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Compile Data Set for Download or QSAR

Found 149 hits with Last Name = 'boije' and Initial = 'm'   
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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50034368
PNG
(CHEMBL28313 | Trifluoro-methanesulfonic acid 7-pro...)
Show SMILES CCCNC1CCc2cccc(OS(=O)(=O)C(F)(F)F)c2C1
Show InChI InChI=1S/C14H18F3NO3S/c1-2-8-18-11-7-6-10-4-3-5-13(12(10)9-11)21-22(19,20)14(15,16)17/h3-5,11,18H,2,6-9H2,1H3
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3.80n/an/an/an/an/an/an/an/a



Medicinaregatan

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor in homogenated rat brain tissue, using by [3H]8-OH-DPAT as radioligand


J Med Chem 36: 3409-16 (1993)


BindingDB Entry DOI: 10.7270/Q2X067NP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM21393
PNG
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
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8.70n/an/an/an/an/an/an/an/a



Medicinaregatan

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor in homogenated rat brain tissue, using by [3H]8-OH-DPAT as radioligand


J Med Chem 36: 3409-16 (1993)


BindingDB Entry DOI: 10.7270/Q2X067NP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50034366
PNG
(CHEMBL28437 | Trifluoro-methanesulfonic acid 7-dip...)
Show SMILES CCCN(CCC)C1CCc2cccc(OS(=O)(=O)C(F)(F)F)c2C1
Show InChI InChI=1S/C17H24F3NO3S/c1-3-10-21(11-4-2)14-9-8-13-6-5-7-16(15(13)12-14)24-25(22,23)17(18,19)20/h5-7,14H,3-4,8-12H2,1-2H3
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9.60n/an/an/an/an/an/an/an/a



Medicinaregatan

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor in homogenated rat brain tissue, using by [3H]8-OH-DPAT as radioligand


J Med Chem 36: 3409-16 (1993)


BindingDB Entry DOI: 10.7270/Q2X067NP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50016737
PNG
((8-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-dip...)
Show SMILES CCCN(CCC)C1CCc2cccc(OC)c2C1
Show InChI InChI=1S/C17H27NO/c1-4-11-18(12-5-2)15-10-9-14-7-6-8-17(19-3)16(14)13-15/h6-8,15H,4-5,9-13H2,1-3H3
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10n/an/an/an/an/an/an/an/a



Medicinaregatan

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor in homogenated rat brain tissue, using by [3H]8-OH-DPAT as radioligand


J Med Chem 36: 3409-16 (1993)


BindingDB Entry DOI: 10.7270/Q2X067NP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50020221
PNG
((-)-5-hydroxy-2-(dipropylamino)tetralin | (-)-6-(d...)
Show SMILES CCCN(CCC)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)18/h5-7,14,18H,3-4,8-12H2,1-2H3
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11n/an/an/an/an/an/an/an/a



Medicinaregatan

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 in rat brain tissue using [3H]spiperone


J Med Chem 36: 3409-16 (1993)


BindingDB Entry DOI: 10.7270/Q2X067NP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50042341
PNG
(CHEMBL324750 | Trifluoro-methanesulfonic acid 6-di...)
Show SMILES CCCN(CCC)C1CCc2c(C1)cccc2OS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C17H24F3NO3S/c1-3-10-21(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)24-25(22,23)17(18,19)20/h5-7,14H,3-4,8-12H2,1-2H3
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28n/an/an/an/an/an/an/an/a



Medicinaregatan

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 in homogenated rat brain tissue, using by ([3H]N00437) as radioligand


J Med Chem 36: 3409-16 (1993)


BindingDB Entry DOI: 10.7270/Q2X067NP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50020222
PNG
((+/-)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthal...)
Show SMILES CCCN(CCC)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C16H25NO/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3
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54n/an/an/an/an/an/an/an/a



Medicinaregatan

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 in rat brain tissue using [3H]spiperone


J Med Chem 36: 3409-16 (1993)


