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Compile Data Set for Download or QSAR

Found 148 hits with Last Name = 'ganong' and Initial = 'ah'   
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 3A


(Homo sapiens (Human))
BDBM50014156
PNG
(4-(2-Methoxy-phenyl)-2-(5-methyl-1H-imidazol-4-ylm...)
Show SMILES COc1ccccc1-c1csc(Cc2[nH]cnc2C)n1
Show InChI InChI=1S/C15H15N3OS/c1-10-12(17-9-16-10)7-15-18-13(8-20-15)11-5-3-4-6-14(11)19-2/h3-6,8-9H,7H2,1-2H3,(H,16,17)
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0.420n/an/an/an/an/an/an/an/a



Pfizer central Research

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of [3H]2 in Neuroblastoma-Glioma NG-108-15 cells


J Med Chem 33: 2715-20 (1990)


BindingDB Entry DOI: 10.7270/Q2H995S5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50014164
PNG
(8-[2-(5-Methyl-1H-imidazol-4-ylmethyl)-thiazol-4-y...)
Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1cccc2cccnc12
Show InChI InChI=1S/C17H14N4S/c1-11-14(20-10-19-11)8-16-21-15(9-22-16)13-6-2-4-12-5-3-7-18-17(12)13/h2-7,9-10H,8H2,1H3,(H,19,20)
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1n/an/an/an/an/an/an/an/a



Pfizer central Research

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of [3H]2 in Neuroblastoma-Glioma NG-108-15 cells


J Med Chem 33: 2715-20 (1990)


BindingDB Entry DOI: 10.7270/Q2H995S5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50014154
PNG
(2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...)
Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)
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1.80n/an/an/an/an/an/an/an/a



Pfizer central Research

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of [3H]2 in Neuroblastoma-Glioma NG-108-15 cells


J Med Chem 33: 2715-20 (1990)


BindingDB Entry DOI: 10.7270/Q2H995S5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50014159
PNG
(4-(2-Fluoro-phenyl)-2-(5-methyl-1H-imidazol-4-ylme...)
Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1F
Show InChI InChI=1S/C14H12FN3S/c1-9-12(17-8-16-9)6-14-18-13(7-19-14)10-4-2-3-5-11(10)15/h2-5,7-8H,6H2,1H3,(H,16,17)
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1.90n/an/an/an/an/an/an/an/a



Pfizer central Research

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of [3H]2 in Neuroblastoma-Glioma NG-108-15 cells


J Med Chem 33: 2715-20 (1990)


BindingDB Entry DOI: 10.7270/Q2H995S5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50108392
PNG
((3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-I...)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12 |r,THB:9:7:4.3:1|
Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+
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PubMed
2.70n/an/an/an/an/an/an/an/a



Pfizer central Research

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of [3H]2 in Neuroblastoma-Glioma NG-108-15 cells


J Med Chem 33: 2715-20 (1990)


BindingDB Entry DOI: 10.7270/Q2H995S5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50013043
PNG
(3-[2-(5-Methyl-1H-imidazol-4-ylmethyl)-thiazol-4-y...)
Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C16H14N4S/c1-10-14(19-9-18-10)6-16-20-15(8-21-16)12-7-17-13-5-3-2-4-11(12)13/h2-5,7-9,17H,6H2,1H3,(H,18,19)
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12n/an/an/an/an/an/an/an/a



Pfizer central Research

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of [3H]2 in Neuroblastoma-Glioma NG-108-15 cells


J Med Chem 33: 2715-20 (1990)


BindingDB Entry DOI: 10.7270/Q2H995S5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM85330
PNG
(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)
Show SMILES Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C
Show InChI InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3
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16n/an/an/an/an/an/an/an/a



Pfizer central Research

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of [3H]2 in Neuroblastoma-Glioma NG-108-15 cells


J Med Chem 33: 2715-20 (1990)


