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Compile Data Set for Download or QSAR

Found 21 hits Enz. Inhib. hit(s) with all data for assayid = 7 entry = 50030808   
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))
BDBM50301816
PNG
(2-cyclopropyl-5-(5-methyl-1-(pyridin-3-yl)-1H-1,2,...)
Show SMILES Cc1c(nnn1-c1cccnc1)-c1ccc2C(=O)C(Cc2c1)C1CC1
Show InChI InChI=1/C20H18N4O/c1-12-19(22-23-24(12)16-3-2-8-21-11-16)14-6-7-17-15(9-14)10-18(20(17)25)13-4-5-13/h2-3,6-9,11,13,18H,4-5,10H2,1H3
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n/an/a 2.60n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1 receptor expressed in CHO cell membranes assessed as inhibition of L-glutamate-induced calcium mobilization by FL...


Bioorg Med Chem Lett 19: 5310-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.145
BindingDB Entry DOI: 10.7270/Q26H4HGN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50301821
PNG
(2-ethyl-5-(1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,...)
Show SMILES CCN1Cc2cc(ccc2C1=O)-c1nnn(c1C)-c1cccnc1F
Show InChI InChI=1S/C18H16FN5O/c1-3-23-10-13-9-12(6-7-14(13)18(23)25)16-11(2)24(22-21-16)15-5-4-8-20-17(15)19/h4-9H,3,10H2,1-2H3
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n/an/a 3.30n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1 receptor expressed in CHO cell membranes assessed as inhibition of L-glutamate-induced calcium mobilization by FL...


Bioorg Med Chem Lett 19: 5310-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.145
BindingDB Entry DOI: 10.7270/Q26H4HGN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50301824
PNG
(2-cyclopropyl-5-(1-(2-fluoropyridin-3-yl)-5-methyl...)
Show SMILES Cc1c(nnn1-c1cccnc1F)-c1ccc2C(=O)N(Cc2c1)C1CC1
Show InChI InChI=1S/C19H16FN5O/c1-11-17(22-23-25(11)16-3-2-8-21-18(16)20)12-4-7-15-13(9-12)10-24(19(15)26)14-5-6-14/h2-4,7-9,14H,5-6,10H2,1H3
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n/an/a 3.5n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1 receptor expressed in CHO cell membranes assessed as inhibition of L-glutamate-induced calcium mobilization by FL...


Bioorg Med Chem Lett 19: 5310-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.145
BindingDB Entry DOI: 10.7270/Q26H4HGN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50301822
PNG
(5-(1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,2,3-tria...)
Show SMILES CCCN1Cc2cc(ccc2C1=O)-c1nnn(c1C)-c1cccnc1F
Show InChI InChI=1S/C19H18FN5O/c1-3-9-24-11-14-10-13(6-7-15(14)19(24)26)17-12(2)25(23-22-17)16-5-4-8-21-18(16)20/h4-8,10H,3,9,11H2,1-2H3
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n/an/a 3.60n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1 receptor expressed in CHO cell membranes assessed as inhibition of L-glutamate-induced calcium mobilization by FL...


Bioorg Med Chem Lett 19: 5310-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.145
BindingDB Entry DOI: 10.7270/Q26H4HGN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50301818
PNG
(6-(5-methyl-1-(pyridin-3-yl)-1H-1,2,3-triazol-4-yl...)
Show SMILES Cc1c(nnn1-c1cccnc1)-c1ccc2ncccc2c1
Show InChI InChI=1S/C17H13N5/c1-12-17(20-21-22(12)15-5-3-8-18-11-15)14-6-7-16-13(10-14)4-2-9-19-16/h2-11H,1H3
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n/an/a 4.90n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1 receptor expressed in CHO cell membranes assessed as inhibition of L-glutamate-induced calcium mobilization by FL...


