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Compile Data Set for Download or QSAR

Found 117 hits Enz. Inhib. hit(s) with all data for entry = 50046813   
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 1


(Homo sapiens (Human))
BDBM50132797
PNG
(CHEMBL3634445)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C20H13FN2O4/c1-11-8-9-27-17(11)18(24)22-16-7-6-12(10-15(16)21)23-19(25)13-4-2-3-5-14(13)20(23)26/h2-10H,1H3,(H,22,24)
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n/an/a 13n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR1 by calcium mobilization assay


Bioorg Med Chem Lett 25: 5107-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50132795
PNG
(CHEMBL3634447)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(cc1C)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C21H16N2O4/c1-12-9-10-27-18(12)19(24)22-17-8-7-14(11-13(17)2)23-20(25)15-5-3-4-6-16(15)21(23)26/h3-11H,1-2H3,(H,22,24)
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n/an/a 15n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR1 by calcium mobilization assay


Bioorg Med Chem Lett 25: 5107-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50132789
PNG
(CHEMBL3634415)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(cc1)N1C(=O)c2cccc(C)c2C1=O
Show InChI InChI=1S/C21H16N2O4/c1-12-4-3-5-16-17(12)21(26)23(20(16)25)15-8-6-14(7-9-15)22-19(24)18-13(2)10-11-27-18/h3-11H,1-2H3,(H,22,24)
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n/an/a 16n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR1 by calcium mobilization assay


Bioorg Med Chem Lett 25: 5107-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50132800
PNG
(CHEMBL3634442)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(C)c3C2=O)c2ccccc12
Show InChI InChI=1S/C25H18N2O4/c1-14-6-5-9-18-21(14)25(30)27(24(18)29)20-11-10-19(16-7-3-4-8-17(16)20)26-23(28)22-15(2)12-13-31-22/h3-13H,1-2H3,(H,26,28)
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n/an/a 16n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR1 by calcium mobilization assay


Bioorg Med Chem Lett 25: 5107-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50132712
PNG
(CHEMBL3632642)
Show SMILES COc1cc(NC(=O)c2occc2C)ccc1N1C(=O)c2cccc(Cl)c2C1=O
Show InChI InChI=1S/C21H15ClN2O5/c1-11-8-9-29-18(11)19(25)23-12-6-7-15(16(10-12)28-2)24-20(26)13-4-3-5-14(22)17(13)21(24)27/h3-10H,1-2H3,(H,23,25)
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n/an/a 18n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR1 by calcium mobilization assay


Bioorg Med Chem Lett 25: 5107-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50132798
PNG
(CHEMBL3634444)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c2ccccc12
Show InChI InChI=1S/C24H15FN2O4/c1-13-11-12-31-21(13)22(28)26-18-9-10-19(15-6-3-2-5-14(15)18)27-23(29)16-7-4-8-17(25)20(16)24(27)30/h2-12H,1H3,(H,26,28)
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n/an/a 19n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR1 by calcium mobilization assay


Bioorg Med Chem Lett 25: 5107-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50132801
PNG
(CHEMBL3634441)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c2ccccc12
Show InChI InChI=1S/C24H16N2O4/c1-14-12-13-30-21(14)22(27)25-19-10-11-20(16-7-3-2-6-15(16)19)26-23(28)17-8-4-5-9-18(17)24(26)29/h2-13H,1H3,(H,25,27)
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n/an/a 20n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR1 by calcium mobilization assay


Bioorg Med Chem Lett 25: 5107-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50132781
PNG
(CHEMBL3634423)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(C)c3C2=O)c(C)c1
Show InChI InChI=1S/C22H18N2O4/c1-12-5-4-6-16-18(12)22(27)24(21(16)26)17-8-7-15(11-14(17)3)23-20(25)19-13(2)9-10-28-19/h4-11H,1-3H3,(H,23,25)
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n/an/a 21n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR1 by calcium mobilization assay


