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Compile Data Set for Download or QSAR

Found 955 hits with Last Name = 'pirona' and Initial = 'l'   
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 5


(Rattus norvegicus (Rat))
BDBM50105834
PNG
(CHEMBL3597594)
Show SMILES [#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ncccc1-[#7+](-[#8-])=O
Show InChI InChI=1S/C19H18N4O2/c1-15-5-2-7-17(21-15)8-3-6-16-10-13-22(14-11-16)19-18(23(24)25)9-4-12-20-19/h2,4-7,9,12H,10-11,13-14H2,1H3
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0.0300n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 receptor in Sprague-Dawley rat forebrain membrane after 60 mins by liquid scintillation spectrometry


Bioorg Med Chem 23: 3040-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.008
BindingDB Entry DOI: 10.7270/Q2PK0HX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50105833
PNG
(CHEMBL3597593)
Show SMILES [#8-]-[#7+](=O)-c1cccnc1-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1ccccn1
Show InChI InChI=1S/C18H16N4O2/c23-22(24)17-8-4-12-20-18(17)21-13-9-15(10-14-21)5-3-7-16-6-1-2-11-19-16/h1-2,4-6,8,11-12H,9-10,13-14H2
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0.100n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 receptor in Sprague-Dawley rat forebrain membrane after 60 mins by liquid scintillation spectrometry


Bioorg Med Chem 23: 3040-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.008
BindingDB Entry DOI: 10.7270/Q2PK0HX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50105801
PNG
(CHEMBL3597596)
Show SMILES [#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccccc1-[#7+](-[#8-])=O
Show InChI InChI=1S/C20H19N3O2/c1-16-6-4-8-18(21-16)9-5-7-17-12-14-22(15-13-17)19-10-2-3-11-20(19)23(24)25/h2-4,6-8,10-11H,12-15H2,1H3
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0.200n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 receptor in Sprague-Dawley rat forebrain membrane after 60 mins by liquid scintillation spectrometry


Bioorg Med Chem 23: 3040-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.008
BindingDB Entry DOI: 10.7270/Q2PK0HX0
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50416773
PNG
(CHEMBL1242352)
Show SMILES COc1ccccc1N1CCN(CC2OCC(O2)(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C27H30N2O3/c1-30-25-15-9-8-14-24(25)29-18-16-28(17-19-29)20-26-31-21-27(32-26,22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-15,26H,16-21H2,1H3
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0.263n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement [3H]prazosin of human recombinant alpha1A adrenergic receptor expressed in CHO cells by rapid filtration technique


Eur J Med Chem 45: 3740-51 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.023
BindingDB Entry DOI: 10.7270/Q2ZS2XR1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50419716
PNG
(CHEMBL1946777)
Show SMILES COc1ccccc1N1CCN(CC2COC(O2)(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C27H30N2O3/c1-30-26-15-9-8-14-25(26)29-18-16-28(17-19-29)20-24-21-31-27(32-24,22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-15,24H,16-21H2,1H3
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0.263n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant alpha1A adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting


J Med Chem 55: 23-36 (2012)


Article DOI: 10.1021/jm200421e
BindingDB Entry DOI: 10.7270/Q2G44RKK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50105802
PNG
(CHEMBL3597597)
Show SMILES [#6]-c1cccc(c1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ncccc1-[#7+](-[#8-])=O
Show InChI InChI=1S/C20H19N3O2/c1-16-5-2-7-18(15-16)8-3-6-17-10-13-22(14-11-17)20-19(23(24)25)9-4-12-21-20/h2,4-7,9,12,15H,10-11,13-14H2,1H3
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0.300n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from human cloned mGluR5 receptor expressed in CHO-T-Rex cells after 60 mins by liquid scintillation spectrometry


