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PubMed code 21195614

Compile data set for download or QSAR
Found 56 hits of Enzyme Inhibition Constant Data   
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 2C (5-HT2C)


(Homo sapiens (human))
BDBM50161646
PNG
((1R)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-ben...)
Show SMILES C[C@H]1CNCCc2ccc(Cl)cc12
Show InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1
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PubMed
15n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5HT2C receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50342539
PNG
(2-(3-chlorobenzyl)-6,7,8,9-tetrahydro-5H-pyrimido[...)
Show SMILES Clc1cccc(Cc2ncc3CCNCCc3n2)c1
Show InChI InChI=1S/C15H16ClN3/c16-13-3-1-2-11(8-13)9-15-18-10-12-4-6-17-7-5-14(12)19-15/h1-3,8,10,17H,4-7,9H2
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PubMed
84n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]meselurgine from human 5HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50342538
PNG
(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Show SMILES C(c1ccccc1)c1ncc2CCNCCc2n1
Show InChI InChI=1S/C15H17N3/c1-2-4-12(5-3-1)10-15-17-11-13-6-8-16-9-7-14(13)18-15/h1-5,11,16H,6-10H2
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PubMed
160n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]meselurgine from human 5HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50161646
PNG
((1R)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-ben...)
Show SMILES C[C@H]1CNCCc2ccc(Cl)cc12
Show InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1
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167n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]meselurgine from human 5HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50342547
PNG
(2-(3-methylbenzyl)-6,7,8,9-tetrahydro-5H-pyrimido[...)
Show SMILES Cc1cccc(Cc2ncc3CCNCCc3n2)c1
Show InChI InChI=1S/C16H19N3/c1-12-3-2-4-13(9-12)10-16-18-11-14-5-7-17-8-6-15(14)19-16/h2-4,9,11,17H,5-8,10H2,1H3
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244n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]meselurgine from human 5HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50342548
PNG
(2-(2-methylbenzyl)-6,7,8,9-tetrahydro-5H-pyrimido[...)
Show SMILES Cc1ccccc1Cc1ncc2CCNCCc2n1
Show InChI InChI=1S/C16H19N3/c1-12-4-2-3-5-13(12)10-16-18-11-14-6-8-17-9-7-15(14)19-16/h2-5,11,17H,6-10H2,1H3
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305n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]meselurgine from human 5HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50342544
PNG
(2-(3-(trifluoromethyl)benzyl)-6,7,8,9-tetrahydro-5...)
Show SMILES FC(F)(F)c1cccc(Cc2ncc3CCNCCc3n2)c1
Show InChI InChI=1S/C16H16F3N3/c17-16(18,19)13-3-1-2-11(8-13)9-15-21-10-12-4-6-20-7-5-14(12)22-15/h1-3,8,10,20H,4-7,9H2
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308n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]meselurgine from human 5HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50342549
PNG
(2-(4-fluorobenzyl)-6,7,8,9-tetrahydro-5H-pyrimido[...)
Show SMILES Fc1ccc(Cc2ncc3CCNCCc3n2)cc1
Show InChI InChI=1S/C15H16FN3/c16-13-3-1-11(2-4-13)9-15-18-10-12-5-7-17-8-6-14(12)19-15/h1-4,10,17H,5-9H2
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470n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]meselurgine from human 5HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50342545
PNG
(2-(2-chlorobenzyl)-6,7,8,9-tetrahydro-5H-pyrimido[...)
Show SMILES Clc1ccccc1Cc1ncc2CCNCCc2n1
Show InChI InChI=1S/C15H16ClN3/c16-13-4-2-1-3-11(13)9-15-18-10-12-5-7-17-8-6-14(12)19-15/h1-4,10,17H,5-9H2
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1.85E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]meselurgine from human 5HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50342538
PNG
(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Show SMILES C(c1ccccc1)c1ncc2CCNCCc2n1
Show InChI InChI=1S/C15H17N3/c1-2-4-12(5-3-1)10-15-17-11-13-6-8-16-9-7-14(13)18-15/h1-5,11,16H,6-10H2
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n/an/a 300n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M1 receptor