Bioorg Med Chem Lett 25: 5107-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50132786
PNG
(CHEMBL3634418)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(F)c1
Show InChI InChI=1S/C20H13FN2O4/c1-11-8-9-27-17(11)18(24)22-12-6-7-16(15(21)10-12)23-19(25)13-4-2-3-5-14(13)20(23)26/h2-10H,1H3,(H,22,24)
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n/an/a 22n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR1 by calcium mobilization assay


Bioorg Med Chem Lett 25: 5107-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50132799
PNG
(CHEMBL3634443)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c2ccccc12
Show InChI InChI=1S/C24H15ClN2O4/c1-13-11-12-31-21(13)22(28)26-18-9-10-19(15-6-3-2-5-14(15)18)27-23(29)16-7-4-8-17(25)20(16)24(27)30/h2-12H,1H3,(H,26,28)
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n/an/a 22n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR1 by calcium mobilization assay


Bioorg Med Chem Lett 25: 5107-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50132785
PNG
(CHEMBL3634419)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(C)c3C2=O)c(F)c1
Show InChI InChI=1S/C21H15FN2O4/c1-11-4-3-5-14-17(11)21(27)24(20(14)26)16-7-6-13(10-15(16)22)23-19(25)18-12(2)8-9-28-18/h3-10H,1-2H3,(H,23,25)
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n/an/a 26n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR1 by calcium mobilization assay


Bioorg Med Chem Lett 25: 5107-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50132784
PNG
(CHEMBL3634420)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c(F)c1
Show InChI InChI=1S/C20H12ClFN2O4/c1-10-7-8-28-17(10)18(25)23-11-5-6-15(14(22)9-11)24-19(26)12-3-2-4-13(21)16(12)20(24)27/h2-9H,1H3,(H,23,25)
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n/an/a 28n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR1 by calcium mobilization assay


Bioorg Med Chem Lett 25: 5107-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50132788
PNG
(CHEMBL3634416)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(cc1)N1C(=O)c2cccc(Cl)c2C1=O
Show InChI InChI=1S/C20H13ClN2O4/c1-11-9-10-27-17(11)18(24)22-12-5-7-13(8-6-12)23-19(25)14-3-2-4-15(21)16(14)20(23)26/h2-10H,1H3,(H,22,24)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR1 by calcium mobilization assay


Bioorg Med Chem Lett 25: 5107-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50132796
PNG
(CHEMBL3634446)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(cc1Cl)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C20H13ClN2O4/c1-11-8-9-27-17(11)18(24)22-16-7-6-12(10-15(16)21)23-19(25)13-4-2-3-5-14(13)20(23)26/h2-10H,1H3,(H,22,24)
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n/an/a 29n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR1 by calcium mobilization assay


Bioorg Med Chem Lett 25: 5107-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50132783
PNG
(CHEMBL3634421)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(F)c1
Show InChI InChI=1S/C20H12F2N2O4/c1-10-7-8-28-17(10)18(25)23-11-5-6-15(14(22)9-11)24-19(26)12-3-2-4-13(21)16(12)20(24)27/h2-9H,1H3,(H,23,25)
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n/an/a 35n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR1 by calcium mobilization assay


Bioorg Med Chem Lett 25: 5107-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50132807
PNG
(CHEMBL3634435)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(nc1)N1C(=O)c2cccc(Cl)c2C1=O
Show InChI InChI=1S/C19H12ClN3O4/c1-10-7-8-27-16(10)17(24)22-11-5-6-14(21-9-11)23-18(25)12-3-2-4-13(20)15(12)19(23)26/h2-9H,1H3,(H,22,24)
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n/an/a 35n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR1 by calcium mobilization assay


Bioorg Med Chem Lett 25: 5107-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50132787
PNG
(CHEMBL3634417)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(cc1)N1C(=O)c2cccc(F)c2C1=O
Show InChI InChI=1S/C20H13FN2O4/c1-11-9-10-27-17(11)18(24)22-12-5-7-13(8-6-12)23-19(25)14-3-2-4-15(21)16(14)20(23)26/h2-10H,1H3,(H,22,24)
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n/an/a 44n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR1 by calcium mobilization assay