BindingDB Entry DOI: 10.7270/Q2X067NP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50042341
PNG
(CHEMBL324750 | Trifluoro-methanesulfonic acid 6-di...)
Show SMILES CCCN(CCC)C1CCc2c(C1)cccc2OS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C17H24F3NO3S/c1-3-10-21(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)24-25(22,23)17(18,19)20/h5-7,14H,3-4,8-12H2,1-2H3
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64n/an/an/an/an/an/an/an/a



Medicinaregatan

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 in rat brain tissue using [3H]spiperone


J Med Chem 36: 3409-16 (1993)


BindingDB Entry DOI: 10.7270/Q2X067NP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50042339
PNG
(CHEMBL442203 | Trifluoro-methanesulfonic acid 6-di...)
Show SMILES CCCN(CCC)C1CCc2cc(OS(=O)(=O)C(F)(F)F)ccc2C1
Show InChI InChI=1S/C17H24F3NO3S/c1-3-9-21(10-4-2)15-7-5-14-12-16(8-6-13(14)11-15)24-25(22,23)17(18,19)20/h6,8,12,15H,3-5,7,9-11H2,1-2H3
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99n/an/an/an/an/an/an/an/a



Medicinaregatan

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 in homogenated rat brain tissue, using by ([3H]N00437) as radioligand


J Med Chem 36: 3409-16 (1993)


BindingDB Entry DOI: 10.7270/Q2X067NP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50042343
PNG
((5-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-dip...)
Show SMILES CCCN(CCC)C1CCc2c(C1)cccc2OC
Show InChI InChI=1S/C17H27NO/c1-4-11-18(12-5-2)15-9-10-16-14(13-15)7-6-8-17(16)19-3/h6-8,15H,4-5,9-13H2,1-3H3
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100n/an/an/an/an/an/an/an/a



Medicinaregatan

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 in rat brain tissue using [3H]spiperone


J Med Chem 36: 3409-16 (1993)


BindingDB Entry DOI: 10.7270/Q2X067NP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50042340
PNG
(CHEMBL114433 | Trifluoro-methanesulfonic acid 7-di...)
Show SMILES CCCN(CCC)C1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1
Show InChI InChI=1S/C17H24F3NO3S/c1-3-9-21(10-4-2)15-7-5-13-6-8-16(12-14(13)11-15)24-25(22,23)17(18,19)20/h6,8,12,15H,3-5,7,9-11H2,1-2H3
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150n/an/an/an/an/an/an/an/a



Medicinaregatan

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 in homogenated rat brain tissue, using by ([3H]N00437) as radioligand


J Med Chem 36: 3409-16 (1993)


BindingDB Entry DOI: 10.7270/Q2X067NP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50042341
PNG
(CHEMBL324750 | Trifluoro-methanesulfonic acid 6-di...)
Show SMILES CCCN(CCC)C1CCc2c(C1)cccc2OS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C17H24F3NO3S/c1-3-10-21(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)24-25(22,23)17(18,19)20/h5-7,14H,3-4,8-12H2,1-2H3
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160n/an/an/an/an/an/an/an/a



Medicinaregatan

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor in homogenated rat brain tissue, using by [3H]8-OH-DPAT as radioligand


J Med Chem 36: 3409-16 (1993)


BindingDB Entry DOI: 10.7270/Q2X067NP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50016737
PNG
((8-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-dip...)
Show SMILES CCCN(CCC)C1CCc2cccc(OC)c2C1
Show InChI InChI=1S/C17H27NO/c1-4-11-18(12-5-2)15-10-9-14-7-6-8-17(19-3)16(14)13-15/h6-8,15H,4-5,9-13H2,1-3H3
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160n/an/an/an/an/an/an/an/a



Medicinaregatan

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 in homogenated rat brain tissue, using by [3H]spiperone as radioligand


J Med Chem 36: 3409-16 (1993)


BindingDB Entry DOI: 10.7270/Q2X067NP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50054067
PNG
((2R)-7-Dipropylamino-5,6,7,8-tetrahydro-naphthalen...)
Show SMILES CCCN(CCC)[C@@H]1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C16H25NO/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3/t15-/m1/s1
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340n/an/an/an/an/an/an/an/a



Medicinaregatan

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 in rat brain tissue using [3H]spiperone


J Med Chem 36: 3409-16 (1993)


