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Compile Data Set for Download or QSAR

Found 21 hits Enz. Inhib. hit(s) with all data for entry = 50031044   
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 7 (mGlu7)


(Rattus norvegicus (Rat))
BDBM50305863
PNG
(3-(3-methoxyphenyl)-5-methyl-6-phenylisoxazolo[4,5...)
Show SMILES COc1cccc(c1)-c1noc2cc(-c3ccccc3)n(C)c(=O)c12
Show InChI InChI=1S/C20H16N2O3/c1-22-16(13-7-4-3-5-8-13)12-17-18(20(22)23)19(21-25-17)14-9-6-10-15(11-14)24-2/h3-12H,1-2H3
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n/an/a 12n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR7 expressed in CHO cells assessed as inhibition of LAP-induced intracellular calcium mobilization by FLIPR


Bioorg Med Chem Lett 20: 726-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.070
BindingDB Entry DOI: 10.7270/Q2F18ZSX
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 7 (mGlu7)


(Rattus norvegicus (Rat))
BDBM50305859
PNG
(5-methyl-3,6-diphenylisoxazolo[4,5-c]pyridin-4(5H)...)
Show SMILES Cn1c(cc2onc(-c3ccccc3)c2c1=O)-c1ccccc1
Show InChI InChI=1S/C19H14N2O2/c1-21-15(13-8-4-2-5-9-13)12-16-17(19(21)22)18(20-23-16)14-10-6-3-7-11-14/h2-12H,1H3
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n/an/a 20n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR7 expressed in CHO cells assessed as inhibition of LAP-induced intracellular calcium mobilization by FLIPR


Bioorg Med Chem Lett 20: 726-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.070
BindingDB Entry DOI: 10.7270/Q2F18ZSX
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 7 (mGlu7)


(Rattus norvegicus (Rat))
BDBM50305864
PNG
(3-(2-methoxyphenyl)-5-methyl-6-phenylisoxazolo[4,5...)
Show SMILES COc1ccccc1-c1noc2cc(-c3ccccc3)n(C)c(=O)c12
Show InChI InChI=1S/C20H16N2O3/c1-22-15(13-8-4-3-5-9-13)12-17-18(20(22)23)19(21-25-17)14-10-6-7-11-16(14)24-2/h3-12H,1-2H3
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n/an/a 21n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR7 expressed in CHO cells assessed as inhibition of LAP-induced intracellular calcium mobilization by FLIPR


Bioorg Med Chem Lett 20: 726-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.070
BindingDB Entry DOI: 10.7270/Q2F18ZSX
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 7 (mGlu7)


(Rattus norvegicus (Rat))
BDBM50196289
PNG
(6-(4-methoxyphenyl)-5-methyl-3-phenylisoxazolo[4,5...)
Show SMILES COc1ccc(cc1)-c1cc2onc(-c3ccccc3)c2c(=O)n1C
Show InChI InChI=1S/C20H16N2O3/c1-22-16(13-8-10-15(24-2)11-9-13)12-17-18(20(22)23)19(21-25-17)14-6-4-3-5-7-14/h3-12H,1-2H3
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n/an/a 22n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR7 expressed in CHO cells assessed as inhibition of LAP-induced intracellular calcium mobilization by FLIPR


Bioorg Med Chem Lett 20: 726-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.070
BindingDB Entry DOI: 10.7270/Q2F18ZSX
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 7 (mGlu7)


(Rattus norvegicus (Rat))
BDBM50305877
PNG
(6-(4-methoxyphenyl)-5-methyl-3-(pyridin-4-yl)isoxa...)
Show SMILES COc1ccc(cc1)-c1cc2onc(-c3ccncc3)c2c(=O)n1C
Show InChI InChI=1S/C19H15N3O3/c1-22-15(12-3-5-14(24-2)6-4-12)11-16-17(19(22)23)18(21-25-16)13-7-9-20-10-8-13/h3-11H,1-2H3
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n/an/a 26n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR7 expressed in CHO cells assessed as inhibition of LAP-induced intracellular calcium mobilization by FLIPR


Bioorg Med Chem Lett 20: 726-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.070
BindingDB Entry DOI: 10.7270/Q2F18ZSX
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 7 (mGlu7)


