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Compile Data Set for Download or QSAR

Found 486 hits with Last Name = 'mcmurray' and Initial = 'g'   
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


(Homo sapiens (Human))
BDBM50086246
PNG
(CHEMBL3425758)
Show SMILES C(Nc1nc(Cc2ccccc2)cc2CCNCCc12)C1CC1
Show InChI InChI=1S/C20H25N3/c1-2-4-15(5-3-1)12-18-13-17-8-10-21-11-9-19(17)20(23-18)22-14-16-6-7-16/h1-5,13,16,21H,6-12,14H2,(H,22,23)
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0.5n/an/an/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Inhibition of Cy3B conjugated serotonin analogue binding to human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cell membranes after 60 mi...


ACS Med Chem Lett 6: 329-33 (2015)


Article DOI: 10.1021/ml500507v
BindingDB Entry DOI: 10.7270/Q29K4CZW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50086248
PNG
(CHEMBL3425756)
Show SMILES CCNc1nc(Cc2ccccc2)cc2CCNCCc12
Show InChI InChI=1S/C18H23N3/c1-2-20-18-17-9-11-19-10-8-15(17)13-16(21-18)12-14-6-4-3-5-7-14/h3-7,13,19H,2,8-12H2,1H3,(H,20,21)
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3n/an/an/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Inhibition of Cy3B conjugated serotonin analogue binding to human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cell membranes after 60 mi...


ACS Med Chem Lett 6: 329-33 (2015)


Article DOI: 10.1021/ml500507v
BindingDB Entry DOI: 10.7270/Q29K4CZW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50086249
PNG
(CHEMBL3425755)
Show SMILES CNc1nc(Cc2ccccc2)cc2CCNCCc12
Show InChI InChI=1S/C17H21N3/c1-18-17-16-8-10-19-9-7-14(16)12-15(20-17)11-13-5-3-2-4-6-13/h2-6,12,19H,7-11H2,1H3,(H,18,20)
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3n/an/an/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Inhibition of Cy3B conjugated serotonin analogue binding to human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cell membranes after 60 mi...


ACS Med Chem Lett 6: 329-33 (2015)


Article DOI: 10.1021/ml500507v
BindingDB Entry DOI: 10.7270/Q29K4CZW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50086250
PNG
(CHEMBL3425759)
Show SMILES CCCNc1nc(Cc2ccccc2)cc2CCNCCc12
Show InChI InChI=1S/C19H25N3/c1-2-10-21-19-18-9-12-20-11-8-16(18)14-17(22-19)13-15-6-4-3-5-7-15/h3-7,14,20H,2,8-13H2,1H3,(H,21,22)
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4n/an/an/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Inhibition of Cy3B conjugated serotonin analogue binding to human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cell membranes after 60 mi...


ACS Med Chem Lett 6: 329-33 (2015)


Article DOI: 10.1021/ml500507v
BindingDB Entry DOI: 10.7270/Q29K4CZW
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50256615
PNG
((R)-3-fluoro-1-((5-fluoro-1-(1H-imidazol-2-yl)-2,3...)
Show SMILES Fc1ccn(Cc2c3CC[C@@H](c4ncc[nH]4)c3ccc2F)n1 |r|
Show InChI InChI=1S/C16H14F2N4/c17-14-4-3-10-11(1-2-12(10)16-19-6-7-20-16)13(14)9-22-8-5-15(18)21-22/h3-8,12H,1-2,9H2,(H,19,20)/t12-/m1/s1
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5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic alpha1A receptor (unknown origin)


Bioorg Med Chem Lett 18: 6437-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.066
BindingDB Entry DOI: 10.7270/Q2C24W91
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50019696
PNG
(CHEMBL3286557)
Show SMILES CNc1nc(nc2CCNCCc12)C(F)(F)c1ccccc1
Show InChI InChI=1S/C16H18F2N4/c1-19-14-12-7-9-20-10-8-13(12)21-15(22-14)16(17,18)11-5-3-2-4-6-11/h2-6,20H,7-10H2,1H3,(H,19,21,22)
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8n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


J Med Chem 57: 5258-69 (2014)


