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Compile Data Set for Download or QSAR

Found 145 hits with Last Name = 'metts' and Initial = 'am'   
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
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50143061
PNG
(CHEMBL3759901)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2ccc(Cl)cc2C1=O
Show InChI InChI=1S/C11H8N6O3/c12-11-13-8-7(9(18)14-11)15-17(16-8)6-3-1-2-5(4-6)10(19)20/h1-4H,(H,19,20)(H3,12,13,14,16,18)
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n/an/a 6.30E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


Bioorg Med Chem Lett 26: 751-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.104
BindingDB Entry DOI: 10.7270/Q261124T
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50143059
PNG
(CHEMBL3758746)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2ccc(C)cc2C1=O
Show InChI InChI=1S/C12H11Cl2N5O2/c1-6-10(11(20)17-12(15)16-6)19(18-21)5-7-2-3-8(13)9(14)4-7/h2-4H,5H2,1H3,(H3,15,16,17,20)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


Bioorg Med Chem Lett 26: 751-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.104
BindingDB Entry DOI: 10.7270/Q261124T
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50143063
PNG
(CHEMBL3758465)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2cccc(F)c2C1=O
Show InChI InChI=1S/C20H13F6N7O2/c21-19(22,23)11-4-9(5-12(7-11)20(24,25)26)8-28-16(34)10-2-1-3-13(6-10)33-31-14-15(32-33)29-18(27)30-17(14)35/h1-7H,8H2,(H,28,34)(H3,27,29,30,32,35)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


Bioorg Med Chem Lett 26: 751-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.104
BindingDB Entry DOI: 10.7270/Q261124T
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50143059
PNG
(CHEMBL3758746)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2ccc(C)cc2C1=O
Show InChI InChI=1S/C12H11Cl2N5O2/c1-6-10(11(20)17-12(15)16-6)19(18-21)5-7-2-3-8(13)9(14)4-7/h2-4H,5H2,1H3,(H3,15,16,17,20)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 26: 751-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.104
BindingDB Entry DOI: 10.7270/Q261124T
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50143060
PNG
(CHEMBL3758305)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2cccc(C)c2C1=O
Show InChI InChI=1S/C7H9N3O3/c1-2-13-6(12)4-3-9-7(8)10-5(4)11/h3H,2H2,1H3,(H3,8,9,10,11)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 26: 751-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.104
BindingDB Entry DOI: 10.7270/Q261124T
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50143061
PNG
(CHEMBL3759901)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2ccc(Cl)cc2C1=O
Show InChI InChI=1S/C11H8N6O3/c12-11-13-8-7(9(18)14-11)15-17(16-8)6-3-1-2-5(4-6)10(19)20/h1-4H,(H,19,20)(H3,12,13,14,16,18)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 26: 751-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.104
BindingDB Entry DOI: 10.7270/Q261124T
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50143062
PNG
(CHEMBL3758435)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2ccc(F)cc2C1=O
Show InChI InChI=1S/C11H10BrN3O/c1-15-10(16)8(12)9(14-11(15)13)7-5-3-2-4-6-7/h2-6H,1H3,(H2,13,14)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 26: 751-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.104
BindingDB Entry DOI: 10.7270/Q261124T
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50143063
PNG
(CHEMBL3758465)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2cccc(F)c2C1=O
Show InChI InChI=1S/C20H13F6N7O2/c21-19(22,23)11-4-9(5-12(7-11)20(24,25)26)8-28-16(34)10-2-1-3-13(6-10)33-31-14-15(32-33)29-18(27)30-17(14)35/h1-7H,8H2,(H,28,34)(H3,27,29,30,32,35)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 26: 751-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.104
BindingDB Entry DOI: 10.7270/Q261124T
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50143059
PNG
(CHEMBL3758746)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2ccc(C)cc2C1=O
Show InChI InChI=1S/C12H11Cl2N5O2/c1-6-10(11(20)17-12(15)16-6)19(18-21)5-7-2-3-8(13)9(14)4-7/h2-4H,5H2,1H3,(H3,15,16,17,20)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


Bioorg Med Chem Lett 26: 751-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.104
BindingDB Entry DOI: 10.7270/Q261124T
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50143060
PNG
(CHEMBL3758305)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2cccc(C)c2C1=O
Show InChI InChI=1S/C7H9N3O3/c1-2-13-6(12)4-3-9-7(8)10-5(4)11/h3H,2H2,1H3,(H3,8,9,10,11)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