Bioorg Med Chem Lett 19: 5310-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.145
BindingDB Entry DOI: 10.7270/Q26H4HGN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50301823
PNG
(5-(1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,2,3-tria...)
Show SMILES CC(C)N1Cc2cc(ccc2C1=O)-c1nnn(c1C)-c1cccnc1F
Show InChI InChI=1S/C19H18FN5O/c1-11(2)24-10-14-9-13(6-7-15(14)19(24)26)17-12(3)25(23-22-17)16-5-4-8-21-18(16)20/h4-9,11H,10H2,1-3H3
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n/an/a 5.5n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1 receptor expressed in CHO cell membranes assessed as inhibition of L-glutamate-induced calcium mobilization by FL...


Bioorg Med Chem Lett 19: 5310-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.145
BindingDB Entry DOI: 10.7270/Q26H4HGN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50273942
PNG
(4-(1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,2,3-tria...)
Show SMILES CC(C)N(C)C(=O)N1CCC(=CC1)c1nnn(c1C)-c1cccnc1F
Show InChI InChI=1S/C18H23FN6O/c1-12(2)23(4)18(26)24-10-7-14(8-11-24)16-13(3)25(22-21-16)15-6-5-9-20-17(15)19/h5-7,9,12H,8,10-11H2,1-4H3
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n/an/a 5.60n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1 receptor expressed in CHO cell membranes assessed as inhibition of L-glutamate-induced calcium mobilization by FL...


Bioorg Med Chem Lett 19: 5310-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.145
BindingDB Entry DOI: 10.7270/Q26H4HGN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50301815
PNG
(2,2-dimethyl-5-(5-methyl-1-(pyridin-3-yl)-1H-1,2,3...)
Show SMILES Cc1c(nnn1-c1cccnc1)-c1ccc2C(=O)C(C)(C)Cc2c1
Show InChI InChI=1S/C19H18N4O/c1-12-17(21-22-23(12)15-5-4-8-20-11-15)13-6-7-16-14(9-13)10-19(2,3)18(16)24/h4-9,11H,10H2,1-3H3
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n/an/a 11n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1 receptor expressed in CHO cell membranes assessed as inhibition of L-glutamate-induced calcium mobilization by FL...


Bioorg Med Chem Lett 19: 5310-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.145
BindingDB Entry DOI: 10.7270/Q26H4HGN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50301807
PNG
(CHEMBL568648 | cyclopropyl(4-(5-methyl-1-(pyridin-...)
Show SMILES Cc1c(nnn1-c1cccnc1)-c1ccc(cc1)C(=O)C1CC1
Show InChI InChI=1S/C18H16N4O/c1-12-17(20-21-22(12)16-3-2-10-19-11-16)13-4-6-14(7-5-13)18(23)15-8-9-15/h2-7,10-11,15H,8-9H2,1H3
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n/an/a 22n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1 receptor expressed in CHO cell membranes assessed as inhibition of L-glutamate-induced calcium mobilization by FL...


Bioorg Med Chem Lett 19: 5310-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.145
BindingDB Entry DOI: 10.7270/Q26H4HGN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50301809
PNG
(CHEMBL568449 | isopropyl 4-(5-methyl-1-(pyridin-3-...)
Show SMILES CC(C)OC(=O)c1ccc(cc1)-c1nnn(c1C)-c1cccnc1
Show InChI InChI=1S/C18H18N4O2/c1-12(2)24-18(23)15-8-6-14(7-9-15)17-13(3)22(21-20-17)16-5-4-10-19-11-16/h4-12H,1-3H3
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n/an/a 33n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1 receptor expressed in CHO cell membranes assessed as inhibition of L-glutamate-induced calcium mobilization by FL...