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50342538
PNG
(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Show SMILES C(c1ccccc1)c1ncc2CCNCCc2n1
Show InChI InChI=1S/C15H17N3/c1-2-4-12(5-3-1)10-15-17-11-13-6-8-16-9-7-14(13)18-15/h1-5,11,16H,6-10H2
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n/an/a 300n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M3 receptor


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(HUMAN M3)
BDBM50342538
PNG
(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Show SMILES C(c1ccccc1)c1ncc2CCNCCc2n1
Show InChI InChI=1S/C15H17N3/c1-2-4-12(5-3-1)10-15-17-11-13-6-8-16-9-7-14(13)18-15/h1-5,11,16H,6-10H2
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n/an/a 300n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M4 receptor


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM50342538
PNG
(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Show SMILES C(c1ccccc1)c1ncc2CCNCCc2n1
Show InChI InChI=1S/C15H17N3/c1-2-4-12(5-3-1)10-15-17-11-13-6-8-16-9-7-14(13)18-15/h1-5,11,16H,6-10H2
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n/an/a 300n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M5 receptor


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50342538
PNG
(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Show SMILES C(c1ccccc1)c1ncc2CCNCCc2n1
Show InChI InChI=1S/C15H17N3/c1-2-4-12(5-3-1)10-15-17-11-13-6-8-16-9-7-14(13)18-15/h1-5,11,16H,6-10H2
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n/an/a 1.80E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT6 receptor


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50342538
PNG
(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Show SMILES C(c1ccccc1)c1ncc2CCNCCc2n1
Show InChI InChI=1S/C15H17N3/c1-2-4-12(5-3-1)10-15-17-11-13-6-8-16-9-7-14(13)18-15/h1-5,11,16H,6-10H2
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n/an/a 2.30E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT3 receptor


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(HUMAN M3)
BDBM50342538
PNG
(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Show SMILES C(c1ccccc1)c1ncc2CCNCCc2n1
Show InChI InChI=1S/C15H17N3/c1-2-4-12(5-3-1)10-15-17-11-13-6-8-16-9-7-14(13)18-15/h1-5,11,16H,6-10H2
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n/an/a 6.80E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M4 receptor


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50342538
PNG
(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Show SMILES C(c1ccccc1)c1ncc2CCNCCc2n1
Show InChI InChI=1S/C15H17N3/c1-2-4-12(5-3-1)10-15-17-11-13-6-8-16-9-7-14(13)18-15/h1-5,11,16H,6-10H2
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MMDB

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n/an/a>2.23E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50342538
PNG
(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Show SMILES C(c1ccccc1)c1ncc2CCNCCc2n1
Show InChI InChI=1S/C15H17N3/c1-2-4-12(5-3-1)10-15-17-11-13-6-8-16-9-7-14(13)18-15/h1-5,11,16H,6-10H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50342538
PNG
(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Show SMILES C(c1ccccc1)c1ncc2CCNCCc2n1
Show InChI InChI=1S/C15H17N3/c1-2-4-12(5-3-1)10-15-17-11-13-6-8-16-9-7-14(13)18-15/h1-5,11,16H,6-10H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50342538
PNG
(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Show SMILES C(c1ccccc1)c1ncc2CCNCCc2n1
Show InChI InChI=1S/C15H17N3/c1-2-4-12(5-3-1)10-15-17-11-13-6-8-16-9-7-14(13)18-15/h1-5,11,16H,6-10H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50342538
PNG
(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Show SMILES C(c1ccccc1)c1ncc2CCNCCc2n1
Show InChI InChI=1S/C15H17N3/c1-2-4-12(5-3-1)10-15-17-11-13-6-8-16-9-7-14(13)18-15/h1-5,11,16H,6-10H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50342538
PNG
(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Show SMILES C(c1ccccc1)c1ncc2CCNCCc2n1
Show InChI InChI=1S/C15H17N3/c1-2-4-12(5-3-1)10-15-17-11-13-6-8-16-9-7-14(13)18-15/h1-5,11,16H,6-10H2
PDB
MMDB