Bioorg Med Chem Lett 25: 5107-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50132774
PNG
(CHEMBL3634430)
Show SMILES COc1cc(NC(=O)c2occc2C)ccc1N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C21H16N2O5/c1-12-9-10-28-18(12)19(24)22-13-7-8-16(17(11-13)27-2)23-20(25)14-5-3-4-6-15(14)21(23)26/h3-11H,1-2H3,(H,22,24)
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n/an/a 47n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR1 by calcium mobilization assay


Bioorg Med Chem Lett 25: 5107-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50132790
PNG
(CHEMBL3634414)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(cc1)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C20H14N2O4/c1-12-10-11-26-17(12)18(23)21-13-6-8-14(9-7-13)22-19(24)15-4-2-3-5-16(15)20(22)25/h2-11H,1H3,(H,21,23)
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n/an/a 48n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR1 by calcium mobilization assay


Bioorg Med Chem Lett 25: 5107-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50132773
PNG
(CHEMBL3634431)
Show SMILES COc1cc(NC(=O)c2occc2C)ccc1N1C(=O)c2cccc(C)c2C1=O
Show InChI InChI=1S/C22H18N2O5/c1-12-5-4-6-15-18(12)22(27)24(21(15)26)16-8-7-14(11-17(16)28-3)23-20(25)19-13(2)9-10-29-19/h4-11H,1-3H3,(H,23,25)
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n/an/a 49n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR1 by calcium mobilization assay


Bioorg Med Chem Lett 25: 5107-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50132779
PNG
(CHEMBL3634425)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(C)c1
Show InChI InChI=1S/C21H15FN2O4/c1-11-8-9-28-18(11)19(25)23-13-6-7-16(12(2)10-13)24-20(26)14-4-3-5-15(22)17(14)21(24)27/h3-10H,1-2H3,(H,23,25)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR1 by calcium mobilization assay


Bioorg Med Chem Lett 25: 5107-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50132780
PNG
(CHEMBL3634424)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c(C)c1
Show InChI InChI=1S/C21H15ClN2O4/c1-11-8-9-28-18(11)19(25)23-13-6-7-16(12(2)10-13)24-20(26)14-4-3-5-15(22)17(14)21(24)27/h3-10H,1-2H3,(H,23,25)
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n/an/a 49n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR1 by calcium mobilization assay


Bioorg Med Chem Lett 25: 5107-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50132782
PNG
(CHEMBL3634422)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(C)c1
Show InChI InChI=1S/C21H16N2O4/c1-12-9-10-27-18(12)19(24)22-14-7-8-17(13(2)11-14)23-20(25)15-5-3-4-6-16(15)21(23)26/h3-11H,1-2H3,(H,22,24)
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n/an/a 89n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR1 by calcium mobilization assay


Bioorg Med Chem Lett 25: 5107-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50132808
PNG
(CHEMBL3634434)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(nc1)N1C(=O)c2cccc(C)c2C1=O
Show InChI InChI=1S/C20H15N3O4/c1-11-4-3-5-14-16(11)20(26)23(19(14)25)15-7-6-13(10-21-15)22-18(24)17-12(2)8-9-27-17/h3-10H,1-2H3,(H,22,24)
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n/an/a 95n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR1 by calcium mobilization assay


Bioorg Med Chem Lett 25: 5107-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50132776
PNG
(CHEMBL3634428)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H12ClF3N2O4/c1-10-7-8-31-17(10)18(28)26-11-5-6-15(13(9-11)21(23,24)25)27-19(29)12-3-2-4-14(22)16(12)20(27)30/h2-9H,1H3,(H,26,28)
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n/an/a 105n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR1 by calcium mobilization assay


Bioorg Med Chem Lett 25: 5107-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50132778
PNG
(CHEMBL3634426)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H13F3N2O4/c1-11-8-9-30-17(11)18(27)25-12-6-7-16(15(10-12)21(22,23)24)26-19(28)13-4-2-3-5-14(13)20(26)29/h2-10H,1H3,(H,25,27)
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n/an/a 123n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR1 by calcium mobilization assay