BindingDB Entry DOI: 10.7270/Q2H995S5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50343301
PNG
(2-((4-(4-Fluorophenyl)piperidin-1-yl)methyl)-1-met...)
Show SMILES Cn1c(CN2CCC(CC2)c2ccc(F)cc2)nc2ccccc12
Show InChI InChI=1S/C20H22FN3/c1-23-19-5-3-2-4-18(19)22-20(23)14-24-12-10-16(11-13-24)15-6-8-17(21)9-7-15/h2-9,16H,10-14H2,1H3
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24n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat corpus striatum by beta plate scintillation counting


J Med Chem 54: 1724-39 (2011)


Article DOI: 10.1021/jm101414h
BindingDB Entry DOI: 10.7270/Q2222V3C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50343305
PNG
(2-((4-(4-Chloro-2-fluorophenyl)piperidin-1-yl)meth...)
Show SMILES Cn1c(CN2CCC(CC2)c2ccc(Cl)cc2F)nc2ccccc12
Show InChI InChI=1S/C20H21ClFN3/c1-24-19-5-3-2-4-18(19)23-20(24)13-25-10-8-14(9-11-25)16-7-6-15(21)12-17(16)22/h2-7,12,14H,8-11,13H2,1H3
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91n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat corpus striatum by beta plate scintillation counting


J Med Chem 54: 1724-39 (2011)


Article DOI: 10.1021/jm101414h
BindingDB Entry DOI: 10.7270/Q2222V3C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50343299
PNG
(2-((4-(2-Fluorophenyl)piperidin-1-yl)methyl)-1-met...)
Show SMILES Cn1c(CN2CCC(CC2)c2ccccc2F)nc2ccccc12
Show InChI InChI=1S/C20H22FN3/c1-23-19-9-5-4-8-18(19)22-20(23)14-24-12-10-15(11-13-24)16-6-2-3-7-17(16)21/h2-9,15H,10-14H2,1H3
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93n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat corpus striatum by beta plate scintillation counting


J Med Chem 54: 1724-39 (2011)


Article DOI: 10.1021/jm101414h
BindingDB Entry DOI: 10.7270/Q2222V3C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50277957
PNG
((R)-3-((2',4'-difluorobiphenyl-4-yl)methyl)-5-meth...)
Show SMILES C[C@@H]1CN(Cc2ccc(cc2)-c2ccc(F)cc2F)C(=O)O1 |r|
Show InChI InChI=1S/C17H15F2NO2/c1-11-9-20(17(21)22-11)10-12-2-4-13(5-3-12)15-7-6-14(18)8-16(15)19/h2-8,11H,9-10H2,1H3/t11-/m1/s1
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323n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2A receptor


Bioorg Med Chem Lett 19: 2524-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.032
BindingDB Entry DOI: 10.7270/Q2F18ZK7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50343317
PNG
(1-methyl-2-(((1R,5S)-3-(4-(trifluoromethyl)phenyl)...)
Show SMILES Cn1c(CN2[C@H]3CC[C@@H]2CC(C3)c2ccc(cc2)C(F)(F)F)nc2ncccc12 |r,THB:12:10:4:7.6|
Show InChI InChI=1S/C22H23F3N4/c1-28-19-3-2-10-26-21(19)27-20(28)13-29-17-8-9-18(29)12-15(11-17)14-4-6-16(7-5-14)22(23,24)25/h2-7,10,15,17-18H,8-9,11-13H2,1H3/t15?,17-,18+
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355n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat corpus striatum by beta plate scintillation counting


J Med Chem 54: 1724-39 (2011)


Article DOI: 10.1021/jm101414h
BindingDB Entry DOI: 10.7270/Q2222V3C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50343308
PNG
(1-Methyl-2-((4-(4-(trifluoromethyl)phenyl)piperidi...)
Show SMILES Cn1c(CN2CCC(CC2)c2ccc(cc2)C(F)(F)F)nc2ncccc12
Show InChI InChI=1S/C20H21F3N4/c1-26-17-3-2-10-24-19(17)25-18(26)13-27-11-8-15(9-12-27)14-4-6-16(7-5-14)20(21,22)23/h2-7,10,15H,8-9,11-13H2,1H3
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404n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat corpus striatum by beta plate scintillation counting