Bioorg Med Chem Lett 26: 751-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.104
BindingDB Entry DOI: 10.7270/Q261124T
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50143061
PNG
(CHEMBL3759901)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2ccc(Cl)cc2C1=O
Show InChI InChI=1S/C11H8N6O3/c12-11-13-8-7(9(18)14-11)15-17(16-8)6-3-1-2-5(4-6)10(19)20/h1-4H,(H,19,20)(H3,12,13,14,16,18)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


Bioorg Med Chem Lett 26: 751-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.104
BindingDB Entry DOI: 10.7270/Q261124T
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50143062
PNG
(CHEMBL3758435)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2ccc(F)cc2C1=O
Show InChI InChI=1S/C11H10BrN3O/c1-15-10(16)8(12)9(14-11(15)13)7-5-3-2-4-6-7/h2-6H,1H3,(H2,13,14)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


Bioorg Med Chem Lett 26: 751-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.104
BindingDB Entry DOI: 10.7270/Q261124T
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50143063
PNG
(CHEMBL3758465)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2cccc(F)c2C1=O
Show InChI InChI=1S/C20H13F6N7O2/c21-19(22,23)11-4-9(5-12(7-11)20(24,25)26)8-28-16(34)10-2-1-3-13(6-10)33-31-14-15(32-33)29-18(27)30-17(14)35/h1-7H,8H2,(H,28,34)(H3,27,29,30,32,35)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


Bioorg Med Chem Lett 26: 751-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.104
BindingDB Entry DOI: 10.7270/Q261124T
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50143059
PNG
(CHEMBL3758746)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2ccc(C)cc2C1=O
Show InChI InChI=1S/C12H11Cl2N5O2/c1-6-10(11(20)17-12(15)16-6)19(18-21)5-7-2-3-8(13)9(14)4-7/h2-4H,5H2,1H3,(H3,15,16,17,20)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem Lett 26: 751-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.104
BindingDB Entry DOI: 10.7270/Q261124T
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50143060
PNG
(CHEMBL3758305)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2cccc(C)c2C1=O
Show InChI InChI=1S/C7H9N3O3/c1-2-13-6(12)4-3-9-7(8)10-5(4)11/h3H,2H2,1H3,(H3,8,9,10,11)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem Lett 26: 751-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.104
BindingDB Entry DOI: 10.7270/Q261124T
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50143061
PNG
(CHEMBL3759901)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2ccc(Cl)cc2C1=O
Show InChI InChI=1S/C11H8N6O3/c12-11-13-8-7(9(18)14-11)15-17(16-8)6-3-1-2-5(4-6)10(19)20/h1-4H,(H,19,20)(H3,12,13,14,16,18)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem Lett 26: 751-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.104
BindingDB Entry DOI: 10.7270/Q261124T
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50143062
PNG
(CHEMBL3758435)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2ccc(F)cc2C1=O
Show InChI InChI=1S/C11H10BrN3O/c1-15-10(16)8(12)9(14-11(15)13)7-5-3-2-4-6-7/h2-6H,1H3,(H2,13,14)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem Lett 26: 751-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.104
BindingDB Entry DOI: 10.7270/Q261124T
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50143062
PNG
(CHEMBL3758435)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2ccc(F)cc2C1=O
Show InChI InChI=1S/C11H10BrN3O/c1-15-10(16)8(12)9(14-11(15)13)7-5-3-2-4-6-7/h2-6H,1H3,(H2,13,14)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


Bioorg Med Chem Lett 26: 751-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.104
BindingDB Entry DOI: 10.7270/Q261124T
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50143063
PNG
(CHEMBL3758465)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2cccc(F)c2C1=O
Show InChI InChI=1S/C20H13F6N7O2/c21-19(22,23)11-4-9(5-12(7-11)20(24,25)26)8-28-16(34)10-2-1-3-13(6-10)33-31-14-15(32-33)29-18(27)30-17(14)35/h1-7H,8H2,(H,28,34)(H3,27,29,30,32,35)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem Lett 26: 751-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.104
BindingDB Entry DOI: 10.7270/Q261124T
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50143060
PNG
(CHEMBL3758305)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2cccc(C)c2C1=O
Show InChI InChI=1S/C7H9N3O3/c1-2-13-6(12)4-3-9-7(8)10-5(4)11/h3H,2H2,1H3,(H3,8,9,10,11)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


