/c1-29-18-11-15(9-10-17(18)24)22-20-19(13-7-8-13)16(12-25)21(26-23(20)28-27-22)14-5-3-2-4-6-14/h2-6,9-11,13H,7-8H2,1H3,(H,26,27,28)
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n/an/a 77n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [3H]-MethoxyPEPy from human mGlu5 receptor expressed in HEK293 cell membranes after 8 hrs by micro beta scintillation counting analys...


ACS Med Chem Lett 7: 1082-1086 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00292
BindingDB Entry DOI: 10.7270/Q2BK1FBT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50201541
PNG
(CHEMBL3966581)
Show SMILES Fc1cccc(c1)-c1nc2[nH]nc(-c3cccc(Cl)c3)c2c(C2CC(F)(F)C2)c1C#N
Show InChI InChI=1S/C23H14ClF3N4/c24-15-5-1-3-12(7-15)21-19-18(14-9-23(26,27)10-14)17(11-28)20(29-22(19)31-30-21)13-4-2-6-16(25)8-13/h1-8,14H,9-10H2,(H,29,30,31)
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n/an/a 87n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [3H]-MethoxyPEPy from human mGlu5 receptor expressed in HEK293 cell membranes after 8 hrs by micro beta scintillation counting analys...


ACS Med Chem Lett 7: 1082-1086 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00292
BindingDB Entry DOI: 10.7270/Q2BK1FBT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50201538
PNG
(CHEMBL3891001)
Show SMILES COc1cc(ccc1Cl)-c1n[nH]c2nc(-c3ccccc3)c(C#N)c(C3CC3)c12
Show InChI InChI=1S/C23H17ClN4O/c1-29-18-11-15(9-10-17(18)24)22-20-19(13-7-8-13)16(12-25)21(26-23(20)28-27-22)14-5-3-2-4-6-14/h2-6,9-11,13H,7-8H2,1H3,(H,26,27,28)
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n/an/a 240n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [3H]-MethoxyPEPy from mGlu5 receptor in primary rat astrocytes after 8 hrs by micro beta scintillation counting analysis


ACS Med Chem Lett 7: 1082-1086 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00292
BindingDB Entry DOI: 10.7270/Q2BK1FBT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50156070
PNG
(CHEMBL366217 | N-(4-Chloro-2-[(1,3-dioxo-1,3-dihyd...)
Show SMILES Oc1ccccc1C(=O)Nc1ccc(Cl)cc1CN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C22H15ClN2O4/c23-14-9-10-18(24-20(27)17-7-3-4-8-19(17)26)13(11-14)12-25-21(28)15-5-1-2-6-16(15)22(25)29/h1-11,26H,12H2,(H,24,27)
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n/an/a 930n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [3H]-MethoxyPEPy from mGlu5 receptor in primary rat astrocytes after 8 hrs by micro beta scintillation counting analysis


ACS Med Chem Lett 7: 1082-1086 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00292
BindingDB Entry DOI: 10.7270/Q2BK1FBT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50156070
PNG
(CHEMBL366217 | N-(4-Chloro-2-[(1,3-dioxo-1,3-dihyd...)
Show SMILES Oc1ccccc1C(=O)Nc1ccc(Cl)cc1CN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C22H15ClN2O4/c23-14-9-10-18(24-20(27)17-7-3-4-8-19(17)26)13(11-14)12-25-21(28)15-5-1-2-6-16(15)22(25)29/h1-11,26H,12H2,(H,24,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [3H]-MethoxyPEPy from human mGlu5 receptor expressed in HEK293 cell membranes after 8 hrs by micro beta scintillation counting analys...


ACS Med Chem Lett 7: 1082-1086 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00292
BindingDB Entry DOI: 10.7270/Q2BK1FBT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50201559
PNG
(CHEMBL3928906)
Show SMILES Clc1ccc(cc1)-c1n[nH]c2nc(-c3ccccc3)c(C#N)c(-c3ccccc3)c12
Show InChI InChI=1S/C25H15ClN4/c26-19-13-11-18(12-14-19)24-22-21(16-7-3-1-4-8-16)20(15-27)23(28-25(22)30-29-24)17-9-5-2-6-10-17/h1-14H,(H,28,29,30)
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n/an/an/an/a 190n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Positive allosteric modulation of mGlu5 receptor (unknown origin) assessed as increase in L-glutamate-induced calcium release after 60 mins by cell b...