J Med Chem 54: 1724-39 (2011)


Article DOI: 10.1021/jm101414h
BindingDB Entry DOI: 10.7270/Q2222V3C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50343295
PNG
(2-((4-(2-Methoxy-phenyl)piperidin-1-yl)methyl)-1-m...)
Show SMILES COc1ccccc1C1CCN(Cc2nc3ccccc3n2C)CC1
Show InChI InChI=1S/C21H25N3O/c1-23-19-9-5-4-8-18(19)22-21(23)15-24-13-11-16(12-14-24)17-7-3-6-10-20(17)25-2/h3-10,16H,11-15H2,1-2H3
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426n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat corpus striatum by beta plate scintillation counting


J Med Chem 54: 1724-39 (2011)


Article DOI: 10.1021/jm101414h
BindingDB Entry DOI: 10.7270/Q2222V3C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50343306
PNG
(1-methyl-2-((4-(4-(trifluoromethyl)phenyl)piperidi...)
Show SMILES Cn1c(CN2CCC(CC2)c2ccc(cc2)C(F)(F)F)nc2ccccc12
Show InChI InChI=1S/C21H22F3N3/c1-26-19-5-3-2-4-18(19)25-20(26)14-27-12-10-16(11-13-27)15-6-8-17(9-7-15)21(22,23)24/h2-9,16H,10-14H2,1H3
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561n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat corpus striatum by beta plate scintillation counting


J Med Chem 54: 1724-39 (2011)


Article DOI: 10.1021/jm101414h
BindingDB Entry DOI: 10.7270/Q2222V3C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50343316
PNG
(CHEMBL1774224 | cis-1-methyl-2-(((2R,4R)-2-methyl-...)
Show SMILES C[C@@H]1C[C@@H](CCN1Cc1nc2ncccc2n1C)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H23F3N4/c1-14-12-16(15-5-7-17(8-6-15)21(22,23)24)9-11-28(14)13-19-26-20-18(27(19)2)4-3-10-25-20/h3-8,10,14,16H,9,11-13H2,1-2H3/t14-,16-/m1/s1
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589n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat corpus striatum by beta plate scintillation counting


J Med Chem 54: 1724-39 (2011)


Article DOI: 10.1021/jm101414h
BindingDB Entry DOI: 10.7270/Q2222V3C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50343309
PNG
(1-Methyl-2-((4-(4-(trifluoromethyl)phenyl)piperidi...)
Show SMILES Cn1c(CN2CCC(CC2)c2ccc(cc2)C(F)(F)F)nc2cnccc12
Show InChI InChI=1S/C20H21F3N4/c1-26-18-6-9-24-12-17(18)25-19(26)13-27-10-7-15(8-11-27)14-2-4-16(5-3-14)20(21,22)23/h2-6,9,12,15H,7-8,10-11,13H2,1H3
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671n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat corpus striatum by beta plate scintillation counting


J Med Chem 54: 1724-39 (2011)


Article DOI: 10.1021/jm101414h
BindingDB Entry DOI: 10.7270/Q2222V3C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Mus musculus (Mouse))
BDBM50014154
PNG
(2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...)
Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)
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>1.00E+3n/an/an/an/an/an/an/an/a



Pfizer central Research

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1A receptor was determined by using [3H]8-OH-DPAT as radioligand


J Med Chem 33: 2715-20 (1990)


BindingDB Entry DOI: 10.7270/Q2H995S5
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]


(Rattus norvegicus (rat))
BDBM50014154
PNG
(2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...)
Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)
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>1.00E+3n/an/an/an/an/an/an/an/a



Pfizer central Research

Curated by ChEMBL


Assay Description
Binding affinity for Alpha-1 adrenergic receptor was determined by using [3H]prazosin as radioligand