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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50342538
PNG
(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Show SMILES C(c1ccccc1)c1ncc2CCNCCc2n1
Show InChI InChI=1S/C15H17N3/c1-2-4-12(5-3-1)10-15-17-11-13-6-8-16-9-7-14(13)18-15/h1-5,11,16H,6-10H2
PDB
MMDB

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n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch-clamp method


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50342545
PNG
(2-(2-chlorobenzyl)-6,7,8,9-tetrahydro-5H-pyrimido[...)
Show SMILES Clc1ccccc1Cc1ncc2CCNCCc2n1
Show InChI InChI=1S/C15H16ClN3/c16-13-4-2-1-3-11(13)9-15-18-10-12-5-7-17-8-6-14(12)19-15/h1-4,10,17H,5-9H2
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n/an/an/an/a 178n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2B receptor expressed in CHO-K1 cells assessed as increase of fluorescence based calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50342539
PNG
(2-(3-chlorobenzyl)-6,7,8,9-tetrahydro-5H-pyrimido[...)
Show SMILES Clc1cccc(Cc2ncc3CCNCCc3n2)c1
Show InChI InChI=1S/C15H16ClN3/c16-13-3-1-2-11(8-13)9-15-18-10-12-4-6-17-7-5-14(12)19-15/h1-3,8,10,17H,4-7,9H2
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n/an/an/an/a 180n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2C receptor expressed in CHO-K1 cells assessed as increase of fluorescence based calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50342548
PNG
(2-(2-methylbenzyl)-6,7,8,9-tetrahydro-5H-pyrimido[...)
Show SMILES Cc1ccccc1Cc1ncc2CCNCCc2n1
Show InChI InChI=1S/C16H19N3/c1-12-4-2-3-5-13(12)10-16-18-11-14-6-8-17-9-7-15(14)19-16/h2-5,11,17H,6-10H2,1H3
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n/an/an/an/a 1.20E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2B receptor expressed in CHO-K1 cells assessed as increase of fluorescence based calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50342549
PNG
(2-(4-fluorobenzyl)-6,7,8,9-tetrahydro-5H-pyrimido[...)
Show SMILES Fc1ccc(Cc2ncc3CCNCCc3n2)cc1
Show InChI InChI=1S/C15H16FN3/c16-13-3-1-11(2-4-13)9-15-18-10-12-5-7-17-8-6-14(12)19-15/h1-4,10,17H,5-9H2
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n/an/an/an/a 610n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2B receptor expressed in CHO-K1 cells assessed as increase of fluorescence based calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50161646
PNG
((1R)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-ben...)
Show SMILES C[C@H]1CNCCc2ccc(Cl)cc12
Show InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1
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n/an/an/an/a 943n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2B receptor expressed in HEK293 cells by inositol phosphate accumulation assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50342538
PNG
(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Show SMILES C(c1ccccc1)c1ncc2CCNCCc2n1
Show InChI InChI=1S/C15H17N3/c1-2-4-12(5-3-1)10-15-17-11-13-6-8-16-9-7-14(13)18-15/h1-5,11,16H,6-10H2
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n/an/an/an/a 4.5n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2C receptor highly expressed in Swiss mouse 3T3 cells increase of fluorescence based calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50161646
PNG
((1R)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-ben...)
Show SMILES C[C@H]1CNCCc2ccc(Cl)cc12
Show InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1
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n/an/an/an/a 9n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2C receptor expressed in HEK293 cells by inositol phosphate accumulation assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50161646
PNG
((1R)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-ben...)
Show SMILES C[C@H]1CNCCc2ccc(Cl)cc12
Show InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1
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n/an/an/an/a 210n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2C receptor expressed in CHO-K1 cells assessed as increase of fluorescence based calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50342549
PNG
(2-(4-fluorobenzyl)-6,7,8,9-tetrahydro-5H-pyrimido[...)
Show SMILES Fc1ccc(Cc2ncc3CCNCCc3n2)cc1
Show InChI InChI=1S/C15H16FN3/c16-13-3-1-11(2-4-13)9-15-18-10-12-5-7-17-8-6-14(12)19-15/h1-4,10,17H,5-9H2
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n/an/an/an/a 310n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2C receptor expressed in CHO-K1 cells assessed as increase of fluorescence based calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50342538
PNG
(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Show SMILES C(c1ccccc1)c1ncc2CCNCCc2n1
Show InChI InChI=1S/C15H17N3/c1-2-4-12(5-3-1)10-15-17-11-13-6-8-16-9-7-14(13)18-15/h1-5,11,16H,6-10H2
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n/an/an/an/a 4.5n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2C receptor expressed in CHO-K1 cells assessed as increase of fluorescence based calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50342542
PNG
(2-phenethyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]a...)
Show SMILES C(Cc1ncc2CCNCCc2n1)c1ccccc1
Show InChI InChI=1S/C16H19N3/c1-2-4-13(5-3-1)6-7-16-18-12-14-8-10-17-11-9-15(14)19-16/h1-5,12,17H,6-11H2
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n/an/an/an/a 4.80E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2C receptor expressed in Swiss mouse 3T3 cells with low expression increase of fluorescence based calcium mobilization b...