BindingDB Entry DOI: 10.7270/Q2X067NP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50042340
PNG
(CHEMBL114433 | Trifluoro-methanesulfonic acid 7-di...)
Show SMILES CCCN(CCC)C1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1
Show InChI InChI=1S/C17H24F3NO3S/c1-3-9-21(10-4-2)15-7-5-13-6-8-16(12-14(13)11-15)24-25(22,23)17(18,19)20/h6,8,12,15H,3-5,7,9-11H2,1-2H3
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360n/an/an/an/an/an/an/an/a



Medicinaregatan

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor in homogenated rat brain tissue, using by [3H]8-OH-DPAT as radioligand


J Med Chem 36: 3409-16 (1993)


BindingDB Entry DOI: 10.7270/Q2X067NP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50042343
PNG
((5-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-dip...)
Show SMILES CCCN(CCC)C1CCc2c(C1)cccc2OC
Show InChI InChI=1S/C17H27NO/c1-4-11-18(12-5-2)15-9-10-16-14(13-15)7-6-8-17(16)19-3/h6-8,15H,4-5,9-13H2,1-3H3
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440n/an/an/an/an/an/an/an/a



Medicinaregatan

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor in homogenated rat brain tissue, using by [3H]8-OH-DPAT as radioligand


J Med Chem 36: 3409-16 (1993)


BindingDB Entry DOI: 10.7270/Q2X067NP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50034366
PNG
(CHEMBL28437 | Trifluoro-methanesulfonic acid 7-dip...)
Show SMILES CCCN(CCC)C1CCc2cccc(OS(=O)(=O)C(F)(F)F)c2C1
Show InChI InChI=1S/C17H24F3NO3S/c1-3-10-21(11-4-2)14-9-8-13-6-5-7-16(15(13)12-14)24-25(22,23)17(18,19)20/h5-7,14H,3-4,8-12H2,1-2H3
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670n/an/an/an/an/an/an/an/a



Medicinaregatan

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 in rat brain tissue using [3H]spiperone


J Med Chem 36: 3409-16 (1993)


BindingDB Entry DOI: 10.7270/Q2X067NP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50020221
PNG
((-)-5-hydroxy-2-(dipropylamino)tetralin | (-)-6-(d...)
Show SMILES CCCN(CCC)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)18/h5-7,14,18H,3-4,8-12H2,1-2H3
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1.04E+3n/an/an/an/an/an/an/an/a



Medicinaregatan

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor in homogenated rat brain tissue, using by [3H]8-OH-DPAT as radioligand


J Med Chem 36: 3409-16 (1993)


BindingDB Entry DOI: 10.7270/Q2X067NP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50042340
PNG
(CHEMBL114433 | Trifluoro-methanesulfonic acid 7-di...)
Show SMILES CCCN(CCC)C1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1
Show InChI InChI=1S/C17H24F3NO3S/c1-3-9-21(10-4-2)15-7-5-13-6-8-16(12-14(13)11-15)24-25(22,23)17(18,19)20/h6,8,12,15H,3-5,7,9-11H2,1-2H3
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1.30E+3n/an/an/an/an/an/an/an/a



Medicinaregatan

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 in rat brain tissue using [3H]spiperone


J Med Chem 36: 3409-16 (1993)


BindingDB Entry DOI: 10.7270/Q2X067NP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM21393
PNG
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
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1.36E+3n/an/an/an/an/an/an/an/a



Medicinaregatan

Curated by ChEMBL


Assay Description
Binding affinity against D2 receptor in homogenated rat brain tissue, using by [3H]spiperone as radioligand


J Med Chem 36: 3409-16 (1993)


BindingDB Entry DOI: 10.7270/Q2X067NP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50034368
PNG
(CHEMBL28313 | Trifluoro-methanesulfonic acid 7-pro...)
Show SMILES CCCNC1CCc2cccc(OS(=O)(=O)C(F)(F)F)c2C1
Show InChI InChI=1S/C14H18F3NO3S/c1-2-8-18-11-7-6-10-4-3-5-13(12(10)9-11)21-22(19,20)14(15,16)17/h3-5,11,18H,2,6-9H2,1H3
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1.36E+3n/an/an/an/an/an/an/an/a