J Med Chem 33: 2715-20 (1990)


BindingDB Entry DOI: 10.7270/Q2H995S5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50014154
PNG
(2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...)
Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)
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>1.00E+3n/an/an/an/an/an/an/an/a



Pfizer central Research

Curated by ChEMBL


Assay Description
Binding affinity for Sigma opioid receptor was determined by using [3H](+)-3-(3-hydroxyphenyl)N-1-propyl-piperdine((+)-3-PPP) as radioligand


J Med Chem 33: 2715-20 (1990)


BindingDB Entry DOI: 10.7270/Q2H995S5
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)
BDBM50014154
PNG
(2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...)
Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)
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>1.00E+3n/an/an/an/an/an/an/an/a



Pfizer central Research

Curated by ChEMBL


Assay Description
Binding affinity for Beta adrenergic receptor was determined by using [3H]dihydroalprenolol as radioligand


J Med Chem 33: 2715-20 (1990)


BindingDB Entry DOI: 10.7270/Q2H995S5
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM50014154
PNG
(2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...)
Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)
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>1.00E+3n/an/an/an/an/an/an/an/a



Pfizer central Research

Curated by ChEMBL


Assay Description
Binding affinity for Alpha-2 adrenergic receptor was determined by using [3H]p-aminoclonidine as radioligand


J Med Chem 33: 2715-20 (1990)


BindingDB Entry DOI: 10.7270/Q2H995S5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50014154
PNG
(2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...)
Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)
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>1.00E+3n/an/an/an/an/an/an/an/a



Pfizer central Research

Curated by ChEMBL


Assay Description
Binding affinity for Muscarinic acetylcholine receptor was determined by using [3H]QNB as radioligand


J Med Chem 33: 2715-20 (1990)


BindingDB Entry DOI: 10.7270/Q2H995S5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50014154
PNG
(2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...)
Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)
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>1.00E+3n/an/an/an/an/an/an/an/a



Pfizer central Research

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1B receptor was determined by using [3H]5-HT as radioligand


J Med Chem 33: 2715-20 (1990)


BindingDB Entry DOI: 10.7270/Q2H995S5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50014154
PNG
(2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...)
Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)
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>1.00E+3n/an/an/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1C receptor was determined by using [3H]- mesulergine as radioligand


J Med Chem 33: 2715-20 (1990)


BindingDB Entry DOI: 10.7270/Q2H995S5
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Mus musculus (Mouse))
BDBM50014154
PNG
(2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...)
Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)
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>1.00E+3n/an/an/an/an/an/an/an/a



Pfizer central Research

Curated by ChEMBL


Assay Description
Binding affinity for Dopamine receptor D1 was determined by using [3H]SCH-23390 as radioligand


J Med Chem 33: 2715-20 (1990)


BindingDB Entry DOI: 10.7270/Q2H995S5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50014154
PNG
(2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...)
Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)
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>1.00E+3n/an/an/an/an/an/an/an/a



Pfizer central Research

Curated by ChEMBL


Assay Description
Binding affinity for Dopamine receptor D2 was determined by using [3H]spiperone as radioligand


J Med Chem 33: 2715-20 (1990)


BindingDB Entry DOI: 10.7270/Q2H995S5
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50014154
PNG
(2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...)
Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)
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>1.00E+3n/an/an/an/an/an/an/an/a



Pfizer central Research

Curated by ChEMBL


Assay Description
Binding affinity for Opioid receptor mu 1 was determined by using [3H]naloxone as radioligand


J Med Chem 33: 2715-20 (1990)


BindingDB Entry DOI: 10.7270/Q2H995S5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50014154
PNG
(2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...)
Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)
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>1.00E+3n/an/an/an/an/an/an/an/a



Pfizer central Research

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1D receptor was determined by using [3H]5-HT as radioligand


J Med Chem 33: 2715-20 (1990)