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
HTR2C


(CANINE)
BDBM50161646
PNG
((1R)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-ben...)
Show SMILES C[C@H]1CNCCc2ccc(Cl)cc12
Show InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1
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n/an/an/an/a 16.2n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at dog 5HT2C receptor


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50342551
PNG
(2-(3-phenylpropyl)-5,6,7,8-tetrahydropyrido[4,3-d]...)
Show SMILES C(Cc1ccccc1)Cc1ncc2CNCCc2n1
Show InChI InChI=1S/C16H19N3/c1-2-5-13(6-3-1)7-4-8-16-18-12-14-11-17-10-9-15(14)19-16/h1-3,5-6,12,17H,4,7-11H2
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n/an/an/an/a 1.90E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2C receptor expressed in CHO-K1 cells assessed as increase of fluorescence based calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50342538
PNG
(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Show SMILES C(c1ccccc1)c1ncc2CCNCCc2n1
Show InChI InChI=1S/C15H17N3/c1-2-4-12(5-3-1)10-15-17-11-13-6-8-16-9-7-14(13)18-15/h1-5,11,16H,6-10H2
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n/an/an/an/a 190n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2C receptor expressed in Swiss mouse 3T3 cells with low expression increase of fluorescence based calcium mobilization b...


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50342542
PNG
(2-phenethyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]a...)
Show SMILES C(Cc1ncc2CCNCCc2n1)c1ccccc1
Show InChI InChI=1S/C16H19N3/c1-2-4-13(5-3-1)6-7-16-18-12-14-8-10-17-11-9-15(14)19-16/h1-5,12,17H,6-11H2
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n/an/an/an/a 110n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2C receptor expressed in CHO-K1 cells assessed as increase of fluorescence based calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Canis familiaris)
BDBM50342538
PNG
(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Show SMILES C(c1ccccc1)c1ncc2CCNCCc2n1
Show InChI InChI=1S/C15H17N3/c1-2-4-12(5-3-1)10-15-17-11-13-6-8-16-9-7-14(13)18-15/h1-5,11,16H,6-10H2
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n/an/an/an/a 3.40E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2A receptor in dog femoral artery