Bioorg Med Chem 23: 3040-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.008
BindingDB Entry DOI: 10.7270/Q2PK0HX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50105805
PNG
(CHEMBL3597600)
Show SMILES [#6]-c1ccc(c(n1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1ccc(cn1)C#N)-[#7+](-[#8-])=O
Show InChI InChI=1S/C20H17N5O2/c1-15-5-8-19(25(26)27)20(23-15)24-11-9-16(10-12-24)3-2-4-18-7-6-17(13-21)14-22-18/h3,5-8,14H,9-12H2,1H3
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0.300n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from human cloned mGluR5 receptor expressed in CHO-T-Rex cells after 60 mins by liquid scintillation spectrometry


Bioorg Med Chem 23: 3040-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.008
BindingDB Entry DOI: 10.7270/Q2PK0HX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50105833
PNG
(CHEMBL3597593)
Show SMILES [#8-]-[#7+](=O)-c1cccnc1-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1ccccn1
Show InChI InChI=1S/C18H16N4O2/c23-22(24)17-8-4-12-20-18(17)21-13-9-15(10-14-21)5-3-7-16-6-1-2-11-19-16/h1-2,4-6,8,11-12H,9-10,13-14H2
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0.300n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from human cloned mGluR5 receptor expressed in CHO-T-Rex cells after 60 mins by liquid scintillation spectrometry


Bioorg Med Chem 23: 3040-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.008
BindingDB Entry DOI: 10.7270/Q2PK0HX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50105801
PNG
(CHEMBL3597596)
Show SMILES [#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccccc1-[#7+](-[#8-])=O
Show InChI InChI=1S/C20H19N3O2/c1-16-6-4-8-18(21-16)9-5-7-17-12-14-22(15-13-17)19-10-2-3-11-20(19)23(24)25/h2-4,6-8,10-11H,12-15H2,1H3
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0.300n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from human cloned mGluR5 receptor expressed in CHO-T-Rex cells after 60 mins by liquid scintillation spectrometry


Bioorg Med Chem 23: 3040-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.008
BindingDB Entry DOI: 10.7270/Q2PK0HX0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50419713
PNG
(CHEMBL1946786)
Show SMILES COc1ccccc1OCCNC[C@H]1CCC([C@@H]1O)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C27H31NO3/c1-30-24-14-8-9-15-25(24)31-19-18-28-20-21-16-17-27(26(21)29,22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-15,21,26,28-29H,16-20H2,1H3/t21-,26-/m1/s1
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0.324n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-OH-DPAT from human recombinant 5HT1A receptor expressed in HeLa cells after 30 mins by liquid scintillation counting


J Med Chem 55: 23-36 (2012)


Article DOI: 10.1021/jm200421e
BindingDB Entry DOI: 10.7270/Q2G44RKK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM86708
PNG
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
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0.331n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-OH-DPAT from human recombinant 5HT1A receptor expressed in HeLa cells after 30 mins by liquid scintillation counting


J Med Chem 55: 23-36 (2012)


Article DOI: 10.1021/jm200421e
BindingDB Entry DOI: 10.7270/Q2G44RKK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM86708
PNG
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
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0.331n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement [3H]8-OH-DPAT of human cloned 5HT1A receptor expressed in human HeLa cells by rapid filtration technique


Eur J Med Chem 45: 3740-51 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.023
BindingDB Entry DOI: 10.7270/Q2ZS2XR1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM86708
PNG
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
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0.331n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT-1AR transfected in HeLa cells incubated for 30 mins by liquid scintillation counter


Eur J Med Chem 176: 310-325 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.024
BindingDB Entry DOI: 10.7270/Q26976XT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50105803
PNG
(CHEMBL3597598)
Show SMILES [#8-]-[#7+](=O)-c1cccnc1-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(Cl)c1
Show InChI InChI=1S/C19H16ClN3O2/c20-17-7-2-6-16(14-17)5-1-4-15-9-12-22(13-10-15)19-18(23(24)25)8-3-11-21-19/h2-4,6-8,11,14H,9-10,12-13H2
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0.400n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 receptor in Sprague-Dawley rat forebrain membrane after 60 mins by liquid scintillation spectrometry