ACS Med Chem Lett 7: 1082-1086 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00292
BindingDB Entry DOI: 10.7270/Q2BK1FBT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50201561
PNG
(CHEMBL3928135)
Show SMILES Clc1cccc(c1)-c1nc2[nH]nc(-c3ccccc3)c2c(-c2ccccc2)c1C#N
Show InChI InChI=1S/C25H15ClN4/c26-19-13-7-12-18(14-19)23-20(15-27)21(16-8-3-1-4-9-16)22-24(29-30-25(22)28-23)17-10-5-2-6-11-17/h1-14H,(H,28,29,30)
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n/an/an/an/a 150n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Positive allosteric modulation of mGlu5 receptor (unknown origin) assessed as increase in L-glutamate-induced calcium release after 60 mins by cell b...


ACS Med Chem Lett 7: 1082-1086 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00292
BindingDB Entry DOI: 10.7270/Q2BK1FBT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50201548
PNG
(CHEMBL3910009)
Show SMILES Clc1ccc(cc1)-c1nc2[nH]nc(-c3ccccc3)c2c(-c2ccccc2)c1C#N
Show InChI InChI=1S/C25H15ClN4/c26-19-13-11-18(12-14-19)23-20(15-27)21(16-7-3-1-4-8-16)22-24(29-30-25(22)28-23)17-9-5-2-6-10-17/h1-14H,(H,28,29,30)
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n/an/an/an/a 1.40E+3n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Positive allosteric modulation of mGlu5 receptor (unknown origin) assessed as increase in L-glutamate-induced calcium release after 60 mins by cell b...


ACS Med Chem Lett 7: 1082-1086 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00292
BindingDB Entry DOI: 10.7270/Q2BK1FBT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50201551
PNG
(CHEMBL3947791)
Show SMILES CC(C)c1n[nH]c2nc(-c3ccccc3)c(C#N)c(-c3ccccc3)c12
Show InChI InChI=1S/C22H18N4/c1-14(2)20-19-18(15-9-5-3-6-10-15)17(13-23)21(24-22(19)26-25-20)16-11-7-4-8-12-16/h3-12,14H,1-2H3,(H,24,25,26)
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n/an/an/an/a 240n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Positive allosteric modulation of mGlu5 receptor (unknown origin) assessed as increase in L-glutamate-induced calcium release after 60 mins by cell b...


ACS Med Chem Lett 7: 1082-1086 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00292
BindingDB Entry DOI: 10.7270/Q2BK1FBT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50201537
PNG
(CHEMBL3910313)
Show SMILES N#Cc1c(cc2[nH]nc(-c3ccccc3)c2c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C26H17N3/c27-17-22-21(18-10-4-1-5-11-18)16-23-25(24(22)19-12-6-2-7-13-19)26(29-28-23)20-14-8-3-9-15-20/h1-16H,(H,28,29)
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n/an/an/an/a 1.30E+3n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Positive allosteric modulation of mGlu5 receptor (unknown origin) assessed as increase in L-glutamate-induced calcium release after 60 mins by cell b...


ACS Med Chem Lett 7: 1082-1086 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00292
BindingDB Entry DOI: 10.7270/Q2BK1FBT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50201540
PNG
(CHEMBL3929981)
Show SMILES FC1(F)CC(C1)c1c(C#N)c(nc2[nH]nc(-c3cccc(Cl)c3)c12)-c1ccccc1
Show InChI InChI=1S/C23H15ClF2N4/c24-16-8-4-7-14(9-16)21-19-18(15-10-23(25,26)11-15)17(12-27)20(28-22(19)30-29-21)13-5-2-1-3-6-13/h1-9,15H,10-11H2,(H,28,29,30)
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n/an/an/an/a 31n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Positive allosteric modulation of mGlu5 receptor (unknown origin) assessed as increase in L-glutamate-induced calcium release after 60 mins by cell b...


ACS Med Chem Lett 7: 1082-1086 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00292
BindingDB Entry DOI: 10.7270/Q2BK1FBT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50201542
PNG
(CHEMBL3956458)
Show SMILES Clc1cccc(c1)-c1n[nH]c2nc(-c3ccccc3)c(C#N)c(-c3ccccc3)c12
Show InChI InChI=1S/C25H15ClN4/c26-19-13-7-12-18(14-19)24-22-21(16-8-3-1-4-9-16)20(15-27)23(28-25(22)30-29-24)17-10-5-2-6-11-17/h1-14H,(H,28,29,30)
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n/an/an/an/a 69n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Positive allosteric modulation of mGlu5 receptor (unknown origin) assessed as increase in L-glutamate-induced calcium release after 60 mins by cell b...