Article DOI: 10.1021/jm5003292
BindingDB Entry DOI: 10.7270/Q2J104RF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301297
PNG
(2-benzyl-6,7,8,9-tetrahydro-2H-pyridazino[4,3-d]az...)
Show SMILES O=c1cc2CCNCCc2nn1Cc1ccccc1
Show InChI InChI=1S/C15H17N3O/c19-15-10-13-6-8-16-9-7-14(13)17-18(15)11-12-4-2-1-3-5-12/h1-5,10,16H,6-9,11H2
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10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301297
PNG
(2-benzyl-6,7,8,9-tetrahydro-2H-pyridazino[4,3-d]az...)
Show SMILES O=c1cc2CCNCCc2nn1Cc1ccccc1
Show InChI InChI=1S/C15H17N3O/c19-15-10-13-6-8-16-9-7-14(13)17-18(15)11-12-4-2-1-3-5-12/h1-5,10,16H,6-9,11H2
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10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50086252
PNG
(CHEMBL3425762)
Show SMILES CN(C)c1nc(Cc2ccccc2)cc2CCNCCc12
Show InChI InChI=1S/C18H23N3/c1-21(2)18-17-9-11-19-10-8-15(17)13-16(20-18)12-14-6-4-3-5-7-14/h3-7,13,19H,8-12H2,1-2H3
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12n/an/an/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Inhibition of Cy3B conjugated serotonin analogue binding to human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cell membranes after 60 mi...


ACS Med Chem Lett 6: 329-33 (2015)


Article DOI: 10.1021/ml500507v
BindingDB Entry DOI: 10.7270/Q29K4CZW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50086247
PNG
(CHEMBL3425757)
Show SMILES CC(C)CNc1nc(Cc2ccccc2)cc2CCNCCc12
Show InChI InChI=1S/C20H27N3/c1-15(2)14-22-20-19-9-11-21-10-8-17(19)13-18(23-20)12-16-6-4-3-5-7-16/h3-7,13,15,21H,8-12,14H2,1-2H3,(H,22,23)
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12n/an/an/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Inhibition of Cy3B conjugated serotonin analogue binding to human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cell membranes after 60 mi...


ACS Med Chem Lett 6: 329-33 (2015)


Article DOI: 10.1021/ml500507v
BindingDB Entry DOI: 10.7270/Q29K4CZW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50086251
PNG
(CHEMBL3425760)
Show SMILES CC(C)Nc1nc(Cc2ccccc2)cc2CCNCCc12
Show InChI InChI=1S/C19H25N3/c1-14(2)21-19-18-9-11-20-10-8-16(18)13-17(22-19)12-15-6-4-3-5-7-15/h3-7,13-14,20H,8-12H2,1-2H3,(H,21,22)
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13n/an/an/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Inhibition of Cy3B conjugated serotonin analogue binding to human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cell membranes after 60 mi...


ACS Med Chem Lett 6: 329-33 (2015)


Article DOI: 10.1021/ml500507v
BindingDB Entry DOI: 10.7270/Q29K4CZW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 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 |r|
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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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
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50019685
PNG
(CHEMBL3286556)
Show SMILES CNc1nc(Cc2ccccc2)nc2[C@@H](C)CNCCc12 |r|
Show InChI InChI=1S/C17H22N4/c1-12-11-19-9-8-14-16(12)20-15(21-17(14)18-2)10-13-6-4-3-5-7-13/h3-7,12,19H,8-11H2,1-2H3,(H,18,20,21)/t12-/m0/s1
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15n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


J Med Chem 57: 5258-69 (2014)


Article DOI: 10.1021/jm5003292
BindingDB Entry DOI: 10.7270/Q2J104RF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50019682
PNG
(CHEMBL3286564)
Show SMILES C(c1ccccc1)c1nc2CCNCCc2c(n1)N1CCOCC1
Show InChI InChI=1S/C19H24N4O/c1-2-4-15(5-3-1)14-18-21-17-7-9-20-8-6-16(17)19(22-18)23-10-12-24-13-11-23/h1-5,20H,6-14H2
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20n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


J Med Chem 57: 5258-69 (2014)


Article DOI: 10.1021/jm5003292
BindingDB Entry DOI: 10.7270/Q2J104RF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50086245
PNG
(CHEMBL3425761)
Show SMILES C(Nc1nc(Cc2ccccc2)cc2CCNCCc12)c1ccccc1
Show InChI InChI=1S/C23H25N3/c1-3-7-18(8-4-1)15-21-16-20-11-13-24-14-12-22(20)23(26-21)25-17-19-9-5-2-6-10-19/h1-10,16,24H,11-15,17H2,(H,25,26)
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22n/an/an/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Inhibition of Cy3B conjugated serotonin analogue binding to human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cell membranes after 60 mi...