Bioorg Med Chem 23: 3040-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.008
BindingDB Entry DOI: 10.7270/Q2PK0HX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50105802
PNG
(CHEMBL3597597)
Show SMILES [#6]-c1cccc(c1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ncccc1-[#7+](-[#8-])=O
Show InChI InChI=1S/C20H19N3O2/c1-16-5-2-7-18(15-16)8-3-6-17-10-13-22(14-11-17)20-19(23(24)25)9-4-12-21-20/h2,4-7,9,12,15H,10-11,13-14H2,1H3
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0.400n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 receptor in Sprague-Dawley rat forebrain membrane after 60 mins by liquid scintillation spectrometry


Bioorg Med Chem 23: 3040-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.008
BindingDB Entry DOI: 10.7270/Q2PK0HX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50105832
PNG
(CHEMBL3597592)
Show SMILES [#8-]-[#7+](=O)-c1cccnc1-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1ccccc1
Show InChI InChI=1S/C19H17N3O2/c23-22(24)18-10-5-13-20-19(18)21-14-11-17(12-15-21)9-4-8-16-6-2-1-3-7-16/h1-3,5-7,9-10,13H,11-12,14-15H2
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0.400n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from human cloned mGluR5 receptor expressed in CHO-T-Rex cells after 60 mins by liquid scintillation spectrometry


Bioorg Med Chem 23: 3040-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.008
BindingDB Entry DOI: 10.7270/Q2PK0HX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50105837
PNG
(CHEMBL3597585)
Show SMILES [O-][N+](=O)c1ccccc1N1CCN(CC1)C(=O)C#Cc1ccccc1
Show InChI InChI=1S/C19H17N3O3/c23-19(11-10-16-6-2-1-3-7-16)21-14-12-20(13-15-21)17-8-4-5-9-18(17)22(24)25/h1-9H,12-15H2
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0.400n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from human cloned mGluR5 receptor expressed in CHO-T-Rex cells after 60 mins by liquid scintillation spectrometry


Bioorg Med Chem 23: 3040-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.008
BindingDB Entry DOI: 10.7270/Q2PK0HX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50105805
PNG
(CHEMBL3597600)
Show SMILES [#6]-c1ccc(c(n1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1ccc(cn1)C#N)-[#7+](-[#8-])=O
Show InChI InChI=1S/C20H17N5O2/c1-15-5-8-19(25(26)27)20(23-15)24-11-9-16(10-12-24)3-2-4-18-7-6-17(13-21)14-22-18/h3,5-8,14H,9-12H2,1H3
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0.400n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 receptor in Sprague-Dawley rat forebrain membrane after 60 mins by liquid scintillation spectrometry


Bioorg Med Chem 23: 3040-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.008
BindingDB Entry DOI: 10.7270/Q2PK0HX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50105831
PNG
(CHEMBL3597584)
Show SMILES [O-][N+](=O)c1cccnc1N1CCN(CC1)C(=O)C#Cc1ccccc1
Show InChI InChI=1S/C18H16N4O3/c23-17(9-8-15-5-2-1-3-6-15)20-11-13-21(14-12-20)18-16(22(24)25)7-4-10-19-18/h1-7,10H,11-14H2
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0.5n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from human cloned mGluR5 receptor expressed in CHO-T-Rex cells after 60 mins by liquid scintillation spectrometry


Bioorg Med Chem 23: 3040-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.008
BindingDB Entry DOI: 10.7270/Q2PK0HX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50105834
PNG
(CHEMBL3597594)
Show SMILES [#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ncccc1-[#7+](-[#8-])=O
Show InChI InChI=1S/C19H18N4O2/c1-15-5-2-7-17(21-15)8-3-6-16-10-13-22(14-11-16)19-18(23(24)25)9-4-12-20-19/h2,4-7,9,12H,10-11,13-14H2,1H3
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0.5n/an/an/an/an/an/an/an/a