BindingDB Entry DOI: 10.7270/Q2H995S5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(BOVINE)
BDBM50014154
PNG
(2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...)
Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)
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>1.00E+3n/an/an/an/an/an/an/an/a



Pfizer central Research

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 2 receptor was determined by using [3H]ketanserin as radioligand


J Med Chem 33: 2715-20 (1990)


BindingDB Entry DOI: 10.7270/Q2H995S5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50343314
PNG
(2-((4-(2-Fluoro-4-(trifluoromethoxy)phenyl)piperid...)
Show SMILES Cn1c(CN2CCC(CC2)c2ccc(OC(F)(F)F)cc2F)nc2ncccc12
Show InChI InChI=1S/C20H20F4N4O/c1-27-17-3-2-8-25-19(17)26-18(27)12-28-9-6-13(7-10-28)15-5-4-14(11-16(15)21)29-20(22,23)24/h2-5,8,11,13H,6-7,9-10,12H2,1H3
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1.18E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat corpus striatum by beta plate scintillation counting


J Med Chem 54: 1724-39 (2011)


Article DOI: 10.1021/jm101414h
BindingDB Entry DOI: 10.7270/Q2222V3C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50343321
PNG
(CHEMBL1774229 | cis-2-(((3R,4R)-4-(4-chloro-2-fluo...)
Show SMILES C[C@H]1CN(Cc2nc3ncccc3n2C)CC[C@H]1c1ccc(Cl)cc1F |r|
Show InChI InChI=1S/C20H22ClFN4/c1-13-11-26(9-7-15(13)16-6-5-14(21)10-17(16)22)12-19-24-20-18(25(19)2)4-3-8-23-20/h3-6,8,10,13,15H,7,9,11-12H2,1-2H3/t13-,15+/m0/s1
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1.62E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat corpus striatum by beta plate scintillation counting


J Med Chem 54: 1724-39 (2011)


Article DOI: 10.1021/jm101414h
BindingDB Entry DOI: 10.7270/Q2222V3C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50343313
PNG
(2-((4-(2-Fluoro-4-(trifluoromethyl)phenyl)piperidi...)
Show SMILES Cn1c(CN2CCC(CC2)c2ccc(cc2F)C(F)(F)F)nc2ncccc12
Show InChI InChI=1S/C20H20F4N4/c1-27-17-3-2-8-25-19(17)26-18(27)12-28-9-6-13(7-10-28)15-5-4-14(11-16(15)21)20(22,23)24/h2-5,8,11,13H,6-7,9-10,12H2,1H3
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1.78E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat corpus striatum by beta plate scintillation counting


J Med Chem 54: 1724-39 (2011)


Article DOI: 10.1021/jm101414h
BindingDB Entry DOI: 10.7270/Q2222V3C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50277955
PNG
((R)-3-((3'-chloro-4'-fluorobiphenyl-4-yl)methyl)-5...)
Show SMILES C[C@@H]1CN(Cc2ccc(cc2)-c2ccc(F)c(Cl)c2)C(=O)O1 |r|
Show InChI InChI=1S/C17H15ClFNO2/c1-11-9-20(17(21)22-11)10-12-2-4-13(5-3-12)14-6-7-16(19)15(18)8-14/h2-8,11H,9-10H2,1H3/t11-/m1/s1
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2.10E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2A receptor


Bioorg Med Chem Lett 19: 2524-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.032
BindingDB Entry DOI: 10.7270/Q2F18ZK7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50343312
PNG
(2-((4-(2-Methoxy-4-(trifluoromethyl)phenyl)piperid...)
Show SMILES COc1cc(ccc1C1CCN(Cc2nc3ncccc3n2C)CC1)C(F)(F)F
Show InChI InChI=1S/C21H23F3N4O/c1-27-17-4-3-9-25-20(17)26-19(27)13-28-10-7-14(8-11-28)16-6-5-15(21(22,23)24)12-18(16)29-2/h3-6,9,12,14H,7-8,10-11,13H2,1-2H3
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2.43E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat corpus striatum by beta plate scintillation counting