Medicinaregatan

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 in rat brain tissue using [3H]spiperone


J Med Chem 36: 3409-16 (1993)


BindingDB Entry DOI: 10.7270/Q2X067NP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50042339
PNG
(CHEMBL442203 | Trifluoro-methanesulfonic acid 6-di...)
Show SMILES CCCN(CCC)C1CCc2cc(OS(=O)(=O)C(F)(F)F)ccc2C1
Show InChI InChI=1S/C17H24F3NO3S/c1-3-9-21(10-4-2)15-7-5-14-12-16(8-6-13(14)11-15)24-25(22,23)17(18,19)20/h6,8,12,15H,3-5,7,9-11H2,1-2H3
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1.57E+3n/an/an/an/an/an/an/an/a



Medicinaregatan

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 in homogenated rat brain tissue, using by ([3H]N00437) as radioligand


J Med Chem 36: 3409-16 (1993)


BindingDB Entry DOI: 10.7270/Q2X067NP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50020222
PNG
((+/-)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthal...)
Show SMILES CCCN(CCC)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C16H25NO/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3
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2.80E+3n/an/an/an/an/an/an/an/a



Medicinaregatan

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor in homogenated rat brain tissue, using by [3H]8-OH-DPAT as radioligand


J Med Chem 36: 3409-16 (1993)


BindingDB Entry DOI: 10.7270/Q2X067NP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50054067
PNG
((2R)-7-Dipropylamino-5,6,7,8-tetrahydro-naphthalen...)
Show SMILES CCCN(CCC)[C@@H]1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C16H25NO/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3/t15-/m1/s1
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3.26E+3n/an/an/an/an/an/an/an/a



Medicinaregatan

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor in homogenated rat brain tissue, using by [3H]8-OH-DPAT as radioligand


J Med Chem 36: 3409-16 (1993)


BindingDB Entry DOI: 10.7270/Q2X067NP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50042339
PNG
(CHEMBL442203 | Trifluoro-methanesulfonic acid 6-di...)
Show SMILES CCCN(CCC)C1CCc2cc(OS(=O)(=O)C(F)(F)F)ccc2C1
Show InChI InChI=1S/C17H24F3NO3S/c1-3-9-21(10-4-2)15-7-5-14-12-16(8-6-13(14)11-15)24-25(22,23)17(18,19)20/h6,8,12,15H,3-5,7,9-11H2,1-2H3
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1.60E+4n/an/an/an/an/an/an/an/a



Medicinaregatan

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor in homogenated rat brain tissue, using by [3H]8-OH-DPAT as radioligand


J Med Chem 36: 3409-16 (1993)


BindingDB Entry DOI: 10.7270/Q2X067NP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50191127
PNG
(2-(4-(3-chlorophenyl)but-1-ynyl)-6-methylpyridine ...)
Show SMILES Cc1cccc(n1)C#CCCc1cccc(Cl)c1
Show InChI InChI=1S/C16H14ClN/c1-13-6-4-11-16(18-13)10-3-2-7-14-8-5-9-15(17)12-14/h4-6,8-9,11-12H,2,7H2,1H3
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Activity at human mGluR5d assessed as inhibition of glutamate-induced calcium influx by FLIPR assay


Bioorg Med Chem Lett 16: 4788-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.078
BindingDB Entry DOI: 10.7270/Q2VX0G48
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50191139
PNG
(2-(3-(3,4-dichlorophenoxy)prop-1-ynyl)-6-methylpyr...)
Show SMILES Cc1cccc(n1)C#CCOc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H11Cl2NO/c1-11-4-2-5-12(18-11)6-3-9-19-13-7-8-14(16)15(17)10-13/h2,4-5,7-8,10H,9H2,1H3
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n/an/a 15n/an/an/an/an/an/a



AstraZeneca R&D M£lndal

Curated by ChEMBL


Assay Description
Activity at human mGluR5 assessed as effect on glutamate-induced calcium ion mobilization by FLIPR