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50342547
PNG
(2-(3-methylbenzyl)-6,7,8,9-tetrahydro-5H-pyrimido[...)
Show SMILES Cc1cccc(Cc2ncc3CCNCCc3n2)c1
Show InChI InChI=1S/C16H19N3/c1-12-3-2-4-13(9-12)10-16-18-11-14-5-7-17-8-6-15(14)19-16/h2-4,9,11,17H,5-8,10H2,1H3
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n/an/an/an/a 410n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2B receptor expressed in CHO-K1 cells assessed as increase of fluorescence based calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50342546
PNG
(2-(2-fluorobenzyl)-6,7,8,9-tetrahydro-5H-pyrimido[...)
Show SMILES Fc1ccccc1Cc1ncc2CCNCCc2n1
Show InChI InChI=1S/C15H16FN3/c16-13-4-2-1-3-11(13)9-15-18-10-12-5-7-17-8-6-14(12)19-15/h1-4,10,17H,5-9H2
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n/an/an/an/a 194n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2C receptor expressed in CHO-K1 cells assessed as increase of fluorescence based calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50342541
PNG
(2-(4-methylbenzyl)-6,7,8,9-tetrahydro-5H-pyrimido[...)
Show SMILES Cc1ccc(Cc2ncc3CCNCCc3n2)cc1
Show InChI InChI=1S/C16H19N3/c1-12-2-4-13(5-3-12)10-16-18-11-14-6-8-17-9-7-15(14)19-16/h2-5,11,17H,6-10H2,1H3
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n/an/an/an/a 164n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2B receptor expressed in CHO-K1 cells assessed as increase of fluorescence based calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50342544
PNG
(2-(3-(trifluoromethyl)benzyl)-6,7,8,9-tetrahydro-5...)
Show SMILES FC(F)(F)c1cccc(Cc2ncc3CCNCCc3n2)c1
Show InChI InChI=1S/C16H16F3N3/c17-16(18,19)13-3-1-2-11(8-13)9-15-21-10-12-4-6-20-7-5-14(12)22-15/h1-3,8,10,20H,4-7,9H2
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n/an/an/an/a 160n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2B receptor expressed in CHO-K1 cells assessed as increase of fluorescence based calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50342543
PNG
(2-(3-fluorobenzyl)-6,7,8,9-tetrahydro-5H-pyrimido[...)
Show SMILES Fc1cccc(Cc2ncc3CCNCCc3n2)c1
Show InChI InChI=1S/C15H16FN3/c16-13-3-1-2-11(8-13)9-15-18-10-12-4-6-17-7-5-14(12)19-15/h1-3,8,10,17H,4-7,9H2
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n/an/an/an/a 125n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2C receptor expressed in CHO-K1 cells assessed as increase of fluorescence based calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50342541
PNG
(2-(4-methylbenzyl)-6,7,8,9-tetrahydro-5H-pyrimido[...)
Show SMILES Cc1ccc(Cc2ncc3CCNCCc3n2)cc1
Show InChI InChI=1S/C16H19N3/c1-12-2-4-13(5-3-12)10-16-18-11-14-6-8-17-9-7-15(14)19-16/h2-5,11,17H,6-10H2,1H3
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n/an/an/an/a 100n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2C receptor expressed in CHO-K1 cells assessed as increase of fluorescence based calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50342540
PNG
(2-(4-chlorobenzyl)-6,7,8,9-tetrahydro-5H-pyrimido[...)
Show SMILES Clc1ccc(Cc2ncc3CCNCCc3n2)cc1
Show InChI InChI=1S/C15H16ClN3/c16-13-3-1-11(2-4-13)9-15-18-10-12-5-7-17-8-6-14(12)19-15/h1-4,10,17H,5-9H2
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n/an/an/an/a 60n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2B receptor expressed in CHO-K1 cells assessed as increase of fluorescence based calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50342539
PNG
(2-(3-chlorobenzyl)-6,7,8,9-tetrahydro-5H-pyrimido[...)
Show SMILES Clc1cccc(Cc2ncc3CCNCCc3n2)c1
Show InChI InChI=1S/C15H16ClN3/c16-13-3-1-2-11(8-13)9-15-18-10-12-4-6-17-7-5-14(12)19-15/h1-3,8,10,17H,4-7,9H2
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n/an/an/an/a 30n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2B receptor expressed in CHO-K1 cells assessed as increase of fluorescence based calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50342544
PNG
(2-(3-(trifluoromethyl)benzyl)-6,7,8,9-tetrahydro-5...)
Show SMILES FC(F)(F)c1cccc(Cc2ncc3CCNCCc3n2)c1
Show InChI InChI=1S/C16H16F3N3/c17-16(18,19)13-3-1-2-11(8-13)9-15-21-10-12-4-6-20-7-5-14(12)22-15/h1-3,8,10,20H,4-7,9H2
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n/an/an/an/a 300n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2C receptor expressed in CHO-K1 cells assessed as increase of fluorescence based calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50342547
PNG
(2-(3-methylbenzyl)-6,7,8,9-tetrahydro-5H-pyrimido[...)
Show SMILES Cc1cccc(Cc2ncc3CCNCCc3n2)c1
Show InChI InChI=1S/C16H19N3/c1-12-3-2-4-13(9-12)10-16-18-11-14-5-7-17-8-6-15(14)19-16/h2-4,9,11,17H,5-8,10H2,1H3
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n/an/an/an/a 210n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2C receptor expressed in CHO-K1 cells assessed as increase of fluorescence based calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50342540
PNG
(2-(4-chlorobenzyl)-6,7,8,9-tetrahydro-5H-pyrimido[...)
Show SMILES Clc1ccc(Cc2ncc3CCNCCc3n2)cc1
Show InChI InChI=1S/C15H16ClN3/c16-13-3-1-11(2-4-13)9-15-18-10-12-5-7-17-8-6-14(12)19-15/h1-4,10,17H,5-9H2
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n/an/an/an/a 192n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2C receptor expressed in CHO-K1 cells assessed as increase of fluorescence based calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50342543
PNG
(2-(3-fluorobenzyl)-6,7,8,9-tetrahydro-5H-pyrimido[...)
Show SMILES Fc1cccc(Cc2ncc3CCNCCc3n2)c1
Show InChI InChI=1S/C15H16FN3/c16-13-3-1-2-11(8-13)9-15-18-10-12-4-6-17-7-5-14(12)19-15/h1-3,8,10,17H,4-7,9H2
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n/an/an/an/a 183n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2B receptor expressed in CHO-K1 cells assessed as increase of fluorescence based calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50342538
PNG
(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Show SMILES C(c1ccccc1)c1ncc2CCNCCc2n1
Show InChI InChI=1S/C15H17N3/c1-2-4-12(5-3-1)10-15-17-11-13-6-8-16-9-7-14(13)18-15/h1-5,11,16H,6-10H2
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n/an/an/an/a 68n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2A receptor expressed in Swiss mouse 3T3 cells increase of fluorescence based calcium mobilization by FLIPR ...