ACS Med Chem Lett 7: 1082-1086 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00292
BindingDB Entry DOI: 10.7270/Q2BK1FBT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50201549
PNG
(CHEMBL3953326)
Show SMILES N#Cc1c(nc2[nH]nc(-c3ccccc3)c2c1-c1ccccc1)C1CC1
Show InChI InChI=1S/C22H16N4/c23-13-17-18(14-7-3-1-4-8-14)19-21(15-9-5-2-6-10-15)25-26-22(19)24-20(17)16-11-12-16/h1-10,16H,11-12H2,(H,24,25,26)
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n/an/an/an/a>3.00E+3n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Positive allosteric modulation of mGlu5 receptor (unknown origin) assessed as increase in L-glutamate-induced calcium release after 60 mins by cell b...


ACS Med Chem Lett 7: 1082-1086 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00292
BindingDB Entry DOI: 10.7270/Q2BK1FBT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50201550
PNG
(CHEMBL3920005)
Show SMILES CC(C)(C)c1n[nH]c2nc(-c3ccccc3)c(C#N)c(-c3ccccc3)c12
Show InChI InChI=1S/C23H20N4/c1-23(2,3)21-19-18(15-10-6-4-7-11-15)17(14-24)20(25-22(19)27-26-21)16-12-8-5-9-13-16/h4-13H,1-3H3,(H,25,26,27)
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n/an/an/an/a 83n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Positive allosteric modulation of mGlu5 receptor (unknown origin) assessed as increase in L-glutamate-induced calcium release after 60 mins by cell b...


ACS Med Chem Lett 7: 1082-1086 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00292
BindingDB Entry DOI: 10.7270/Q2BK1FBT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50201562
PNG
(CHEMBL3911049)
Show SMILES N#Cc1c(nc2[nH]nc(C3CC3)c2c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H16N4/c23-13-17-18(14-7-3-1-4-8-14)19-21(16-11-12-16)25-26-22(19)24-20(17)15-9-5-2-6-10-15/h1-10,16H,11-12H2,(H,24,25,26)
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n/an/an/an/a 220n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Positive allosteric modulation of mGlu5 receptor (unknown origin) assessed as increase in L-glutamate-induced calcium release after 60 mins by cell b...


ACS Med Chem Lett 7: 1082-1086 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00292
BindingDB Entry DOI: 10.7270/Q2BK1FBT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50201543
PNG
(CHEMBL3937112)
Show SMILES Fc1c(nc2[nH]nc(-c3ccccc3)c2c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H16FN3/c25-21-19(16-10-4-1-5-11-16)20-22(17-12-6-2-7-13-17)27-28-24(20)26-23(21)18-14-8-3-9-15-18/h1-15H,(H,26,27,28)
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n/an/an/an/a 140n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Positive allosteric modulation of mGlu5 receptor (unknown origin) assessed as increase in L-glutamate-induced calcium release after 60 mins by cell b...


ACS Med Chem Lett 7: 1082-1086 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00292
BindingDB Entry DOI: 10.7270/Q2BK1FBT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50201547
PNG
(CHEMBL3980422)
Show SMILES c1ccc(cc1)-c1n[nH]c2nc(cc(-c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C24H17N3/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)25-24-22(20)23(26-27-24)19-14-8-3-9-15-19/h1-16H,(H,25,26,27)
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n/an/an/an/a 330n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Positive allosteric modulation of mGlu5 receptor (unknown origin) assessed as increase in L-glutamate-induced calcium release after 60 mins by cell b...


ACS Med Chem Lett 7: 1082-1086 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00292
BindingDB Entry DOI: 10.7270/Q2BK1FBT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50201556
PNG
(CHEMBL3980257)
Show SMILES Fc1ccc(cc1Cl)-c1n[nH]c2nc(-c3ccccc3)c(C#N)c(C3CC3)c12
Show InChI InChI=1S/C22H14ClFN4/c23-16-10-14(8-9-17(16)24)21-19-18(12-6-7-12)15(11-25)20(26-22(19)28-27-21)13-4-2-1-3-5-13/h1-5,8-10,12H,6-7H2,(H,26,27,28)
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n/an/an/an/a 21n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Positive allosteric modulation of mGlu5 receptor (unknown origin) assessed as increase in L-glutamate-induced calcium release after 60 mins by cell b...