Bioorg Med Chem Lett 16: 4792-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.079
BindingDB Entry DOI: 10.7270/Q2M32WKC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50084137
PNG
(2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-ph...)
Show SMILES Cc1cccc(n1)C#Cc1ccccc1
Show InChI InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3
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n/an/a 22n/an/an/an/an/an/a



AstraZeneca R&D M£lndal

Curated by ChEMBL


Assay Description
Activity at human mGluR5 assessed as effect on glutamate-induced calcium ion mobilization by FLIPR


Bioorg Med Chem Lett 16: 4792-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.079
BindingDB Entry DOI: 10.7270/Q2M32WKC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50191149
PNG
(2-methyl-6-(3-(5,6,7,8-tetrahydronaphthalen-2-ylox...)
Show SMILES Cc1cccc(n1)C#CCOc1ccc2CCCCc2c1
Show InChI InChI=1S/C19H19NO/c1-15-6-4-9-18(20-15)10-5-13-21-19-12-11-16-7-2-3-8-17(16)14-19/h4,6,9,11-12,14H,2-3,7-8,13H2,1H3
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n/an/a 36n/an/an/an/an/an/a



AstraZeneca R&D M£lndal

Curated by ChEMBL


Assay Description
Activity at human mGluR5 assessed as effect on glutamate-induced calcium ion mobilization by FLIPR


Bioorg Med Chem Lett 16: 4792-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.079
BindingDB Entry DOI: 10.7270/Q2M32WKC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50191116
PNG
(2-(3-(3-chlorophenylthio)prop-1-ynyl)-6-methylpyri...)
Show SMILES Cc1cccc(n1)C#CCSc1cccc(Cl)c1
Show InChI InChI=1S/C15H12ClNS/c1-12-5-2-7-14(17-12)8-4-10-18-15-9-3-6-13(16)11-15/h2-3,5-7,9,11H,10H2,1H3
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n/an/a 43n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Activity at human mGluR5d assessed as inhibition of glutamate-induced calcium influx by FLIPR assay


Bioorg Med Chem Lett 16: 4788-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.078
BindingDB Entry DOI: 10.7270/Q2VX0G48
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50191124
PNG
(2-methyl-6-(4-phenylpent-1-ynyl)pyridine | CHEMBL2...)
Show SMILES CC(CC#Cc1cccc(C)n1)c1ccccc1
Show InChI InChI=1S/C17H17N/c1-14(16-10-4-3-5-11-16)8-6-12-17-13-7-9-15(2)18-17/h3-5,7,9-11,13-14H,8H2,1-2H3
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n/an/a 59n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Activity at human mGluR5d assessed as inhibition of glutamate-induced calcium influx by FLIPR assay


Bioorg Med Chem Lett 16: 4788-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.078
BindingDB Entry DOI: 10.7270/Q2VX0G48
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50122758
PNG
(2-methyl-4-(pyridin-3-ylethynyl)thiazole | 3-(2-(2...)
Show SMILES Cc1nc(cs1)C#Cc1cccnc1
Show InChI InChI=1S/C11H8N2S/c1-9-13-11(8-14-9)5-4-10-3-2-6-12-7-10/h2-3,6-8H,1H3
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n/an/a 77n/an/an/an/an/an/a



AstraZeneca R&D M£lndal

Curated by ChEMBL


Assay Description
Activity at human mGluR5 assessed as effect on glutamate-induced calcium ion mobilization by FLIPR


Bioorg Med Chem Lett 16: 4792-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.079
BindingDB Entry DOI: 10.7270/Q2M32WKC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50191117
PNG
(2-methyl-6-(4-phenylbut-1-ynyl)pyridine | CHEMBL21...)
Show SMILES Cc1cccc(n1)C#CCCc1ccccc1
Show InChI InChI=1S/C16H15N/c1-14-8-7-13-16(17-14)12-6-5-11-15-9-3-2-4-10-15/h2-4,7-10,13H,5,11H2,1H3
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n/an/a 78n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Activity at human mGluR5d assessed as inhibition of glutamate-induced calcium influx by FLIPR assay