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
HTR2C


(CANINE)
BDBM50342538
PNG
(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Show SMILES C(c1ccccc1)c1ncc2CCNCCc2n1
Show InChI InChI=1S/C15H17N3/c1-2-4-12(5-3-1)10-15-17-11-13-6-8-16-9-7-14(13)18-15/h1-5,11,16H,6-10H2
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n/an/an/an/a 10.8n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at dog 5HT2C receptor


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50342550
PNG
(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine...)
Show SMILES C1Cc2cnc(nc2CN1)-c1ccccc1
Show InChI InChI=1S/C13H13N3/c1-2-4-10(5-3-1)13-15-8-11-6-7-14-9-12(11)16-13/h1-5,8,14H,6-7,9H2
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n/an/an/an/a 380n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2C receptor expressed in CHO-K1 cells assessed as increase of fluorescence based calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50342546
PNG
(2-(2-fluorobenzyl)-6,7,8,9-tetrahydro-5H-pyrimido[...)
Show SMILES Fc1ccccc1Cc1ncc2CCNCCc2n1
Show InChI InChI=1S/C15H16FN3/c16-13-4-2-1-3-11(13)9-15-18-10-12-5-7-17-8-6-14(12)19-15/h1-4,10,17H,5-9H2
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n/an/an/an/a 220n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2B receptor expressed in CHO-K1 cells assessed as increase of fluorescence based calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50342548
PNG
(2-(2-methylbenzyl)-6,7,8,9-tetrahydro-5H-pyrimido[...)
Show SMILES Cc1ccccc1Cc1ncc2CCNCCc2n1
Show InChI InChI=1S/C16H19N3/c1-12-4-2-3-5-13(12)10-16-18-11-14-6-8-17-9-7-15(14)19-16/h2-5,11,17H,6-10H2,1H3
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n/an/an/an/a 330n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2C receptor expressed in CHO-K1 cells assessed as increase of fluorescence based calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%