J Med Chem 54: 1724-39 (2011)


Article DOI: 10.1021/jm101414h
BindingDB Entry DOI: 10.7270/Q2222V3C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50343318
PNG
((S)-2-((3,3-dimethyl-4-(4-(trifluoromethyl)phenyl)...)
Show SMILES Cn1c(CN2CC[C@@H](c3ccc(cc3)C(F)(F)F)C(C)(C)C2)nc2ncccc12 |r|
Show InChI InChI=1S/C22H25F3N4/c1-21(2)14-29(13-19-27-20-18(28(19)3)5-4-11-26-20)12-10-17(21)15-6-8-16(9-7-15)22(23,24)25/h4-9,11,17H,10,12-14H2,1-3H3/t17-/m0/s1
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>2.80E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat corpus striatum by beta plate scintillation counting


J Med Chem 54: 1724-39 (2011)


Article DOI: 10.1021/jm101414h
BindingDB Entry DOI: 10.7270/Q2222V3C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50343319
PNG
(CHEMBL1774227 | cis-1-methyl-2-(((3R,4R)-3-methyl-...)
Show SMILES C[C@H]1CN(Cc2nc3ncccc3n2C)CC[C@H]1c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H23F3N4/c1-14-12-28(13-19-26-20-18(27(19)2)4-3-10-25-20)11-9-17(14)15-5-7-16(8-6-15)21(22,23)24/h3-8,10,14,17H,9,11-13H2,1-2H3/t14-,17+/m0/s1
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>2.80E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat corpus striatum by beta plate scintillation counting


J Med Chem 54: 1724-39 (2011)


Article DOI: 10.1021/jm101414h
BindingDB Entry DOI: 10.7270/Q2222V3C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50343319
PNG
(CHEMBL1774227 | cis-1-methyl-2-(((3R,4R)-3-methyl-...)
Show SMILES C[C@H]1CN(Cc2nc3ncccc3n2C)CC[C@H]1c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H23F3N4/c1-14-12-28(13-19-26-20-18(27(19)2)4-3-10-25-20)11-9-17(14)15-5-7-16(8-6-15)21(22,23)24/h3-8,10,14,17H,9,11-13H2,1-2H3/t14-,17+/m0/s1
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>2.80E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat corpus striatum by beta plate scintillation counting


J Med Chem 54: 1724-39 (2011)


Article DOI: 10.1021/jm101414h
BindingDB Entry DOI: 10.7270/Q2222V3C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50343320
PNG
(CHEMBL1774228 | cis-1-methyl-2-(((3S,4S)-3-methyl-...)
Show SMILES C[C@@H]1CN(Cc2nc3ncccc3n2C)CC[C@@H]1c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H23F3N4/c1-14-12-28(13-19-26-20-18(27(19)2)4-3-10-25-20)11-9-17(14)15-5-7-16(8-6-15)21(22,23)24/h3-8,10,14,17H,9,11-13H2,1-2H3/t14-,17+/m1/s1
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>2.80E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat corpus striatum by beta plate scintillation counting


J Med Chem 54: 1724-39 (2011)


Article DOI: 10.1021/jm101414h
BindingDB Entry DOI: 10.7270/Q2222V3C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50277956
PNG
((R)-3-((2'-fluoro-4'-(trifluoromethoxy)biphenyl-4-...)
Show SMILES C[C@@H]1CN(Cc2ccc(cc2)-c2ccc(OC(F)(F)F)cc2F)C(=O)O1 |r|
Show InChI InChI=1S/C18H15F4NO3/c1-11-9-23(17(24)25-11)10-12-2-4-13(5-3-12)15-7-6-14(8-16(15)19)26-18(20,21)22/h2-8,11H,9-10H2,1H3/t11-/m1/s1
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>3.10E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2A receptor