(Rattus norvegicus (Rat))
BDBM50196291
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-5-methyl-3-phenylisox...)
Show SMILES Cn1c(cc2onc(-c3ccccc3)c2c1=O)-c1ccc2OCOc2c1
Show InChI InChI=1S/C20H14N2O4/c1-22-14(13-7-8-15-16(9-13)25-11-24-15)10-17-18(20(22)23)19(21-26-17)12-5-3-2-4-6-12/h2-10H,11H2,1H3
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Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR7 expressed in CHO cells assessed as inhibition of LAP-induced intracellular calcium mobilization by FLIPR


Bioorg Med Chem Lett 20: 726-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.070
BindingDB Entry DOI: 10.7270/Q2F18ZSX
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 7 (mGlu7)


(Rattus norvegicus (Rat))
BDBM50305862
PNG
(3-(4-methoxyphenyl)-5-methyl-6-phenylisoxazolo[4,5...)
Show SMILES COc1ccc(cc1)-c1noc2cc(-c3ccccc3)n(C)c(=O)c12
Show InChI InChI=1S/C20H16N2O3/c1-22-16(13-6-4-3-5-7-13)12-17-18(20(22)23)19(21-25-17)14-8-10-15(24-2)11-9-14/h3-12H,1-2H3
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Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR7 expressed in CHO cells assessed as inhibition of LAP-induced intracellular calcium mobilization by FLIPR


Bioorg Med Chem Lett 20: 726-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.070
BindingDB Entry DOI: 10.7270/Q2F18ZSX
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 7 (mGlu7)


(Rattus norvegicus (Rat))
BDBM50305873
PNG
(6-(3-(dimethylamino)phenyl)-5-methyl-3-phenylisoxa...)
Show SMILES CN(C)c1cccc(c1)-c1cc2onc(-c3ccccc3)c2c(=O)n1C
Show InChI InChI=1S/C21H19N3O2/c1-23(2)16-11-7-10-15(12-16)17-13-18-19(21(25)24(17)3)20(22-26-18)14-8-5-4-6-9-14/h4-13H,1-3H3
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Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR7 expressed in CHO cells assessed as inhibition of LAP-induced intracellular calcium mobilization by FLIPR


Bioorg Med Chem Lett 20: 726-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.070
BindingDB Entry DOI: 10.7270/Q2F18ZSX
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 7 (mGlu7)


(Rattus norvegicus (Rat))
BDBM50305868
PNG
(5-methyl-3-phenyl-6-p-tolylisoxazolo[4,5-c]pyridin...)
Show SMILES Cc1ccc(cc1)-c1cc2onc(-c3ccccc3)c2c(=O)n1C
Show InChI InChI=1S/C20H16N2O2/c1-13-8-10-14(11-9-13)16-12-17-18(20(23)22(16)2)19(21-24-17)15-6-4-3-5-7-15/h3-12H,1-2H3
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n/an/a 51n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR7 expressed in CHO cells assessed as inhibition of LAP-induced intracellular calcium mobilization by FLIPR


Bioorg Med Chem Lett 20: 726-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.070
BindingDB Entry DOI: 10.7270/Q2F18ZSX
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 7 (mGlu7)


(Rattus norvegicus (Rat))
BDBM50305869
PNG
(6-(4-fluorophenyl)-5-methyl-3-phenylisoxazolo[4,5-...)
Show SMILES Cn1c(cc2onc(-c3ccccc3)c2c1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C19H13FN2O2/c1-22-15(12-7-9-14(20)10-8-12)11-16-17(19(22)23)18(21-24-16)13-5-3-2-4-6-13/h2-11H,1H3
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n/an/a 72n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR7 expressed in CHO cells assessed as inhibition of LAP-induced intracellular calcium mobilization by FLIPR


Bioorg Med Chem Lett 20: 726-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.070
BindingDB Entry DOI: 10.7270/Q2F18ZSX
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 7 (mGlu7)


(Rattus norvegicus (Rat))
BDBM50305874
PNG
(5-methyl-3-phenyl-6-(3-(trifluoromethyl)phenyl)iso...)
Show SMILES Cn1c(cc2onc(-c3ccccc3)c2c1=O)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C20H13F3N2O2/c1-25-15(13-8-5-9-14(10-13)20(21,22)23)11-16-17(19(25)26)18(24-27-16)12-6-3-2-4-7-12/h2-11H,1H3
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n/an/a 96n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR7 expressed in CHO cells assessed as inhibition of LAP-induced intracellular calcium mobilization by FLIPR