Bioorg Med Chem Lett 26: 751-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.104
BindingDB Entry DOI: 10.7270/Q261124T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50143076
PNG
(CHEMBL3758587)
Show SMILES Cc1ocnc1C(=O)Nc1ccc(N2C(=O)c3ccc(C)cc3C2=O)c(Cl)c1
Show InChI InChI=1S/C20H14ClN3O4/c1-10-3-5-13-14(7-10)20(27)24(19(13)26)16-6-4-12(8-15(16)21)23-18(25)17-11(2)28-9-22-17/h3-9H,1-2H3,(H,23,25)
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n/an/an/an/a 198n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu4 receptor by cell based calcium mobilization


Bioorg Med Chem Lett 26: 751-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.104
BindingDB Entry DOI: 10.7270/Q261124T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50143081
PNG
(CHEMBL3759028)
Show SMILES Cc1cn[nH]c1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(Cl)c1
Show InChI InChI=1S/C19H12ClFN4O3/c1-9-8-22-24-16(9)17(26)23-10-5-6-14(12(20)7-10)25-18(27)11-3-2-4-13(21)15(11)19(25)28/h2-8H,1H3,(H,22,24)(H,23,26)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu4 receptor by cell based calcium mobilization


Bioorg Med Chem Lett 26: 751-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.104
BindingDB Entry DOI: 10.7270/Q261124T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50143083
PNG
(CHEMBL3759424)
Show SMILES Cc1ocnc1C(=O)Nc1ccc(N2C(=O)c3cccc(C)c3C2=O)c(Cl)c1
Show InChI InChI=1S/C20H14ClN3O4/c1-10-4-3-5-13-16(10)20(27)24(19(13)26)15-7-6-12(8-14(15)21)23-18(25)17-11(2)28-9-22-17/h3-9H,1-2H3,(H,23,25)
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n/an/an/an/a 519n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu4 receptor by cell based calcium mobilization


Bioorg Med Chem Lett 26: 751-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.104
BindingDB Entry DOI: 10.7270/Q261124T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50143085
PNG
(CHEMBL3759846)
Show SMILES Cc1cn[nH]c1C(=O)Nc1ccc(N2C(=O)c3cccnc3C2=O)c(Cl)c1
Show InChI InChI=1S/C18H12ClN5O3/c1-9-8-21-23-14(9)16(25)22-10-4-5-13(12(19)7-10)24-17(26)11-3-2-6-20-15(11)18(24)27/h2-8H,1H3,(H,21,23)(H,22,25)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu4 receptor by cell based calcium mobilization


Bioorg Med Chem Lett 26: 751-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.104
BindingDB Entry DOI: 10.7270/Q261124T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50143086
PNG
(CHEMBL3759289)
Show SMILES Cc1ocnc1C(=O)Nc1ccc(N2C(=O)c3ccc(Cl)cc3C2=O)c(Cl)c1
Show InChI InChI=1S/C19H11Cl2N3O4/c1-9-16(22-8-28-9)17(25)23-11-3-5-15(14(21)7-11)24-18(26)12-4-2-10(20)6-13(12)19(24)27/h2-8H,1H3,(H,23,25)
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n/an/an/an/a 405n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu4 receptor by cell based calcium mobilization


Bioorg Med Chem Lett 26: 751-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.104
BindingDB Entry DOI: 10.7270/Q261124T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50143144
PNG
(CHEMBL3759867)
Show SMILES Cc1ocnc1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c(Cl)c1
Show InChI InChI=1S/C19H11Cl2N3O4/c1-9-16(22-8-28-9)17(25)23-10-5-6-14(13(21)7-10)24-18(26)11-3-2-4-12(20)15(11)19(24)27/h2-8H,1H3,(H,23,25)
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n/an/an/an/a 983n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu4 receptor by cell based calcium mobilization


Bioorg Med Chem Lett 26: 751-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.104
BindingDB Entry DOI: 10.7270/Q261124T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50143145
PNG
(CHEMBL3759381)
Show SMILES Cc1ocnc1C(=O)Nc1ccc(N2C(=O)c3ccc(F)cc3C2=O)c(Cl)c1
Show InChI InChI=1S/C19H11ClFN3O4/c1-9-16(22-8-28-9)17(25)23-11-3-5-15(14(20)7-11)24-18(26)12-4-2-10(21)6-13(12)19(24)27/h2-8H,1H3,(H,23,25)
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n/an/an/an/a 642n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu4 receptor by cell based calcium mobilization