Bioorg Med Chem Lett 19: 2524-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.032
BindingDB Entry DOI: 10.7270/Q2F18ZK7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50278007
PNG
((R)-3-((6-(2-fluoro-4-(trifluoromethoxy)phenyl)pyr...)
Show SMILES C[C@@H]1CN(Cc2ccc(nc2)-c2ccc(OC(F)(F)F)cc2F)C(=O)O1 |r|
Show InChI InChI=1S/C17H14F4N2O3/c1-10-8-23(16(24)25-10)9-11-2-5-15(22-7-11)13-4-3-12(6-14(13)18)26-17(19,20)21/h2-7,10H,8-9H2,1H3/t10-/m1/s1
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>3.10E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2A receptor


Bioorg Med Chem Lett 19: 2524-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.032
BindingDB Entry DOI: 10.7270/Q2F18ZK7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50278009
PNG
((R)-3-((6-(3,4-difluorophenyl)pyridin-3-yl)methyl)...)
Show SMILES C[C@@H]1CN(Cc2ccc(nc2)-c2ccc(F)c(F)c2)C(=O)O1 |r|
Show InChI InChI=1S/C16H14F2N2O2/c1-10-8-20(16(21)22-10)9-11-2-5-15(19-7-11)12-3-4-13(17)14(18)6-12/h2-7,10H,8-9H2,1H3/t10-/m1/s1
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>3.10E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2A receptor


Bioorg Med Chem Lett 19: 2524-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.032
BindingDB Entry DOI: 10.7270/Q2F18ZK7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50277846
PNG
((5R)-3-(4-(1-cyclohexylethoxy)benzyl)-5-methyloxaz...)
Show SMILES CC(Oc1ccc(CN2C[C@@H](C)OC2=O)cc1)C1CCCCC1 |r|
Show InChI InChI=1S/C19H27NO3/c1-14-12-20(19(21)22-14)13-16-8-10-18(11-9-16)23-15(2)17-6-4-3-5-7-17/h8-11,14-15,17H,3-7,12-13H2,1-2H3/t14-,15?/m1/s1
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>3.20E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2A receptor


Bioorg Med Chem Lett 19: 2524-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.032
BindingDB Entry DOI: 10.7270/Q2F18ZK7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50343327
PNG
(CHEMBL1774235 | cis-2-(((3R,4R)-4-(2-fluoro-4-(tri...)
Show SMILES C[C@H]1CN(Cc2nc3ncccc3n2C)CC[C@H]1c1ccc(OC(F)(F)F)cc1F |r|
Show InChI InChI=1S/C21H22F4N4O/c1-13-11-29(12-19-27-20-18(28(19)2)4-3-8-26-20)9-7-15(13)16-6-5-14(10-17(16)22)30-21(23,24)25/h3-6,8,10,13,15H,7,9,11-12H2,1-2H3/t13-,15+/m0/s1
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>4.68E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat corpus striatum by beta plate scintillation counting


J Med Chem 54: 1724-39 (2011)


Article DOI: 10.1021/jm101414h
BindingDB Entry DOI: 10.7270/Q2222V3C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50343323
PNG
(CHEMBL1774231 | cis-2-(((3R,4R)-4-(2-methoxy-4-(tr...)
Show SMILES COc1cc(ccc1[C@@H]1CCN(Cc2nc3ncccc3n2C)C[C@@H]1C)C(F)(F)F |r|
Show InChI InChI=1S/C22H25F3N4O/c1-14-12-29(13-20-27-21-18(28(20)2)5-4-9-26-21)10-8-16(14)17-7-6-15(22(23,24)25)11-19(17)30-3/h4-7,9,11,14,16H,8,10,12-13H2,1-3H3/t14-,16+/m0/s1
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>5.26E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat corpus striatum by beta plate scintillation counting


J Med Chem 54: 1724-39 (2011)