Bioorg Med Chem Lett 25: 5107-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50132710
PNG
(CHEMBL3634432)
Show SMILES COc1cc(NC(=O)c2occc2C)ccc1N1C(=O)c2cccc(F)c2C1=O
Show InChI InChI=1S/C21H15FN2O5/c1-11-8-9-29-18(11)19(25)23-12-6-7-15(16(10-12)28-2)24-20(26)13-4-3-5-14(22)17(13)21(24)27/h3-10H,1-2H3,(H,23,25)
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n/an/a 145n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR1 by calcium mobilization assay


Bioorg Med Chem Lett 25: 5107-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50132775
PNG
(CHEMBL3634429)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H12F4N2O4/c1-10-7-8-31-17(10)18(28)26-11-5-6-15(13(9-11)21(23,24)25)27-19(29)12-3-2-4-14(22)16(12)20(27)30/h2-9H,1H3,(H,26,28)
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n/an/a 155n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR1 by calcium mobilization assay


Bioorg Med Chem Lett 25: 5107-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50132806
PNG
(CHEMBL3634436)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(nc1)N1C(=O)c2cccc(F)c2C1=O
Show InChI InChI=1S/C19H12FN3O4/c1-10-7-8-27-16(10)17(24)22-11-5-6-14(21-9-11)23-18(25)12-3-2-4-13(20)15(12)19(23)26/h2-9H,1H3,(H,22,24)
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n/an/a 200n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR1 by calcium mobilization assay


Bioorg Med Chem Lett 25: 5107-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50132803
PNG
(CHEMBL3634439)
Show SMILES Cc1ccoc1C(=O)Nc1cnc(nc1)N1C(=O)c2cccc(Cl)c2C1=O
Show InChI InChI=1S/C18H11ClN4O4/c1-9-5-6-27-14(9)15(24)22-10-7-20-18(21-8-10)23-16(25)11-3-2-4-12(19)13(11)17(23)26/h2-8H,1H3,(H,22,24)
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n/an/a 209n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR1 by calcium mobilization assay


Bioorg Med Chem Lett 25: 5107-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50132793
PNG
(CHEMBL3634449)
Show SMILES COc1cc(ccc1NC(=O)c1occc1C)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C21H16N2O5/c1-12-9-10-28-18(12)19(24)22-16-8-7-13(11-17(16)27-2)23-20(25)14-5-3-4-6-15(14)21(23)26/h3-11H,1-2H3,(H,22,24)
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n/an/a 331n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR1 by calcium mobilization assay


Bioorg Med Chem Lett 25: 5107-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50132809
PNG
(CHEMBL3634433)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(nc1)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C19H13N3O4/c1-11-8-9-26-16(11)17(23)21-12-6-7-15(20-10-12)22-18(24)13-4-2-3-5-14(13)19(22)25/h2-10H,1H3,(H,21,23)
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n/an/a 389n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR1 by calcium mobilization assay


Bioorg Med Chem Lett 25: 5107-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50132777
PNG
(CHEMBL3634427)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(C)c3C2=O)c(c1)C(F)(F)F
Show InChI InChI=1S/C22H15F3N2O4/c1-11-4-3-5-14-17(11)21(30)27(20(14)29)16-7-6-13(10-15(16)22(23,24)25)26-19(28)18-12(2)8-9-31-18/h3-10H,1-2H3,(H,26,28)
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n/an/a 537n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR1 by calcium mobilization assay


Bioorg Med Chem Lett 25: 5107-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50132804
PNG
(CHEMBL3634438)
Show SMILES Cc1ccoc1C(=O)Nc1cnc(nc1)N1C(=O)c2cccc(C)c2C1=O
Show InChI InChI=1S/C19H14N4O4/c1-10-4-3-5-13-14(10)18(26)23(17(13)25)19-20-8-12(9-21-19)22-16(24)15-11(2)6-7-27-15/h3-9H,1-2H3,(H,22,24)
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n/an/a 759n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR1 by calcium mobilization assay