Bioorg Med Chem Lett 26: 751-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.104
BindingDB Entry DOI: 10.7270/Q261124T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50143146
PNG
(CHEMBL3759878)
Show SMILES Cc1ocnc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(Cl)c1
Show InChI InChI=1S/C19H11ClFN3O4/c1-9-16(22-8-28-9)17(25)23-10-5-6-14(12(20)7-10)24-18(26)11-3-2-4-13(21)15(11)19(24)27/h2-8H,1H3,(H,23,25)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu4 receptor by cell based calcium mobilization


Bioorg Med Chem Lett 26: 751-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.104
BindingDB Entry DOI: 10.7270/Q261124T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50143147
PNG
(CHEMBL3759705)
Show SMILES Cc1ocnc1C(=O)Nc1ccc(N2C(=O)c3cccnc3C2=O)c(Cl)c1
Show InChI InChI=1S/C18H11ClN4O4/c1-9-14(21-8-27-9)16(24)22-10-4-5-13(12(19)7-10)23-17(25)11-3-2-6-20-15(11)18(23)26/h2-8H,1H3,(H,22,24)
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n/an/an/an/a 2.53E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu4 receptor by cell based calcium mobilization


Bioorg Med Chem Lett 26: 751-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.104
BindingDB Entry DOI: 10.7270/Q261124T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50143059
PNG
(CHEMBL3758746)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2ccc(C)cc2C1=O
Show InChI InChI=1S/C12H11Cl2N5O2/c1-6-10(11(20)17-12(15)16-6)19(18-21)5-7-2-3-8(13)9(14)4-7/h2-4H,5H2,1H3,(H3,15,16,17,20)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 receptor by cell based calcium mobilization


Bioorg Med Chem Lett 26: 751-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.104
BindingDB Entry DOI: 10.7270/Q261124T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50143060
PNG
(CHEMBL3758305)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2cccc(C)c2C1=O
Show InChI InChI=1S/C7H9N3O3/c1-2-13-6(12)4-3-9-7(8)10-5(4)11/h3H,2H2,1H3,(H3,8,9,10,11)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 receptor by cell based calcium mobilization


Bioorg Med Chem Lett 26: 751-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.104
BindingDB Entry DOI: 10.7270/Q261124T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50143061
PNG
(CHEMBL3759901)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2ccc(Cl)cc2C1=O
Show InChI InChI=1S/C11H8N6O3/c12-11-13-8-7(9(18)14-11)15-17(16-8)6-3-1-2-5(4-6)10(19)20/h1-4H,(H,19,20)(H3,12,13,14,16,18)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 receptor by cell based calcium mobilization


Bioorg Med Chem Lett 26: 751-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.104
BindingDB Entry DOI: 10.7270/Q261124T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50143062
PNG
(CHEMBL3758435)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2ccc(F)cc2C1=O
Show InChI InChI=1S/C11H10BrN3O/c1-15-10(16)8(12)9(14-11(15)13)7-5-3-2-4-6-7/h2-6H,1H3,(H2,13,14)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 receptor by cell based calcium mobilization


Bioorg Med Chem Lett 26: 751-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.104
BindingDB Entry DOI: 10.7270/Q261124T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50143063
PNG
(CHEMBL3758465)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2cccc(F)c2C1=O
Show InChI InChI=1S/C20H13F6N7O2/c21-19(22,23)11-4-9(5-12(7-11)20(24,25)26)8-28-16(34)10-2-1-3-13(6-10)33-31-14-15(32-33)29-18(27)30-17(14)35/h1-7H,8H2,(H,28,34)(H3,27,29,30,32,35)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 receptor by cell based calcium mobilization


Bioorg Med Chem Lett 26: 751-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.104
BindingDB Entry DOI: 10.7270/Q261124T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50143061
PNG
(CHEMBL3759901)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2ccc(Cl)cc2C1=O
Show InChI InChI=1S/C11H8N6O3/c12-11-13-8-7(9(18)14-11)15-17(16-8)6-3-1-2-5(4-6)10(19)20/h1-4H,(H,19,20)(H3,12,13,14,16,18)
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n/an/an/an/a 5.30E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu1 receptor by cell based calcium mobilization


Bioorg Med Chem Lett 26: 751-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.104
BindingDB Entry DOI: 10.7270/Q261124T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50143060
PNG
(CHEMBL3758305)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2cccc(C)c2C1=O
Show InChI InChI=1S/C7H9N3O3/c1-2-13-6(12)4-3-9-7(8)10-5(4)11/h3H,2H2,1H3,(H3,8,9,10,11)
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n/an/an/an/a 26n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu1 receptor by cell based calcium mobilization