Bioorg Med Chem Lett 20: 726-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.070
BindingDB Entry DOI: 10.7270/Q2F18ZSX
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 7 (mGlu7)


(Rattus norvegicus (Rat))
BDBM50305865
PNG
(5-methyl-6-phenyl-3-(pyridin-4-yl)isoxazolo[4,5-c]...)
Show SMILES Cn1c(cc2onc(-c3ccncc3)c2c1=O)-c1ccccc1
Show InChI InChI=1S/C18H13N3O2/c1-21-14(12-5-3-2-4-6-12)11-15-16(18(21)22)17(20-23-15)13-7-9-19-10-8-13/h2-11H,1H3
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n/an/a 101n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR7 expressed in CHO cells assessed as inhibition of LAP-induced intracellular calcium mobilization by FLIPR


Bioorg Med Chem Lett 20: 726-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.070
BindingDB Entry DOI: 10.7270/Q2F18ZSX
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 7 (mGlu7)


(Rattus norvegicus (Rat))
BDBM50305870
PNG
(6-(4-(dimethylamino)phenyl)-5-methyl-3-phenylisoxa...)
Show SMILES CN(C)c1ccc(cc1)-c1cc2onc(-c3ccccc3)c2c(=O)n1C
Show InChI InChI=1S/C21H19N3O2/c1-23(2)16-11-9-14(10-12-16)17-13-18-19(21(25)24(17)3)20(22-26-18)15-7-5-4-6-8-15/h4-13H,1-3H3
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Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR7 expressed in CHO cells assessed as inhibition of LAP-induced intracellular calcium mobilization by FLIPR


Bioorg Med Chem Lett 20: 726-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.070
BindingDB Entry DOI: 10.7270/Q2F18ZSX
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 7 (mGlu7)


(Rattus norvegicus (Rat))
BDBM50305872
PNG
(5-methyl-3-phenyl-6-(4-propylphenyl)isoxazolo[4,5-...)
Show SMILES CCCc1ccc(cc1)-c1cc2onc(-c3ccccc3)c2c(=O)n1C
Show InChI InChI=1S/C22H20N2O2/c1-3-7-15-10-12-16(13-11-15)18-14-19-20(22(25)24(18)2)21(23-26-19)17-8-5-4-6-9-17/h4-6,8-14H,3,7H2,1-2H3
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n/an/a 150n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR7 expressed in CHO cells assessed as inhibition of LAP-induced intracellular calcium mobilization by FLIPR


Bioorg Med Chem Lett 20: 726-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.070
BindingDB Entry DOI: 10.7270/Q2F18ZSX
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 7 (mGlu7)


(Rattus norvegicus (Rat))
BDBM50305875
PNG
(6-(3-fluoro-4-methoxyphenyl)-5-methyl-3-phenylisox...)
Show SMILES COc1ccc(cc1F)-c1cc2onc(-c3ccccc3)c2c(=O)n1C
Show InChI InChI=1S/C20H15FN2O3/c1-23-15(13-8-9-16(25-2)14(21)10-13)11-17-18(20(23)24)19(22-26-17)12-6-4-3-5-7-12/h3-11H,1-2H3
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n/an/a 210n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR7 expressed in CHO cells assessed as inhibition of LAP-induced intracellular calcium mobilization by FLIPR


Bioorg Med Chem Lett 20: 726-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.070
BindingDB Entry DOI: 10.7270/Q2F18ZSX
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 7 (mGlu7)


(Rattus norvegicus (Rat))
BDBM50305866
PNG
(5-methyl-6-phenyl-3-(pyridin-3-yl)isoxazolo[4,5-c]...)
Show SMILES Cn1c(cc2onc(-c3cccnc3)c2c1=O)-c1ccccc1
Show InChI InChI=1S/C18H13N3O2/c1-21-14(12-6-3-2-4-7-12)10-15-16(18(21)22)17(20-23-15)13-8-5-9-19-11-13/h2-11H,1H3
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Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR7 expressed in CHO cells assessed as inhibition of LAP-induced intracellular calcium mobilization by FLIPR