Recordati S.p.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from human mGlu5 receptor expressed in CHO-TREx cell membranes after 60 mins by liquid scintillation spectrometric analysis


J Med Chem 62: 1246-1273 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01226
BindingDB Entry DOI: 10.7270/Q24171JF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50105834
PNG
(CHEMBL3597594)
Show SMILES [#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ncccc1-[#7+](-[#8-])=O
Show InChI InChI=1S/C19H18N4O2/c1-15-5-2-7-17(21-15)8-3-6-16-10-13-22(14-11-16)19-18(23(24)25)9-4-12-20-19/h2,4-7,9,12H,10-11,13-14H2,1H3
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0.5n/an/an/an/an/an/an/an/a



Recordati S.p.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from human mGlu5 receptor expressed in CHO-TREx cell membranes after 60 mins by liquid scintillation spectrometric analysis


J Med Chem 62: 1246-1273 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01226
BindingDB Entry DOI: 10.7270/Q24171JF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50105834
PNG
(CHEMBL3597594)
Show SMILES [#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ncccc1-[#7+](-[#8-])=O
Show InChI InChI=1S/C19H18N4O2/c1-15-5-2-7-17(21-15)8-3-6-16-10-13-22(14-11-16)19-18(23(24)25)9-4-12-20-19/h2,4-7,9,12H,10-11,13-14H2,1H3
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0.5n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from human cloned mGluR5 receptor expressed in CHO-T-Rex cells after 60 mins by liquid scintillation spectrometry


Bioorg Med Chem 23: 3040-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.008
BindingDB Entry DOI: 10.7270/Q2PK0HX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50105803
PNG
(CHEMBL3597598)
Show SMILES [#8-]-[#7+](=O)-c1cccnc1-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(Cl)c1
Show InChI InChI=1S/C19H16ClN3O2/c20-17-7-2-6-16(14-17)5-1-4-15-9-12-22(13-10-15)19-18(23(24)25)8-3-11-21-19/h2-4,6-8,11,14H,9-10,12-13H2
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0.5n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from human cloned mGluR5 receptor expressed in CHO-T-Rex cells after 60 mins by liquid scintillation spectrometry


Bioorg Med Chem 23: 3040-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.008
BindingDB Entry DOI: 10.7270/Q2PK0HX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50105806
PNG
(CHEMBL3597602)
Show SMILES [#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ncc(cc1C#N)-c1ccccc1
Show InChI InChI=1S/C26H22N4/c1-20-7-5-11-25(29-20)12-6-8-21-13-15-30(16-14-21)26-23(18-27)17-24(19-28-26)22-9-3-2-4-10-22/h2-5,7-11,17,19H,13-16H2,1H3
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0.5n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from human cloned mGluR5 receptor expressed in CHO-T-Rex cells after 60 mins by liquid scintillation spectrometry


Bioorg Med Chem 23: 3040-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.008
BindingDB Entry DOI: 10.7270/Q2PK0HX0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50513275
PNG
(CHEMBL4458714)
Show SMILES OC(=O)C(O)=O.COc1ccccc1OCCNCCC1COC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H29NO4.C2H2O4/c1-28-24-14-8-9-15-25(24)29-19-18-27-17-16-23-20-30-26(31-23,21-10-4-2-5-11-21)22-12-6-3-7-13-22;3-1(4)2(5)6/h2-15,23,27H,16-20H2,1H3;(H,3,4)(H,5,6)
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0.501n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT-1AR transfected in HeLa cells incubated for 30 mins by liquid scintillation counter


Eur J Med Chem 176: 310-325 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.024
BindingDB Entry DOI: 10.7270/Q26976XT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50419714
PNG
(CHEMBL1946787)
Show SMILES COc1ccccc1N1CCN(C[C@H]2CCC([C@H]2O)(c2ccccc2)c2ccccc2)CC1 |r|
Show InChI InChI=1S/C29H34N2O2/c1-33-27-15-9-8-14-26(27)31-20-18-30(19-21-31)22-23-16-17-29(28(23)32,24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2-15,23,28,32H,16-22H2,1H3/t23-,28+/m1/s1
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0.562n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-OH-DPAT from human recombinant 5HT1A receptor expressed in HeLa cells after 30 mins by liquid scintillation counting