Bioorg Med Chem Lett 26: 751-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.104
BindingDB Entry DOI: 10.7270/Q261124T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50143060
PNG
(CHEMBL3758305)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2cccc(C)c2C1=O
Show InChI InChI=1S/C7H9N3O3/c1-2-13-6(12)4-3-9-7(8)10-5(4)11/h3H,2H2,1H3,(H3,8,9,10,11)
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n/an/an/an/a 25.7n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu1 receptor by cell based calcium mobilization


Bioorg Med Chem Lett 26: 751-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.104
BindingDB Entry DOI: 10.7270/Q261124T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50143059
PNG
(CHEMBL3758746)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2ccc(C)cc2C1=O
Show InChI InChI=1S/C12H11Cl2N5O2/c1-6-10(11(20)17-12(15)16-6)19(18-21)5-7-2-3-8(13)9(14)4-7/h2-4H,5H2,1H3,(H3,15,16,17,20)
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n/an/an/an/a 11n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu1 receptor by cell based calcium mobilization


Bioorg Med Chem Lett 26: 751-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.104
BindingDB Entry DOI: 10.7270/Q261124T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50143059
PNG
(CHEMBL3758746)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2ccc(C)cc2C1=O
Show InChI InChI=1S/C12H11Cl2N5O2/c1-6-10(11(20)17-12(15)16-6)19(18-21)5-7-2-3-8(13)9(14)4-7/h2-4H,5H2,1H3,(H3,15,16,17,20)
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n/an/an/an/a 11.5n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu1 receptor by cell based calcium mobilization


Bioorg Med Chem Lett 26: 751-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.104
BindingDB Entry DOI: 10.7270/Q261124T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50143148
PNG
(CHEMBL3759376)
Show SMILES Cc1cn[nH]c1C(=O)Nc1ccc(N2C(=O)c3ccc(F)cc3C2=O)c(Cl)c1
Show InChI InChI=1S/C19H12ClFN4O3/c1-9-8-22-24-16(9)17(26)23-11-3-5-15(14(20)7-11)25-18(27)12-4-2-10(21)6-13(12)19(25)28/h2-8H,1H3,(H,22,24)(H,23,26)
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n/an/an/an/a 631n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu1 receptor by cell based calcium mobilization


Bioorg Med Chem Lett 26: 751-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.104
BindingDB Entry DOI: 10.7270/Q261124T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50143148
PNG
(CHEMBL3759376)
Show SMILES Cc1cn[nH]c1C(=O)Nc1ccc(N2C(=O)c3ccc(F)cc3C2=O)c(Cl)c1
Show InChI InChI=1S/C19H12ClFN4O3/c1-9-8-22-24-16(9)17(26)23-11-3-5-15(14(20)7-11)25-18(27)12-4-2-10(21)6-13(12)19(25)28/h2-8H,1H3,(H,22,24)(H,23,26)
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n/an/an/an/a 632n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu1 receptor by cell based calcium mobilization


Bioorg Med Chem Lett 26: 751-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.104
BindingDB Entry DOI: 10.7270/Q261124T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50143149
PNG
(CHEMBL3758298)
Show SMILES Cc1cn[nH]c1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c(Cl)c1
Show InChI InChI=1S/C19H12Cl2N4O3/c1-9-8-22-24-16(9)17(26)23-10-5-6-14(13(21)7-10)25-18(27)11-3-2-4-12(20)15(11)19(25)28/h2-8H,1H3,(H,22,24)(H,23,26)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu1 receptor by cell based calcium mobilization


Bioorg Med Chem Lett 26: 751-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.104
BindingDB Entry DOI: 10.7270/Q261124T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50143149
PNG
(CHEMBL3758298)
Show SMILES Cc1cn[nH]c1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c(Cl)c1
Show InChI InChI=1S/C19H12Cl2N4O3/c1-9-8-22-24-16(9)17(26)23-10-5-6-14(13(21)7-10)25-18(27)11-3-2-4-12(20)15(11)19(25)28/h2-8H,1H3,(H,22,24)(H,23,26)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu1 receptor by cell based calcium mobilization


Bioorg Med Chem Lett 26: 751-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.104
BindingDB Entry DOI: 10.7270/Q261124T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50143150
PNG
(CHEMBL3759211)
Show SMILES Cc1cn[nH]c1C(=O)Nc1ccc(N2C(=O)c3ccc(Cl)cc3C2=O)c(Cl)c1
Show InChI InChI=1S/C19H12Cl2N4O3/c1-9-8-22-24-16(9)17(26)23-11-3-5-15(14(21)7-11)25-18(27)12-4-2-10(20)6-13(12)19(25)28/h2-8H,1H3,(H,22,24)(H,23,26)
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n/an/an/an/a 851n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu1 receptor by cell based calcium mobilization