ACS Med Chem Lett 6: 329-33 (2015)


Article DOI: 10.1021/ml500507v
BindingDB Entry DOI: 10.7270/Q29K4CZW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50019664
PNG
(CHEMBL3286562)
Show SMILES CCNc1nc(Cc2ccccc2)nc2CCNCCc12
Show InChI InChI=1S/C17H22N4/c1-2-19-17-14-8-10-18-11-9-15(14)20-16(21-17)12-13-6-4-3-5-7-13/h3-7,18H,2,8-12H2,1H3,(H,19,20,21)
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29n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


J Med Chem 57: 5258-69 (2014)


Article DOI: 10.1021/jm5003292
BindingDB Entry DOI: 10.7270/Q2J104RF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50019691
PNG
(CHEMBL3286565)
Show SMILES CNc1nc(nc2CCNCCc12)C(C)c1ccccc1
Show InChI InChI=1S/C17H22N4/c1-12(13-6-4-3-5-7-13)16-20-15-9-11-19-10-8-14(15)17(18-2)21-16/h3-7,12,19H,8-11H2,1-2H3,(H,18,20,21)
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30n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


J Med Chem 57: 5258-69 (2014)


Article DOI: 10.1021/jm5003292
BindingDB Entry DOI: 10.7270/Q2J104RF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50019663
PNG
(CHEMBL3286561)
Show SMILES CNc1nc(Cc2ccccc2)nc2CCNCCc12
Show InChI InChI=1S/C16H20N4/c1-17-16-13-7-9-18-10-8-14(13)19-15(20-16)11-12-5-3-2-4-6-12/h2-6,18H,7-11H2,1H3,(H,17,19,20)
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31n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


J Med Chem 57: 5258-69 (2014)


Article DOI: 10.1021/jm5003292
BindingDB Entry DOI: 10.7270/Q2J104RF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50086253
PNG
(CHEMBL3425763)
Show SMILES C(c1ccccc1)c1cc2CCNCCc2cn1
Show InChI InChI=1S/C16H18N2/c1-2-4-13(5-3-1)10-16-11-14-6-8-17-9-7-15(14)12-18-16/h1-5,11-12,17H,6-10H2
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35n/an/an/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Inhibition of Cy3B conjugated serotonin analogue binding to human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cell membranes after 60 mi...


ACS Med Chem Lett 6: 329-33 (2015)


Article DOI: 10.1021/ml500507v
BindingDB Entry DOI: 10.7270/Q29K4CZW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50019662
PNG
(CHEMBL3286560)
Show SMILES COc1nc(Cc2ccccc2)nc2CCNCCc12
Show InChI InChI=1S/C16H19N3O/c1-20-16-13-7-9-17-10-8-14(13)18-15(19-16)11-12-5-3-2-4-6-12/h2-6,17H,7-11H2,1H3
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36n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


J Med Chem 57: 5258-69 (2014)


Article DOI: 10.1021/jm5003292
BindingDB Entry DOI: 10.7270/Q2J104RF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50019691
PNG
(CHEMBL3286565)
Show SMILES CNc1nc(nc2CCNCCc12)C(C)c1ccccc1
Show InChI InChI=1S/C17H22N4/c1-12(13-6-4-3-5-7-13)16-20-15-9-11-19-10-8-14(15)17(18-2)21-16/h3-7,12,19H,8-11H2,1-2H3,(H,18,20,21)
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38n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


J Med Chem 57: 5258-69 (2014)