J Med Chem 55: 23-36 (2012)


Article DOI: 10.1021/jm200421e
BindingDB Entry DOI: 10.7270/Q2G44RKK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50105832
PNG
(CHEMBL3597592)
Show SMILES [#8-]-[#7+](=O)-c1cccnc1-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1ccccc1
Show InChI InChI=1S/C19H17N3O2/c23-22(24)18-10-5-13-20-19(18)21-14-11-17(12-15-21)9-4-8-16-6-2-1-3-7-16/h1-3,5-7,9-10,13H,11-12,14-15H2
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0.600n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 receptor in Sprague-Dawley rat forebrain membrane after 60 mins by liquid scintillation spectrometry


Bioorg Med Chem 23: 3040-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.008
BindingDB Entry DOI: 10.7270/Q2PK0HX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50105831
PNG
(CHEMBL3597584)
Show SMILES [O-][N+](=O)c1cccnc1N1CCN(CC1)C(=O)C#Cc1ccccc1
Show InChI InChI=1S/C18H16N4O3/c23-17(9-8-15-5-2-1-3-6-15)20-11-13-21(14-12-20)18-16(22(24)25)7-4-10-19-18/h1-7,10H,11-14H2
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0.600n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 receptor in Sprague-Dawley rat forebrain membrane after 60 mins by liquid scintillation spectrometry


Bioorg Med Chem 23: 3040-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.008
BindingDB Entry DOI: 10.7270/Q2PK0HX0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50409811
PNG
(CHEMBL1082862 | CHEMBL286003)
Show SMILES COc1ccccc1OCCNCC1COC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H27NO4/c1-27-23-14-8-9-15-24(23)28-17-16-26-18-22-19-29-25(30-22,20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-15,22,26H,16-19H2,1H3
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0.603n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT-1AR transfected in HeLa cells incubated for 30 mins by liquid scintillation counter


Eur J Med Chem 176: 310-325 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.024
BindingDB Entry DOI: 10.7270/Q26976XT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50409811
PNG
(CHEMBL1082862 | CHEMBL286003)
Show SMILES COc1ccccc1OCCNCC1COC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H27NO4/c1-27-23-14-8-9-15-24(23)28-17-16-26-18-22-19-29-25(30-22,20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-15,22,26H,16-19H2,1H3
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0.603n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-OH-DPAT from human recombinant 5HT1A receptor expressed in HeLa cells after 30 mins by liquid scintillation counting


J Med Chem 55: 23-36 (2012)


Article DOI: 10.1021/jm200421e
BindingDB Entry DOI: 10.7270/Q2G44RKK
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50416781
PNG
(CHEMBL1242632)
Show SMILES COc1ccccc1N1CCN(C[C@H]2CO[C@](CN3CCCCCC3=O)(O2)c2ccccc2)CC1 |r|
Show InChI InChI=1S/C28H37N3O4/c1-33-26-13-8-7-12-25(26)30-18-16-29(17-19-30)20-24-21-34-28(35-24,23-10-4-2-5-11-23)22-31-15-9-3-6-14-27(31)32/h2,4-5,7-8,10-13,24H,3,6,9,14-22H2,1H3/t24-,28+/m0/s1
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0.631n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement [3H]prazosin of human recombinant alpha1A adrenergic receptor expressed in CHO cells by rapid filtration technique


Eur J Med Chem 45: 3740-51 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.023
BindingDB Entry DOI: 10.7270/Q2ZS2XR1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50419718
PNG
(CHEMBL1946780)
Show SMILES COc1ccccc1N1CCN(CC2CCC(O2)(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C28H32N2O2/c1-31-27-15-9-8-14-26(27)30-20-18-29(19-21-30)22-25-16-17-28(32-25,23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-15,25H,16-22H2,1H3
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0.646n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant alpha1A adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting


J Med Chem 55: 23-36 (2012)


Article DOI: 10.1021/jm200421e
BindingDB Entry DOI: 10.7270/Q2G44RKK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50529980
PNG
(CHEMBL4535926)
Show SMILES [#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C21H19ClN2O/c1-16-5-2-9-20(23-16)10-3-6-17-11-13-24(14-12-17)21(25)18-7-4-8-19(22)15-18/h2,4-9,15H,11-14H2,1H3
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0.700n/an/an/an/an/an/an/an/a



Recordati S.p.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from human mGlu5 receptor expressed in CHO-TREx cell membranes after 60 mins by liquid scintillation spectrometric analysis


J Med Chem 62: 1246-1273 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01226
BindingDB Entry DOI: 10.7270/Q24171JF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50529958
PNG
(CHEMBL4472693)
Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(Cl)c1
Show InChI InChI=1S/C17H18ClNO2/c1-2-21-17(20)19-11-9-14(10-12-19)5-3-6-15-7-4-8-16(18)13-15/h4-5,7-8,13H,2,9-12H2,1H3
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0.700n/an/an/an/an/an/an/an/a



Recordati S.p.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from human mGlu5 receptor expressed in CHO-TREx cell membranes after 60 mins by liquid scintillation spectrometric analysis


J Med Chem 62: 1246-1273 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01226
BindingDB Entry DOI: 10.7270/Q24171JF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50529980
PNG
(CHEMBL4535926)
Show SMILES [#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C21H19ClN2O/c1-16-5-2-9-20(23-16)10-3-6-17-11-13-24(14-12-17)21(25)18-7-4-8-19(22)15-18/h2,4-9,15H,11-14H2,1H3
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0.700n/an/an/an/an/an/an/an/a



Recordati S.p.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from human mGlu5 receptor expressed in CHO-TREx cell membranes after 60 mins by liquid scintillation spectrometric analysis


J Med Chem 62: 1246-1273 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01226
BindingDB Entry DOI: 10.7270/Q24171JF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50529958
PNG
(CHEMBL4472693)
Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(Cl)c1
Show InChI InChI=1S/C17H18ClNO2/c1-2-21-17(20)19-11-9-14(10-12-19)5-3-6-15-7-4-8-16(18)13-15/h4-5,7-8,13H,2,9-12H2,1H3
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0.700n/an/an/an/an/an/an/an/a



Recordati S.p.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from human mGlu5 receptor expressed in CHO-TREx cell membranes after 60 mins by liquid scintillation spectrometric analysis


J Med Chem 62: 1246-1273 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01226
BindingDB Entry DOI: 10.7270/Q24171JF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50513270
PNG
(CHEMBL4467585)
Show SMILES OC(=O)C(O)=O.COc1ccccc1OCCNCC1CCOC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H29NO4.C2H2O4/c1-28-24-14-8-9-15-25(24)29-19-17-27-20-23-16-18-30-26(31-23,21-10-4-2-5-11-21)22-12-6-3-7-13-22;3-1(4)2(5)6/h2-15,23,27H,16-20H2,1H3;(H,3,4)(H,5,6)
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0.776n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT-1AR transfected in HeLa cells incubated for 30 mins by liquid scintillation counter


Eur J Med Chem 176: 310-325 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.024
BindingDB Entry DOI: 10.7270/Q26976XT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50419715
PNG
(CHEMBL1946788)
Show SMILES COc1ccccc1N1CCN(C[C@H]2CCC([C@@H]2O)(c2ccccc2)c2ccccc2)CC1 |r|
Show InChI InChI=1S/C29H34N2O2/c1-33-27-15-9-8-14-26(27)31-20-18-30(19-21-31)22-23-16-17-29(28(23)32,24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2-15,23,28,32H,16-22H2,1H3/t23-,28-/m1/s1
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0.794n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-OH-DPAT from human recombinant 5HT1A receptor expressed in HeLa cells after 30 mins by liquid scintillation counting