Bioorg Med Chem Lett 25: 5107-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50132805
PNG
(CHEMBL3634437)
Show SMILES Cc1ccoc1C(=O)Nc1cnc(nc1)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C18H12N4O4/c1-10-6-7-26-14(10)15(23)21-11-8-19-18(20-9-11)22-16(24)12-4-2-3-5-13(12)17(22)25/h2-9H,1H3,(H,21,23)
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n/an/a 4.68E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR1 by calcium mobilization assay


Bioorg Med Chem Lett 25: 5107-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50132802
PNG
(CHEMBL3634440)
Show SMILES Cc1ccoc1C(=O)Nc1cnc(nc1)N1C(=O)c2cccc(F)c2C1=O
Show InChI InChI=1S/C18H11FN4O4/c1-9-5-6-27-14(9)15(24)22-10-7-20-18(21-8-10)23-16(25)11-3-2-4-12(19)13(11)17(23)26/h2-8H,1H3,(H,22,24)
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n/an/a 5.37E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR1 by calcium mobilization assay


Bioorg Med Chem Lett 25: 5107-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50132792
PNG
(CHEMBL3634450)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(cn1)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C19H13N3O4/c1-11-8-9-26-16(11)17(23)21-15-7-6-12(10-20-15)22-18(24)13-4-2-3-5-14(13)19(22)25/h2-10H,1H3,(H,20,21,23)
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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
Positive allosteric modulation of human mGluR1 by calcium mobilization assay


Bioorg Med Chem Lett 25: 5107-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50132794
PNG
(CHEMBL3634448)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(cc1C(F)(F)F)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C21H13F3N2O4/c1-11-8-9-30-17(11)18(27)25-16-7-6-12(10-15(16)21(22,23)24)26-19(28)13-4-2-3-5-14(13)20(26)29/h2-10H,1H3,(H,25,27)
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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
Positive allosteric modulation of human mGluR1 by calcium mobilization assay


Bioorg Med Chem Lett 25: 5107-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50132791
PNG
(CHEMBL3634451)
Show SMILES Cc1ccoc1C(=O)Nc1ncc(cn1)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C18H12N4O4/c1-10-6-7-26-14(10)15(23)21-18-19-8-11(9-20-18)22-16(24)12-4-2-3-5-13(12)17(22)25/h2-9H,1H3,(H,19,20,21,23)
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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
Positive allosteric modulation of human mGluR1 by calcium mobilization assay


Bioorg Med Chem Lett 25: 5107-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50132710
PNG
(CHEMBL3634432)
Show SMILES COc1cc(NC(=O)c2occc2C)ccc1N1C(=O)c2cccc(F)c2C1=O
Show InChI InChI=1S/C21H15FN2O5/c1-11-8-9-29-18(11)19(25)23-12-6-7-15(16(10-12)28-2)24-20(26)13-4-3-5-14(22)17(13)21(24)27/h3-10H,1-2H3,(H,23,25)
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n/an/an/an/a 144n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [125I]NPY from human NPY1 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 5107-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50132712
PNG
(CHEMBL3632642)
Show SMILES COc1cc(NC(=O)c2occc2C)ccc1N1C(=O)c2cccc(Cl)c2C1=O
Show InChI InChI=1S/C21H15ClN2O5/c1-11-8-9-29-18(11)19(25)23-12-6-7-15(16(10-12)28-2)24-20(26)13-4-3-5-14(22)17(13)21(24)27/h3-10H,1-2H3,(H,23,25)
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n/an/an/an/a 18n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [125I]hPP from human NPY4 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 5107-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50132773
PNG
(CHEMBL3634431)
Show SMILES COc1cc(NC(=O)c2occc2C)ccc1N1C(=O)c2cccc(C)c2C1=O
Show InChI InChI=1S/C22H18N2O5/c1-12-5-4-6-15-18(12)22(27)24(21(15)26)16-8-7-14(11-17(16)28-3)23-20(25)19-13(2)9-10-29-19/h4-11H,1-3H3,(H,23,25)
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n/an/an/an/a 49n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [125I]NPY from rat-human hybrid NPY5 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 5107-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50132774
PNG
(CHEMBL3634430)
Show SMILES COc1cc(NC(=O)c2occc2C)ccc1N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C21H16N2O5/c1-12-9-10-28-18(12)19(24)22-13-7-8-16(17(11-13)27-2)23-20(25)14-5-3-4-6-15(14)21(23)26/h3-11H,1-2H3,(H,22,24)
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n/an/an/an/a 46n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [125I]NPY from rat-human hybrid NPY5 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 5107-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50132775
PNG
(CHEMBL3634429)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H12F4N2O4/c1-10-7-8-31-17(10)18(28)26-11-5-6-15(13(9-11)21(23,24)25)27-19(29)12-3-2-4-14(22)16(12)20(27)30/h2-9H,1H3,(H,26,28)
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n/an/an/an/a 155n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human NPY4 receptor in HEK293 cells by inhibition of forskolin-stimulated cAMP synthesis