Bioorg Med Chem Lett 26: 751-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.104
BindingDB Entry DOI: 10.7270/Q261124T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50143150
PNG
(CHEMBL3759211)
Show SMILES Cc1cn[nH]c1C(=O)Nc1ccc(N2C(=O)c3ccc(Cl)cc3C2=O)c(Cl)c1
Show InChI InChI=1S/C19H12Cl2N4O3/c1-9-8-22-24-16(9)17(26)23-11-3-5-15(14(21)7-11)25-18(27)12-4-2-10(20)6-13(12)19(25)28/h2-8H,1H3,(H,22,24)(H,23,26)
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n/an/an/an/a 855n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu1 receptor by cell based calcium mobilization


Bioorg Med Chem Lett 26: 751-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.104
BindingDB Entry DOI: 10.7270/Q261124T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50143151
PNG
(CHEMBL3759530)
Show SMILES Cc1cn[nH]c1C(=O)Nc1ccc(N2C(=O)c3cccc(C)c3C2=O)c(Cl)c1
Show InChI InChI=1S/C20H15ClN4O3/c1-10-4-3-5-13-16(10)20(28)25(19(13)27)15-7-6-12(8-14(15)21)23-18(26)17-11(2)9-22-24-17/h3-9H,1-2H3,(H,22,24)(H,23,26)
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n/an/an/an/a 4.37E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu1 receptor by cell based calcium mobilization


Bioorg Med Chem Lett 26: 751-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.104
BindingDB Entry DOI: 10.7270/Q261124T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50143151
PNG
(CHEMBL3759530)
Show SMILES Cc1cn[nH]c1C(=O)Nc1ccc(N2C(=O)c3cccc(C)c3C2=O)c(Cl)c1
Show InChI InChI=1S/C20H15ClN4O3/c1-10-4-3-5-13-16(10)20(28)25(19(13)27)15-7-6-12(8-14(15)21)23-18(26)17-11(2)9-22-24-17/h3-9H,1-2H3,(H,22,24)(H,23,26)
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n/an/an/an/a 4.36E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu1 receptor by cell based calcium mobilization


Bioorg Med Chem Lett 26: 751-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.104
BindingDB Entry DOI: 10.7270/Q261124T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50143152
PNG
(CHEMBL3759656)
Show SMILES Cc1cn[nH]c1C(=O)Nc1ccc(N2C(=O)c3ccc(C)cc3C2=O)c(Cl)c1
Show InChI InChI=1S/C20H15ClN4O3/c1-10-3-5-13-14(7-10)20(28)25(19(13)27)16-6-4-12(8-15(16)21)23-18(26)17-11(2)9-22-24-17/h3-9H,1-2H3,(H,22,24)(H,23,26)
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n/an/an/an/a 562n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu1 receptor by cell based calcium mobilization


Bioorg Med Chem Lett 26: 751-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.104
BindingDB Entry DOI: 10.7270/Q261124T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50143152
PNG
(CHEMBL3759656)
Show SMILES Cc1cn[nH]c1C(=O)Nc1ccc(N2C(=O)c3ccc(C)cc3C2=O)c(Cl)c1
Show InChI InChI=1S/C20H15ClN4O3/c1-10-3-5-13-14(7-10)20(28)25(19(13)27)16-6-4-12(8-15(16)21)23-18(26)17-11(2)9-22-24-17/h3-9H,1-2H3,(H,22,24)(H,23,26)
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n/an/an/an/a 557n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu1 receptor by cell based calcium mobilization


Bioorg Med Chem Lett 26: 751-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.104
BindingDB Entry DOI: 10.7270/Q261124T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50143153
PNG
(CHEMBL3759672)
Show SMILES Cn1ccnc1C(=O)Nc1ccc(N2C(=O)c3cccnc3C2=O)c(Cl)c1
Show InChI InChI=1S/C18H12ClN5O3/c1-23-8-7-21-15(23)16(25)22-10-4-5-13(12(19)9-10)24-17(26)11-3-2-6-20-14(11)18(24)27/h2-9H,1H3,(H,22,25)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu1 receptor by cell based calcium mobilization


Bioorg Med Chem Lett 26: 751-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.104
BindingDB Entry DOI: 10.7270/Q261124T
More data for this
Ligand-Target Pair
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