Bioorg Med Chem Lett 16: 4788-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.078
BindingDB Entry DOI: 10.7270/Q2VX0G48
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50191146
PNG
(2-(3-(4-isopropylphenoxy)prop-1-ynyl)-6-methylpyri...)
Show SMILES CC(C)c1ccc(OCC#Cc2cccc(C)n2)cc1
Show InChI InChI=1S/C18H19NO/c1-14(2)16-9-11-18(12-10-16)20-13-5-8-17-7-4-6-15(3)19-17/h4,6-7,9-12,14H,13H2,1-3H3
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n/an/a 83n/an/an/an/an/an/a



AstraZeneca R&D M£lndal

Curated by ChEMBL


Assay Description
Activity at human mGluR5 assessed as effect on glutamate-induced calcium ion mobilization by FLIPR


Bioorg Med Chem Lett 16: 4792-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.079
BindingDB Entry DOI: 10.7270/Q2M32WKC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50191157
PNG
(2-(3-(3-chlorophenoxy)prop-1-ynyl)-6-methylpyridin...)
Show SMILES Cc1cccc(n1)C#CCOc1cccc(Cl)c1
Show InChI InChI=1S/C15H12ClNO/c1-12-5-2-7-14(17-12)8-4-10-18-15-9-3-6-13(16)11-15/h2-3,5-7,9,11H,10H2,1H3
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n/an/a 101n/an/an/an/an/an/a



AstraZeneca R&D M£lndal

Curated by ChEMBL


Assay Description
Activity at human mGluR5 assessed as effect on glutamate-induced calcium ion mobilization by FLIPR


Bioorg Med Chem Lett 16: 4792-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.079
BindingDB Entry DOI: 10.7270/Q2M32WKC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50191147
PNG
(2-(3-(4-chlorophenoxy)prop-1-ynyl)-6-methylpyridin...)
Show SMILES Cc1cccc(n1)C#CCOc1ccc(Cl)cc1
Show InChI InChI=1S/C15H12ClNO/c1-12-4-2-5-14(17-12)6-3-11-18-15-9-7-13(16)8-10-15/h2,4-5,7-10H,11H2,1H3
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n/an/a 102n/an/an/an/an/an/a



AstraZeneca R&D M£lndal

Curated by ChEMBL


Assay Description
Activity at human mGluR5 assessed as effect on glutamate-induced calcium ion mobilization by FLIPR


Bioorg Med Chem Lett 16: 4792-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.079
BindingDB Entry DOI: 10.7270/Q2M32WKC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50191151
PNG
(2-methyl-6-(3-(p-tolyloxy)prop-1-ynyl)pyridine | C...)
Show SMILES Cc1ccc(OCC#Cc2cccc(C)n2)cc1
Show InChI InChI=1S/C16H15NO/c1-13-8-10-16(11-9-13)18-12-4-7-15-6-3-5-14(2)17-15/h3,5-6,8-11H,12H2,1-2H3
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n/an/a 115n/an/an/an/an/an/a



AstraZeneca R&D M£lndal

Curated by ChEMBL


Assay Description
Activity at human mGluR5 assessed as effect on glutamate-induced calcium ion mobilization by FLIPR


Bioorg Med Chem Lett 16: 4792-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.079
BindingDB Entry DOI: 10.7270/Q2M32WKC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50191129
PNG
(2-(3-(3-chlorophenylthio)but-1-ynyl)-6-methylpyrid...)
Show SMILES CC(Sc1cccc(Cl)c1)C#Cc1cccc(C)n1
Show InChI InChI=1S/C16H14ClNS/c1-12-5-3-7-15(18-12)10-9-13(2)19-16-8-4-6-14(17)11-16/h3-8,11,13H,1-2H3
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n/an/a 118n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Activity at human mGluR5d assessed as inhibition of glutamate-induced calcium influx by FLIPR assay


Bioorg Med Chem Lett 16: 4788-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.078
BindingDB Entry DOI: 10.7270/Q2VX0G48
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50191130
PNG
(3-chloro-N-(3-(6-methylpyridin-2-yl)prop-2-ynyl)be...)
Show SMILES Cc1cccc(n1)C#CCNc1cccc(Cl)c1
Show InChI InChI=1S/C15H13ClN2/c1-12-5-2-7-14(18-12)9-4-10-17-15-8-3-6-13(16)11-15/h2-3,5-8,11,17H,10H2,1H3
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n/an/a 174n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Activity at human mGluR5d assessed as inhibition of glutamate-induced calcium influx by FLIPR assay