Article DOI: 10.1021/jm5003292
BindingDB Entry DOI: 10.7270/Q2J104RF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50019692
PNG
(CHEMBL3286566)
Show SMILES CNc1nc(nc2CCNCCc12)C(C)(C)c1ccccc1
Show InChI InChI=1S/C18H24N4/c1-18(2,13-7-5-4-6-8-13)17-21-15-10-12-20-11-9-14(15)16(19-3)22-17/h4-8,20H,9-12H2,1-3H3,(H,19,21,22)
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50n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


J Med Chem 57: 5258-69 (2014)


Article DOI: 10.1021/jm5003292
BindingDB Entry DOI: 10.7270/Q2J104RF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50019695
PNG
(CHEMBL3286555)
Show SMILES CNc1nc(Cc2ccccc2)nc2[C@H](C)CNCCc12 |r|
Show InChI InChI=1S/C17H22N4/c1-12-11-19-9-8-14-16(12)20-15(21-17(14)18-2)10-13-6-4-3-5-7-13/h3-7,12,19H,8-11H2,1-2H3,(H,18,20,21)/t12-/m1/s1
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80n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


J Med Chem 57: 5258-69 (2014)


Article DOI: 10.1021/jm5003292
BindingDB Entry DOI: 10.7270/Q2J104RF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50532828
PNG
(CHEMBL4460600)
Show SMILES C(c1ccccc1)c1cc2CCNCCc2nn1
Show InChI InChI=1S/C15H17N3/c1-2-4-12(5-3-1)10-14-11-13-6-8-16-9-7-15(13)18-17-14/h1-5,11,16H,6-10H2
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80n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50532828
PNG
(CHEMBL4460600)
Show SMILES C(c1ccccc1)c1cc2CCNCCc2nn1
Show InChI InChI=1S/C15H17N3/c1-2-4-12(5-3-1)10-14-11-13-6-8-16-9-7-15(13)18-17-14/h1-5,11,16H,6-10H2
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80n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50256563
PNG
((R)-2-(5-chloro-4-(methoxymethyl)-2,3-dihydro-1H-i...)
Show SMILES COCc1c2CC[C@@H](c3ncc[nH]3)c2ccc1Cl |r|
Show InChI InChI=1S/C14H15ClN2O/c1-18-8-12-10-2-3-11(14-16-6-7-17-14)9(10)4-5-13(12)15/h4-7,11H,2-3,8H2,1H3,(H,16,17)/t11-/m1/s1
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83n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic alpha1A receptor (unknown origin)


Bioorg Med Chem Lett 18: 6437-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.066
BindingDB Entry DOI: 10.7270/Q2C24W91
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 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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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


(Homo sapiens (Human))
BDBM50301772
PNG
((R)-6-(2-methylpiperazin-1-yl)-2-(2-(2-(trifluorom...)
Show SMILES C[C@@H]1CNCCN1c1ccc(=O)n(CCOc2ccccc2C(F)(F)F)n1 |r|
Show InChI InChI=1S/C18H21F3N4O2/c1-13-12-22-8-9-24(13)16-6-7-17(26)25(23-16)10-11-27-15-5-3-2-4-14(15)18(19,20)21/h2-7,13,22H,8-12H2,1H3/t13-/m1/s1
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89n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5791-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.136
BindingDB Entry DOI: 10.7270/Q2X0674Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50019694
PNG
(CHEMBL3286554)
Show SMILES CNc1nc(nc2CCNCCc12)C1(CC1)c1ccccc1
Show InChI InChI=1S/C18H22N4/c1-19-16-14-7-11-20-12-8-15(14)21-17(22-16)18(9-10-18)13-5-3-2-4-6-13/h2-6,20H,7-12H2,1H3,(H,19,21,22)
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102n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


J Med Chem 57: 5258-69 (2014)