J Med Chem 55: 23-36 (2012)


Article DOI: 10.1021/jm200421e
BindingDB Entry DOI: 10.7270/Q2G44RKK
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50419716
PNG
(CHEMBL1946777)
Show SMILES COc1ccccc1N1CCN(CC2COC(O2)(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C27H30N2O3/c1-30-26-15-9-8-14-25(26)29-18-16-28(17-19-29)20-24-21-31-27(32-24,22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-15,24H,16-21H2,1H3
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0.813n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from recombinant human alpha1d adrenergic receptor expressed in CHO cell membranes after 30 mins by TopCount liquid scin...


Eur J Med Chem 125: 435-452 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.050
BindingDB Entry DOI: 10.7270/Q2BG2R46
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50419716
PNG
(CHEMBL1946777)
Show SMILES COc1ccccc1N1CCN(CC2COC(O2)(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C27H30N2O3/c1-30-26-15-9-8-14-25(26)29-18-16-28(17-19-29)20-24-21-31-27(32-24,22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-15,24H,16-21H2,1H3
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0.813n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant Alpha-1D adrenoreceptor expressed in CHO cells after 30 mins by liquid scintillation counting


J Med Chem 55: 23-36 (2012)


Article DOI: 10.1021/jm200421e
BindingDB Entry DOI: 10.7270/Q2G44RKK
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50416773
PNG
(CHEMBL1242352)
Show SMILES COc1ccccc1N1CCN(CC2OCC(O2)(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C27H30N2O3/c1-30-25-15-9-8-14-24(25)29-18-16-28(17-19-29)20-26-31-21-27(32-26,22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-15,26H,16-21H2,1H3
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0.813n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement [3H]prazosin of human recombinant Alpha-1D adrenergic receptor expressed in CHO cells by rapid filtration technique


Eur J Med Chem 45: 3740-51 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.023
BindingDB Entry DOI: 10.7270/Q2ZS2XR1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50419722
PNG
(CHEMBL1946779)
Show SMILES COc1ccccc1OCCNCC1CCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H29NO3/c1-28-24-14-8-9-15-25(24)29-19-18-27-20-23-16-17-26(30-23,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,27H,16-20H2,1H3
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0.832n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-OH-DPAT from human recombinant 5HT1A receptor expressed in HeLa cells after 30 mins by liquid scintillation counting


J Med Chem 55: 23-36 (2012)


Article DOI: 10.1021/jm200421e
BindingDB Entry DOI: 10.7270/Q2G44RKK
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50416779
PNG
(CHEMBL1242541)
Show SMILES COc1ccccc1N1CCN(C[C@H]2CO[C@](CN3CCCCC3=O)(O2)c2ccccc2)CC1 |r|
Show InChI InChI=1S/C27H35N3O4/c1-32-25-12-6-5-11-24(25)29-17-15-28(16-18-29)19-23-20-33-27(34-23,22-9-3-2-4-10-22)21-30-14-8-7-13-26(30)31/h2-6,9-12,23H,7-8,13-21H2,1H3/t23-,27+/m0/s1
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0.871n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement [3H]prazosin of human recombinant alpha1A adrenergic receptor expressed in CHO cells by rapid filtration technique


Eur J Med Chem 45: 3740-51 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.023
BindingDB Entry DOI: 10.7270/Q2ZS2XR1
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50099461
PNG
(CHEMBL3342871)
Show SMILES COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(=O)(=O)c3cccc(c3)[N+]([O-])=O)O2)CC1
Show InChI InChI=1S/C25H32N4O7S/c1-34-24-8-3-2-7-23(24)27-15-13-26(14-16-27)18-21-19-35-25(36-21)9-11-28(12-10-25)37(32,33)22-6-4-5-20(17-22)29(30)31/h2-8,17,21H,9-16,18-19H2,1H3
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0.912n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant alpha1D adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting


Eur J Med Chem 87: 248-66 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.070
BindingDB Entry DOI: 10.7270/Q20G3MX4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50210789
PNG
(CHEMBL3938383)
Show SMILES COc1ccccc1OCCNCC1CSC2(CCCCC2)S1
Show InChI InChI=1S/C18H27NO2S2/c1-20-16-7-3-4-8-17(16)21-12-11-19-13-15-14-22-18(23-15)9-5-2-6-10-18/h3-4,7-8,15,19H,2,5-6,9-14H2,1H3
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0.933n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor expressed in HeLa cell membranes after 30 mins by TopCount liquid scintillation ...


Eur J Med Chem 125: 435-452 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.050
BindingDB Entry DOI: 10.7270/Q2BG2R46
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50529979
PNG
(CHEMBL4439229)
Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(c1)C#N
Show InChI InChI=1S/C18H18N2O2/c1-2-22-18(21)20-11-9-15(10-12-20)5-3-6-16-7-4-8-17(13-16)14-19/h4-5,7-8,13H,2,9-12H2,1H3
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0.980n/an/an/an/an/an/an/an/a



Recordati S.p.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from human mGlu5 receptor expressed in CHO-TREx cell membranes after 60 mins by liquid scintillation spectrometric analysis


J Med Chem 62: 1246-1273 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01226
BindingDB Entry DOI: 10.7270/Q24171JF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50529979
PNG
(CHEMBL4439229)
Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(c1)C#N
Show InChI InChI=1S/C18H18N2O2/c1-2-22-18(21)20-11-9-15(10-12-20)5-3-6-16-7-4-8-17(13-16)14-19/h4-5,7-8,13H,2,9-12H2,1H3
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0.980n/an/an/an/an/an/an/an/a



Recordati S.p.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from human mGlu5 receptor expressed in CHO-TREx cell membranes after 60 mins by liquid scintillation spectrometric analysis


J Med Chem 62: 1246-1273 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01226
BindingDB Entry DOI: 10.7270/Q24171JF
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50513270
PNG
(CHEMBL4467585)
Show SMILES OC(=O)C(O)=O.COc1ccccc1OCCNCC1CCOC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H29NO4.C2H2O4/c1-28-24-14-8-9-15-25(24)29-19-17-27-20-23-16-18-30-26(31-23,21-10-4-2-5-11-21)22-12-6-3-7-13-22;3-1(4)2(5)6/h2-15,23,27H,16-20H2,1H3;(H,3,4)(H,5,6)
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1n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H] prazosin from human cloned adrenoceptor alpha 1D expressed in CHO cell membrane incubated for 30 mins by liquid scintillation co...


Eur J Med Chem 176: 310-325 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.024
BindingDB Entry DOI: 10.7270/Q26976XT
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50513258
PNG
(CHEMBL4462600)
Show SMILES OC(=O)C(O)=O.C(COC(c1ccccc1)c1ccccc1)NCCOc1ccccc1
Show InChI InChI=1S/C23H25NO2/c1-4-10-20(11-5-1)23(21-12-6-2-7-13-21)26-19-17-24-16-18-25-22-14-8-3-9-15-22/h1-15,23-24H,16-19H2
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1.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H] prazosin from human cloned adrenoceptor alpha 1D expressed in CHO cell membrane incubated for 30 mins by liquid scintillation co...


Eur J Med Chem 176: 310-325 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.024
BindingDB Entry DOI: 10.7270/Q26976XT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50026917
PNG
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
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1.26n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-OH-DPAT from human recombinant 5HT1A receptor expressed in HeLa cells after 30 mins by liquid scintillation counting


J Med Chem 55: 23-36 (2012)


Article DOI: 10.1021/jm200421e
BindingDB Entry DOI: 10.7270/Q2G44RKK
More data for this
Ligand-Target Pair
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