Article DOI: 10.1021/jm101414h
BindingDB Entry DOI: 10.7270/Q2222V3C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50343325
PNG
(CHEMBL1774233 | cis-2-(((3R,4R)-4-(2-fluoro-4-(tri...)
Show SMILES C[C@H]1CN(Cc2nc3ncccc3n2C)CC[C@H]1c1ccc(cc1F)C(F)(F)F |r|
Show InChI InChI=1S/C21H22F4N4/c1-13-11-29(12-19-27-20-18(28(19)2)4-3-8-26-20)9-7-15(13)16-6-5-14(10-17(16)22)21(23,24)25/h3-6,8,10,13,15H,7,9,11-12H2,1-2H3/t13-,15+/m0/s1
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>5.26E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat corpus striatum by beta plate scintillation counting


J Med Chem 54: 1724-39 (2011)


Article DOI: 10.1021/jm101414h
BindingDB Entry DOI: 10.7270/Q2222V3C
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50343297
PNG
(1-methyl-2-((4-(6-methyl-2-(pyrrolidin-1-yl)pyrimi...)
Show SMILES Cc1cc(nc(n1)N1CCCC1)C1CCN(Cc2nc3ccccc3n2C)CC1
Show InChI InChI=1S/C23H30N6/c1-17-15-20(26-23(24-17)29-11-5-6-12-29)18-9-13-28(14-10-18)16-22-25-19-7-3-4-8-21(19)27(22)2/h3-4,7-8,15,18H,5-6,9-14,16H2,1-2H3
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n/an/an/an/a 4.79E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat mGluR2 expressed in HEK293 cells co-expressing Galpha15 G protein assessed as increase in glutamate-induced int...


J Med Chem 54: 1724-39 (2011)


Article DOI: 10.1021/jm101414h
BindingDB Entry DOI: 10.7270/Q2222V3C
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50343295
PNG
(2-((4-(2-Methoxy-phenyl)piperidin-1-yl)methyl)-1-m...)
Show SMILES COc1ccccc1C1CCN(Cc2nc3ccccc3n2C)CC1
Show InChI InChI=1S/C21H25N3O/c1-23-19-9-5-4-8-18(19)22-21(23)15-24-13-11-16(12-14-24)17-7-3-6-10-20(17)25-2/h3-10,16H,11-15H2,1-2H3
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n/an/an/an/a 87n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat mGluR2 expressed in HEK293 cells co-expressing Galpha15 G protein assessed as increase in glutamate-induced int...


J Med Chem 54: 1724-39 (2011)


Article DOI: 10.1021/jm101414h
BindingDB Entry DOI: 10.7270/Q2222V3C
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50343298
PNG
(1-Methyl-2-((4-phenylpiperidin-1-yl)methyl)-1H-ben...)
Show SMILES Cn1c(CN2CCC(CC2)c2ccccc2)nc2ccccc12
Show InChI InChI=1S/C20H23N3/c1-22-19-10-6-5-9-18(19)21-20(22)15-23-13-11-17(12-14-23)16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3
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n/an/an/an/a 212n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat mGluR2 expressed in HEK293 cells co-expressing Galpha15 G protein assessed as increase in glutamate-induced int...


J Med Chem 54: 1724-39 (2011)


Article DOI: 10.1021/jm101414h
BindingDB Entry DOI: 10.7270/Q2222V3C
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50343299
PNG
(2-((4-(2-Fluorophenyl)piperidin-1-yl)methyl)-1-met...)
Show SMILES Cn1c(CN2CCC(CC2)c2ccccc2F)nc2ccccc12
Show InChI InChI=1S/C20H22FN3/c1-23-19-9-5-4-8-18(19)22-20(23)14-24-12-10-15(11-13-24)16-6-2-3-7-17(16)21/h2-9,15H,10-14H2,1H3
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n/an/an/an/a 22n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat mGluR2 expressed in HEK293 cells co-expressing Galpha15 G protein assessed as increase in glutamate-induced int...


J Med Chem 54: 1724-39 (2011)


Article DOI: 10.1021/jm101414h
BindingDB Entry DOI: 10.7270/Q2222V3C
More data for this
Ligand-Target Pair
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