ACS Med Chem Lett 7: 1082-1086 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00292
BindingDB Entry DOI: 10.7270/Q2BK1FBT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50201553
PNG
(CHEMBL3939007)
Show SMILES Cc1n[nH]c2nc(-c3ccccc3)c(C#N)c(-c3ccccc3)c12
Show InChI InChI=1S/C20H14N4/c1-13-17-18(14-8-4-2-5-9-14)16(12-21)19(22-20(17)24-23-13)15-10-6-3-7-11-15/h2-11H,1H3,(H,22,23,24)
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n/an/an/an/a 530n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Positive allosteric modulation of mGlu5 receptor (unknown origin) assessed as increase in L-glutamate-induced calcium release after 60 mins by cell b...


ACS Med Chem Lett 7: 1082-1086 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00292
BindingDB Entry DOI: 10.7270/Q2BK1FBT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50201539
PNG
(CHEMBL3892904)
Show SMILES N#Cc1c(nc2[nH]nc(-c3ccccc3)c2c1C1CC1)-c1ccccc1
Show InChI InChI=1S/C22H16N4/c23-13-17-18(14-11-12-14)19-21(16-9-5-2-6-10-16)25-26-22(19)24-20(17)15-7-3-1-4-8-15/h1-10,14H,11-12H2,(H,24,25,26)
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n/an/an/an/a 45n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Positive allosteric modulation of mGlu5 receptor (unknown origin) assessed as increase in L-glutamate-induced calcium release after 60 mins by cell b...


ACS Med Chem Lett 7: 1082-1086 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00292
BindingDB Entry DOI: 10.7270/Q2BK1FBT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50201563
PNG
(CHEMBL3920063)
Show SMILES CCCc1c(C#N)c(nc2[nH]nc(-c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C22H18N4/c1-2-9-17-18(14-23)20(15-10-5-3-6-11-15)24-22-19(17)21(25-26-22)16-12-7-4-8-13-16/h3-8,10-13H,2,9H2,1H3,(H,24,25,26)
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n/an/an/an/a 53n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Positive allosteric modulation of mGlu5 receptor (unknown origin) assessed as increase in L-glutamate-induced calcium release after 60 mins by cell b...


ACS Med Chem Lett 7: 1082-1086 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00292
BindingDB Entry DOI: 10.7270/Q2BK1FBT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50201560
PNG
(CHEMBL3891160)
Show SMILES N#Cc1c(nc2[nH]cc(-c3ccccc3)c2c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C26H17N3/c27-16-21-23(19-12-6-2-7-13-19)24-22(18-10-4-1-5-11-18)17-28-26(24)29-25(21)20-14-8-3-9-15-20/h1-15,17H,(H,28,29)
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n/an/an/an/a 49n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Positive allosteric modulation of mGlu5 receptor (unknown origin) assessed as increase in L-glutamate-induced calcium release after 60 mins by cell b...


ACS Med Chem Lett 7: 1082-1086 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00292
BindingDB Entry DOI: 10.7270/Q2BK1FBT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50201557
PNG
(CHEMBL3951341)
Show SMILES FC(F)(F)c1cc(ccc1Cl)-c1n[nH]c2nc(-c3ccccc3)c(C#N)c(C3CC3)c12
Show InChI InChI=1S/C23H14ClF3N4/c24-17-9-8-14(10-16(17)23(25,26)27)21-19-18(12-6-7-12)15(11-28)20(29-22(19)31-30-21)13-4-2-1-3-5-13/h1-5,8-10,12H,6-7H2,(H,29,30,31)
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n/an/an/an/a 47n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Positive allosteric modulation of mGlu5 receptor (unknown origin) assessed as increase in L-glutamate-induced calcium release after 60 mins by cell b...


ACS Med Chem Lett 7: 1082-1086 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00292
BindingDB Entry DOI: 10.7270/Q2BK1FBT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50201555
PNG
(CHEMBL3902020)
Show SMILES CC(C)(C)c1n[nH]c2nc(-c3ccccc3)c(C#N)c(CCC(F)(F)F)c12
Show InChI InChI=1S/C20H19F3N4/c1-19(2,3)17-15-13(9-10-20(21,22)23)14(11-24)16(25-18(15)27-26-17)12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3,(H,25,26,27)
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n/an/an/an/a 51n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Positive allosteric modulation of mGlu5 receptor (unknown origin) assessed as increase in L-glutamate-induced calcium release after 60 mins by cell b...