Bioorg Med Chem Lett 16: 4788-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.078
BindingDB Entry DOI: 10.7270/Q2VX0G48
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50191131
PNG
(CHEMBL214823 | N-(3-(6-methylpyridin-2-yl)prop-2-y...)
Show SMILES Cc1cccc(n1)C#CCNc1ccccc1
Show InChI InChI=1S/C15H14N2/c1-13-7-5-10-15(17-13)11-6-12-16-14-8-3-2-4-9-14/h2-5,7-10,16H,12H2,1H3
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n/an/a 223n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Activity at human mGluR5d assessed as inhibition of glutamate-induced calcium influx by FLIPR assay


Bioorg Med Chem Lett 16: 4788-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.078
BindingDB Entry DOI: 10.7270/Q2VX0G48
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50191123
PNG
(2-methyl-6-(5-phenylpent-1-ynyl)pyridine | CHEMBL3...)
Show SMILES Cc1cccc(n1)C#CCCCc1ccccc1
Show InChI InChI=1S/C17H17N/c1-15-9-8-14-17(18-15)13-7-3-6-12-16-10-4-2-5-11-16/h2,4-5,8-11,14H,3,6,12H2,1H3
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n/an/a 258n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Activity at human mGluR5d assessed as inhibition of glutamate-induced calcium influx by FLIPR assay


Bioorg Med Chem Lett 16: 4788-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.078
BindingDB Entry DOI: 10.7270/Q2VX0G48
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50191118
PNG
(2-(3-(3-chlorophenoxy)but-1-ynyl)-6-methylpyridine...)
Show SMILES CC(Oc1cccc(Cl)c1)C#Cc1cccc(C)n1
Show InChI InChI=1S/C16H14ClNO/c1-12-5-3-7-15(18-12)10-9-13(2)19-16-8-4-6-14(17)11-16/h3-8,11,13H,1-2H3
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n/an/a 281n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Activity at human mGluR5d assessed as inhibition of glutamate-induced calcium influx by FLIPR assay


Bioorg Med Chem Lett 16: 4788-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.078
BindingDB Entry DOI: 10.7270/Q2VX0G48
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50191148
PNG
(2-(3-fluoro-5-(3-(pyridin-2-yl)prop-2-ynyloxy)phen...)
Show SMILES CCC([O-])(C[O-])c1cc(F)cc(OCC#Cc2ccccn2)c1
Show InChI InChI=1S/C18H16FNO3/c1-2-18(22,13-21)14-10-15(19)12-17(11-14)23-9-5-7-16-6-3-4-8-20-16/h3-4,6,8,10-12H,2,9,13H2,1H3/q-2
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n/an/a 300n/an/an/an/an/an/a



AstraZeneca R&D M£lndal

Curated by ChEMBL


Assay Description
Activity at human mGluR5 assessed as effect on glutamate-induced calcium ion mobilization by FLIPR


Bioorg Med Chem Lett 16: 4792-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.079
BindingDB Entry DOI: 10.7270/Q2M32WKC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50191113
PNG
(2-(2-(benzo[b]thiophen-2-yl)ethynyl)-6-methylpyrid...)
Show SMILES Cc1cccc(n1)C#Cc1cc2ccccc2s1
Show InChI InChI=1S/C16H11NS/c1-12-5-4-7-14(17-12)9-10-15-11-13-6-2-3-8-16(13)18-15/h2-8,11H,1H3
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n/an/a 306n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Activity at human mGluR5d assessed as inhibition of glutamate-induced calcium influx by FLIPR assay


Bioorg Med Chem Lett 16: 4788-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.078
BindingDB Entry DOI: 10.7270/Q2VX0G48
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50191142
PNG
(2-(3-(3-methoxyphenoxy)prop-1-ynyl)-6-methylpyridi...)
Show SMILES COc1cccc(OCC#Cc2cccc(C)n2)c1
Show InChI InChI=1S/C16H15NO2/c1-13-6-3-7-14(17-13)8-5-11-19-16-10-4-9-15(12-16)18-2/h3-4,6-7,9-10,12H,11H2,1-2H3
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n/an/a 397n/an/an/an/an/an/a