Bioorg Med Chem Lett 19: 5310-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.145
BindingDB Entry DOI: 10.7270/Q26H4HGN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50301814
PNG
(5-(5-methyl-1-(pyridin-3-yl)-1H-1,2,3-triazol-4-yl...)
Show SMILES Cc1c(nnn1-c1cccnc1)-c1ccc2C(=O)CCc2c1
Show InChI InChI=1S/C17H14N4O/c1-11-17(19-20-21(11)14-3-2-8-18-10-14)13-4-6-15-12(9-13)5-7-16(15)22/h2-4,6,8-10H,5,7H2,1H3
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n/an/a 69n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1 receptor expressed in CHO cell membranes assessed as inhibition of L-glutamate-induced calcium mobilization by FL...


Bioorg Med Chem Lett 19: 5310-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.145
BindingDB Entry DOI: 10.7270/Q26H4HGN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50301806
PNG
(1-(4-(5-methyl-1-(pyridin-3-yl)-1H-1,2,3-triazol-4...)
Show SMILES CCC(=O)c1ccc(cc1)-c1nnn(c1C)-c1cccnc1
Show InChI InChI=1S/C17H16N4O/c1-3-16(22)13-6-8-14(9-7-13)17-12(2)21(20-19-17)15-5-4-10-18-11-15/h4-11H,3H2,1-2H3
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n/an/a 170n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1 receptor expressed in CHO cell membranes assessed as inhibition of L-glutamate-induced calcium mobilization by FL...


Bioorg Med Chem Lett 19: 5310-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.145
BindingDB Entry DOI: 10.7270/Q26H4HGN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50301811
PNG
(CHEMBL565948 | N-isopropyl-4-(5-methyl-1-(pyridin-...)
Show SMILES CC(C)NC(=O)c1ccc(cc1)-c1nnn(c1C)-c1cccnc1
Show InChI InChI=1S/C18H19N5O/c1-12(2)20-18(24)15-8-6-14(7-9-15)17-13(3)23(22-21-17)16-5-4-10-19-11-16/h4-12H,1-3H3,(H,20,24)
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n/an/a 210n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1 receptor expressed in CHO cell membranes assessed as inhibition of L-glutamate-induced calcium mobilization by FL...


Bioorg Med Chem Lett 19: 5310-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.145
BindingDB Entry DOI: 10.7270/Q26H4HGN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50301817
PNG
(5-(5-methyl-1-(pyridin-3-yl)-1H-1,2,3-triazol-4-yl...)
Show SMILES Cc1c(nnn1-c1cccnc1)-c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C16H13N5/c1-11-16(13-4-5-15-12(9-13)6-8-18-15)19-20-21(11)14-3-2-7-17-10-14/h2-10,18H,1H3
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n/an/a 250n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1 receptor expressed in CHO cell membranes assessed as inhibition of L-glutamate-induced calcium mobilization by FL...


Bioorg Med Chem Lett 19: 5310-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.145
BindingDB Entry DOI: 10.7270/Q26H4HGN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50301819
PNG
(3-(5-methyl-4-(naphthalen-2-yl)-1H-1,2,3-triazol-1...)
Show SMILES Cc1c(nnn1-c1cccnc1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C18H14N4/c1-13-18(20-21-22(13)17-7-4-10-19-12-17)16-9-8-14-5-2-3-6-15(14)11-16/h2-12H,1H3
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n/an/a 300n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1 receptor expressed in CHO cell membranes assessed as inhibition of L-glutamate-induced calcium mobilization by FL...


Bioorg Med Chem Lett 19: 5310-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.145
BindingDB Entry DOI: 10.7270/Q26H4HGN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50301805
PNG
(1-(4-(5-methyl-1-(pyridin-3-yl)-1H-1,2,3-triazol-4...)
Show SMILES CC(=O)c1ccc(cc1)-c1nnn(c1C)-c1cccnc1
Show InChI InChI=1S/C16H14N4O/c1-11-16(14-7-5-13(6-8-14)12(2)21)18-19-20(11)15-4-3-9-17-10-15/h3-10H,1-2H3
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n/an/a 470n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1 receptor expressed in CHO cell membranes assessed as inhibition of L-glutamate-induced calcium mobilization by FL...