ACS Med Chem Lett 7: 1082-1086 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00292
BindingDB Entry DOI: 10.7270/Q2BK1FBT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50201541
PNG
(CHEMBL3966581)
Show SMILES Fc1cccc(c1)-c1nc2[nH]nc(-c3cccc(Cl)c3)c2c(C2CC(F)(F)C2)c1C#N
Show InChI InChI=1S/C23H14ClF3N4/c24-15-5-1-3-12(7-15)21-19-18(14-9-23(26,27)10-14)17(11-28)20(29-22(19)31-30-21)13-4-2-6-16(25)8-13/h1-8,14H,9-10H2,(H,29,30,31)
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n/an/an/an/a 71n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Positive allosteric modulation of mGlu5 receptor (unknown origin) assessed as increase in L-glutamate-induced calcium release after 60 mins by cell b...


ACS Med Chem Lett 7: 1082-1086 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00292
BindingDB Entry DOI: 10.7270/Q2BK1FBT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50201544
PNG
(CHEMBL3972213)
Show SMILES N#Cc1c(nc2[nH]nc(-c3ccccc3)c2c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C25H16N4/c26-16-20-21(17-10-4-1-5-11-17)22-24(19-14-8-3-9-15-19)28-29-25(22)27-23(20)18-12-6-2-7-13-18/h1-15H,(H,27,28,29)
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n/an/an/an/a 120n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Positive allosteric modulation of mGlu5 receptor (unknown origin) assessed as increase in L-glutamate-induced calcium release after 60 mins by cell b...


ACS Med Chem Lett 7: 1082-1086 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00292
BindingDB Entry DOI: 10.7270/Q2BK1FBT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50201558
PNG
(CHEMBL3895289)
Show SMILES Clc1cccc(c1)-c1n[nH]c2nc(-c3ccccc3)c(C#N)c(C3CC3)c12
Show InChI InChI=1S/C22H15ClN4/c23-16-8-4-7-15(11-16)21-19-18(13-9-10-13)17(12-24)20(25-22(19)27-26-21)14-5-2-1-3-6-14/h1-8,11,13H,9-10H2,(H,25,26,27)
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n/an/an/an/a 30n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Positive allosteric modulation of mGlu5 receptor (unknown origin) assessed as increase in L-glutamate-induced calcium release after 60 mins by cell b...


ACS Med Chem Lett 7: 1082-1086 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00292
BindingDB Entry DOI: 10.7270/Q2BK1FBT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50201538
PNG
(CHEMBL3891001)
Show SMILES COc1cc(ccc1Cl)-c1n[nH]c2nc(-c3ccccc3)c(C#N)c(C3CC3)c12
Show InChI InChI=1S/C23H17ClN4O/c1-29-18-11-15(9-10-17(18)24)22-20-19(13-7-8-13)16(12-25)21(26-23(20)28-27-22)14-5-3-2-4-6-14/h2-6,9-11,13H,7-8H2,1H3,(H,26,27,28)
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n/an/an/an/a 110n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Positive allosteric modulation of mGlu5 receptor (unknown origin) assessed as increase in L-glutamate-induced calcium release after 60 mins by cell b...


ACS Med Chem Lett 7: 1082-1086 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00292
BindingDB Entry DOI: 10.7270/Q2BK1FBT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50201546
PNG
(CHEMBL3919241)
Show SMILES Cn1nc(-c2ccccc2)c2c(-c3ccccc3)c(C#N)c(nc12)-c1ccccc1
Show InChI InChI=1S/C26H18N4/c1-30-26-23(25(29-30)20-15-9-4-10-16-20)22(18-11-5-2-6-12-18)21(17-27)24(28-26)19-13-7-3-8-14-19/h2-16H,1H3
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n/an/an/an/a 2.36E+3n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Positive allosteric modulation of mGlu5 receptor (unknown origin) assessed as increase in L-glutamate-induced calcium release after 60 mins by cell b...


ACS Med Chem Lett 7: 1082-1086 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00292
BindingDB Entry DOI: 10.7270/Q2BK1FBT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%