AstraZeneca R&D M£lndal

Curated by ChEMBL


Assay Description
Activity at human mGluR5 assessed as effect on glutamate-induced calcium ion mobilization by FLIPR


Bioorg Med Chem Lett 16: 4792-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.079
BindingDB Entry DOI: 10.7270/Q2M32WKC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50191161
PNG
(2-methyl-6-(3-(3-nitrophenoxy)prop-1-ynyl)pyridine...)
Show SMILES Cc1cccc(n1)C#CCOc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C15H12N2O3/c1-12-5-2-6-13(16-12)7-4-10-20-15-9-3-8-14(11-15)17(18)19/h2-3,5-6,8-9,11H,10H2,1H3
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n/an/a 416n/an/an/an/an/an/a



AstraZeneca R&D M£lndal

Curated by ChEMBL


Assay Description
Activity at human mGluR5 assessed as effect on glutamate-induced calcium ion mobilization by FLIPR


Bioorg Med Chem Lett 16: 4792-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.079
BindingDB Entry DOI: 10.7270/Q2M32WKC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50191145
PNG
(2-(3-(4-methoxyphenoxy)prop-1-ynyl)-6-methylpyridi...)
Show SMILES COc1ccc(OCC#Cc2cccc(C)n2)cc1
Show InChI InChI=1S/C16H15NO2/c1-13-5-3-6-14(17-13)7-4-12-19-16-10-8-15(18-2)9-11-16/h3,5-6,8-11H,12H2,1-2H3
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n/an/a 455n/an/an/an/an/an/a



AstraZeneca R&D M£lndal

Curated by ChEMBL


Assay Description
Activity at human mGluR5 assessed as effect on glutamate-induced calcium ion mobilization by FLIPR


Bioorg Med Chem Lett 16: 4792-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.079
BindingDB Entry DOI: 10.7270/Q2M32WKC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50191119
PNG
(2-(3-(3-chlorophenylthio)-4-methylpent-1-ynyl)-6-m...)
Show SMILES CC(C)C(Sc1cccc(Cl)c1)C#Cc1cccc(C)n1
Show InChI InChI=1S/C18H18ClNS/c1-13(2)18(21-17-9-5-7-15(19)12-17)11-10-16-8-4-6-14(3)20-16/h4-9,12-13,18H,1-3H3
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n/an/a 461n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Activity at human mGluR5d assessed as inhibition of glutamate-induced calcium influx by FLIPR assay


Bioorg Med Chem Lett 16: 4788-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.078
BindingDB Entry DOI: 10.7270/Q2VX0G48
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50191120
PNG
(2-methyl-6-(3-(phenylthio)prop-1-ynyl)pyridine | C...)
Show SMILES Cc1cccc(n1)C#CCSc1ccccc1
Show InChI InChI=1S/C15H13NS/c1-13-7-5-8-14(16-13)9-6-12-17-15-10-3-2-4-11-15/h2-5,7-8,10-11H,12H2,1H3
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n/an/a 589n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Activity at human mGluR5d assessed as inhibition of glutamate-induced calcium influx by FLIPR assay


Bioorg Med Chem Lett 16: 4788-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.078
BindingDB Entry DOI: 10.7270/Q2VX0G48
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50191114
PNG
(3-chloro-N-(4-(6-methylpyridin-2-yl)but-3-yn-2-yl)...)
Show SMILES CC(Nc1cccc(Cl)c1)C#Cc1cccc(C)n1
Show InChI InChI=1S/C16H15ClN2/c1-12-5-3-7-15(18-12)10-9-13(2)19-16-8-4-6-14(17)11-16/h3-8,11,13,19H,1-2H3
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n/an/a 709n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Activity at human mGluR5d assessed as inhibition of glutamate-induced calcium influx by FLIPR assay


Bioorg Med Chem Lett 16: 4788-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.078
BindingDB Entry DOI: 10.7270/Q2VX0G48
More data for this
Ligand-Target Pair
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