Bioorg Med Chem Lett 19: 5310-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.145
BindingDB Entry DOI: 10.7270/Q26H4HGN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50301812
PNG
(CHEMBL576434 | N-isopropyl-N-methyl-4-(5-methyl-1-...)
Show SMILES CC(C)N(C)C(=O)c1ccc(cc1)-c1nnn(c1C)-c1cccnc1
Show InChI InChI=1S/C19H21N5O/c1-13(2)23(4)19(25)16-9-7-15(8-10-16)18-14(3)24(22-21-18)17-6-5-11-20-12-17/h5-13H,1-4H3
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n/an/a 880n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1 receptor expressed in CHO cell membranes assessed as inhibition of L-glutamate-induced calcium mobilization by FL...


Bioorg Med Chem Lett 19: 5310-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.145
BindingDB Entry DOI: 10.7270/Q26H4HGN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50301820
PNG
(2-methyl-5-(5-methyl-1-(pyridin-3-yl)-1H-1,2,3-tri...)
Show SMILES Cc1nc2cc(ccc2s1)-c1nnn(c1C)-c1cccnc1
Show InChI InChI=1S/C16H13N5S/c1-10-16(19-20-21(10)13-4-3-7-17-9-13)12-5-6-15-14(8-12)18-11(2)22-15/h3-9H,1-2H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1 receptor expressed in CHO cell membranes assessed as inhibition of L-glutamate-induced calcium mobilization by FL...


Bioorg Med Chem Lett 19: 5310-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.145
BindingDB Entry DOI: 10.7270/Q26H4HGN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50301813
PNG
((4-(5-methyl-1-(pyridin-3-yl)-1H-1,2,3-triazol-4-y...)
Show SMILES Cc1c(nnn1-c1cccnc1)-c1ccc(cc1)C(=O)N1CCCC1
Show InChI InChI=1S/C19H19N5O/c1-14-18(21-22-24(14)17-5-4-10-20-13-17)15-6-8-16(9-7-15)19(25)23-11-2-3-12-23/h4-10,13H,2-3,11-12H2,1H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1 receptor expressed in CHO cell membranes assessed as inhibition of L-glutamate-induced calcium mobilization by FL...


Bioorg Med Chem Lett 19: 5310-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.145
BindingDB Entry DOI: 10.7270/Q26H4HGN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50301810
PNG
(CHEMBL568241 | isopropyl 3-(5-methyl-1-(pyridin-3-...)
Show SMILES CC(C)OC(=O)c1cccc(c1)-c1nnn(c1C)-c1cccnc1
Show InChI InChI=1S/C18H18N4O2/c1-12(2)24-18(23)15-7-4-6-14(10-15)17-13(3)22(21-20-17)16-8-5-9-19-11-16/h4-12H,1-3H3
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n/an/a 2.40E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1 receptor expressed in CHO cell membranes assessed as inhibition of L-glutamate-induced calcium mobilization by FL...


Bioorg Med Chem Lett 19: 5310-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.145
BindingDB Entry DOI: 10.7270/Q26H4HGN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50301808
PNG
((4-(5-methyl-1-(pyridin-3-yl)-1H-1,2,3-triazol-4-y...)
Show SMILES Cc1c(nnn1-c1cccnc1)-c1ccc(cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C21H16N4O/c1-15-20(23-24-25(15)19-8-5-13-22-14-19)16-9-11-18(12-10-16)21(26)17-6-3-2-4-7-17/h2-14H,1H3
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n/an/a 3.90E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1 receptor expressed in CHO cell membranes assessed as inhibition of L-glutamate-induced calcium mobilization by FL...


Bioorg Med Chem Lett 19: 5310-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.145
BindingDB Entry DOI: 10.7270/Q26H4HGN
More data for this
Ligand-Target Pair