Bioorg Med Chem Lett 20: 726-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.070
BindingDB Entry DOI: 10.7270/Q2F18ZSX
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 7 (mGlu7)


(Rattus norvegicus (Rat))
BDBM50305876
PNG
(6-(3-bromo-4-methoxyphenyl)-5-methyl-3-phenylisoxa...)
Show SMILES COc1ccc(cc1Br)-c1cc2onc(-c3ccccc3)c2c(=O)n1C
Show InChI InChI=1S/C20H15BrN2O3/c1-23-15(13-8-9-16(25-2)14(21)10-13)11-17-18(20(23)24)19(22-26-17)12-6-4-3-5-7-12/h3-11H,1-2H3
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Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR7 expressed in CHO cells assessed as inhibition of LAP-induced intracellular calcium mobilization by FLIPR


Bioorg Med Chem Lett 20: 726-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.070
BindingDB Entry DOI: 10.7270/Q2F18ZSX
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 7 (mGlu7)


(Rattus norvegicus (Rat))
BDBM50305860
PNG
(5-ethyl-3,6-diphenylisoxazolo[4,5-c]pyridin-4(5H)-...)
Show SMILES CCn1c(cc2onc(-c3ccccc3)c2c1=O)-c1ccccc1
Show InChI InChI=1S/C20H16N2O2/c1-2-22-16(14-9-5-3-6-10-14)13-17-18(20(22)23)19(21-24-17)15-11-7-4-8-12-15/h3-13H,2H2,1H3
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n/an/a 910n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR7 expressed in CHO cells assessed as inhibition of LAP-induced intracellular calcium mobilization by FLIPR


Bioorg Med Chem Lett 20: 726-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.070
BindingDB Entry DOI: 10.7270/Q2F18ZSX
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 7 (mGlu7)


(Rattus norvegicus (Rat))
BDBM50305867
PNG
(5-methyl-6-phenyl-3-(pyridin-2-yl)isoxazolo[4,5-c]...)
Show SMILES Cn1c(cc2onc(-c3ccccn3)c2c1=O)-c1ccccc1
Show InChI InChI=1S/C18H13N3O2/c1-21-14(12-7-3-2-4-8-12)11-15-16(18(21)22)17(20-23-15)13-9-5-6-10-19-13/h2-11H,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR7 expressed in CHO cells assessed as inhibition of LAP-induced intracellular calcium mobilization by FLIPR


Bioorg Med Chem Lett 20: 726-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.070
BindingDB Entry DOI: 10.7270/Q2F18ZSX
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 7 (mGlu7)


(Rattus norvegicus (Rat))
BDBM50305861
PNG
(5-isopropyl-3,6-diphenylisoxazolo[4,5-c]pyridin-4(...)
Show SMILES CC(C)n1c(cc2onc(-c3ccccc3)c2c1=O)-c1ccccc1
Show InChI InChI=1S/C21H18N2O2/c1-14(2)23-17(15-9-5-3-6-10-15)13-18-19(21(23)24)20(22-25-18)16-11-7-4-8-12-16/h3-14H,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR7 expressed in CHO cells assessed as inhibition of LAP-induced intracellular calcium mobilization by FLIPR


Bioorg Med Chem Lett 20: 726-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.070
BindingDB Entry DOI: 10.7270/Q2F18ZSX
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 7 (mGlu7)


(Rattus norvegicus (Rat))
BDBM50305871
PNG
(6-(4-isopropoxyphenyl)-5-methyl-3-phenylisoxazolo[...)
Show SMILES CC(C)Oc1ccc(cc1)-c1cc2onc(-c3ccccc3)c2c(=O)n1C
Show InChI InChI=1S/C22H20N2O3/c1-14(2)26-17-11-9-15(10-12-17)18-13-19-20(22(25)24(18)3)21(23-27-19)16-7-5-4-6-8-16/h4-14H,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR7 expressed in CHO cells assessed as inhibition of LAP-induced intracellular calcium mobilization by FLIPR


Bioorg Med Chem Lett 20: 726-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.070
BindingDB Entry DOI: 10.7270/Q2F18ZSX
More data for this
Ligand-Target Pair