Bioorg Med Chem Lett 25: 5107-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50132776
PNG
(CHEMBL3634428)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H12ClF3N2O4/c1-10-7-8-31-17(10)18(28)26-11-5-6-15(13(9-11)21(23,24)25)27-19(29)12-3-2-4-14(22)16(12)20(27)30/h2-9H,1H3,(H,26,28)
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n/an/an/an/a 106n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [125I]NPY from rat-human hybrid NPY5 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 5107-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50132777
PNG
(CHEMBL3634427)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(C)c3C2=O)c(c1)C(F)(F)F
Show InChI InChI=1S/C22H15F3N2O4/c1-11-4-3-5-14-17(11)21(30)27(20(14)29)16-7-6-13(10-15(16)22(23,24)25)26-19(28)18-12(2)8-9-31-18/h3-10H,1-2H3,(H,26,28)
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n/an/an/an/a 530n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human NPY4 receptor in HEK293 cells by inhibition of forskolin-stimulated cAMP synthesis


Bioorg Med Chem Lett 25: 5107-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50132778
PNG
(CHEMBL3634426)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H13F3N2O4/c1-11-8-9-30-17(11)18(27)25-12-6-7-16(15(10-12)21(22,23)24)26-19(28)13-4-2-3-5-14(13)20(26)29/h2-10H,1H3,(H,25,27)
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n/an/an/an/a 123n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [125I]NPY from human NPY1 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 5107-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50132779
PNG
(CHEMBL3634425)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(C)c1
Show InChI InChI=1S/C21H15FN2O4/c1-11-8-9-28-18(11)19(25)23-13-6-7-16(12(2)10-13)24-20(26)14-4-3-5-15(22)17(14)21(24)27/h3-10H,1-2H3,(H,23,25)
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n/an/an/an/a 49n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human NPY4 receptor in HEK293 cells by inhibition of forskolin-stimulated cAMP synthesis


Bioorg Med Chem Lett 25: 5107-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50132780
PNG
(CHEMBL3634424)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c(C)c1
Show InChI InChI=1S/C21H15ClN2O4/c1-11-8-9-28-18(11)19(25)23-13-6-7-16(12(2)10-13)24-20(26)14-4-3-5-15(22)17(14)21(24)27/h3-10H,1-2H3,(H,23,25)
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n/an/an/an/a 49n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [125I]NPY from rat-human hybrid NPY5 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 5107-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50132781
PNG
(CHEMBL3634423)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(C)c3C2=O)c(C)c1
Show InChI InChI=1S/C22H18N2O4/c1-12-5-4-6-16-18(12)22(27)24(21(16)26)17-8-7-15(11-14(17)3)23-20(25)19-13(2)9-10-28-19/h4-11H,1-3H3,(H,23,25)
PDB

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n/an/an/an/a 21n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [125I]NPY from human NPY1 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 5107-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ
More data for this
Ligand-Target Pair
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