Article DOI: 10.1021/jm5003292
BindingDB Entry DOI: 10.7270/Q2J104RF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50532829
PNG
(CHEMBL4571336)
Show SMILES O=c1[nH]c2CCNCCc2nc1Cc1ccccc1
Show InChI InChI=1S/C15H17N3O/c19-15-14(10-11-4-2-1-3-5-11)17-12-6-8-16-9-7-13(12)18-15/h1-5,16H,6-10H2,(H,18,19)
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110n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50532829
PNG
(CHEMBL4571336)
Show SMILES O=c1[nH]c2CCNCCc2nc1Cc1ccccc1
Show InChI InChI=1S/C15H17N3O/c19-15-14(10-11-4-2-1-3-5-11)17-12-6-8-16-9-7-13(12)18-15/h1-5,16H,6-10H2,(H,18,19)
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110n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50532827
PNG
(CHEMBL4571641)
Show SMILES Clc1ccc(Cc2cc3CCNCCc3nn2)cc1
Show InChI InChI=1S/C15H16ClN3/c16-13-3-1-11(2-4-13)9-14-10-12-5-7-17-8-6-15(12)19-18-14/h1-4,10,17H,5-9H2
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120n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50532827
PNG
(CHEMBL4571641)
Show SMILES Clc1ccc(Cc2cc3CCNCCc3nn2)cc1
Show InChI InChI=1S/C15H16ClN3/c16-13-3-1-11(2-4-13)9-14-10-12-5-7-17-8-6-15(12)19-18-14/h1-4,10,17H,5-9H2
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120n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(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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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


(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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160n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


J Med Chem 57: 5258-69 (2014)


Article DOI: 10.1021/jm5003292
BindingDB Entry DOI: 10.7270/Q2J104RF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 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 |r|
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
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 2C


(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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180n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(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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180n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50532825
PNG
(CHEMBL4437696)
Show SMILES CC(c1ccccc1)c1cc2CCNCCc2nn1
Show InChI InChI=1S/C16H19N3/c1-12(13-5-3-2-4-6-13)16-11-14-7-9-17-10-8-15(14)18-19-16/h2-6,11-12,17H,7-10H2,1H3
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200n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50532831
PNG
(CHEMBL4463588)
Show SMILES Clc1ccccc1Cc1cc2CCNCCc2nn1
Show InChI InChI=1S/C15H16ClN3/c16-14-4-2-1-3-11(14)9-13-10-12-5-7-17-8-6-15(12)19-18-13/h1-4,10,17H,5-9H2
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200n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50532825
PNG
(CHEMBL4437696)
Show SMILES CC(c1ccccc1)c1cc2CCNCCc2nn1
Show InChI InChI=1S/C16H19N3/c1-12(13-5-3-2-4-6-13)16-11-14-7-9-17-10-8-15(14)18-19-16/h2-6,11-12,17H,7-10H2,1H3
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200n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50532831
PNG
(CHEMBL4463588)
Show SMILES Clc1ccccc1Cc1cc2CCNCCc2nn1
Show InChI InChI=1S/C15H16ClN3/c16-14-4-2-1-3-11(14)9-13-10-12-5-7-17-8-6-15(12)19-18-13/h1-4,10,17H,5-9H2
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200n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50532825
PNG
(CHEMBL4437696)
Show SMILES CC(c1ccccc1)c1cc2CCNCCc2nn1
Show InChI InChI=1S/C16H19N3/c1-12(13-5-3-2-4-6-13)16-11-14-7-9-17-10-8-15(14)18-19-16/h2-6,11-12,17H,7-10H2,1H3
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200n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50532825
PNG
(CHEMBL4437696)
Show SMILES CC(c1ccccc1)c1cc2CCNCCc2nn1
Show InChI InChI=1S/C16H19N3/c1-12(13-5-3-2-4-6-13)16-11-14-7-9-17-10-8-15(14)18-19-16/h2-6,11-12,17H,7-10H2,1H3
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200n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50019674
PNG
(CHEMBL3286563)
Show SMILES CN(C)c1nc(Cc2ccccc2)nc2CCNCCc12
Show InChI InChI=1S/C17H22N4/c1-21(2)17-14-8-10-18-11-9-15(14)19-16(20-17)12-13-6-4-3-5-7-13/h3-7,18H,8-12H2,1-2H3
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233n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


J Med Chem 57: 5258-69 (2014)


Article DOI: 10.1021/jm5003292
BindingDB Entry DOI: 10.7270/Q2J104RF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 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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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


(Homo sapiens (Human))
BDBM50532824
PNG
(CHEMBL4538660)
Show SMILES FC(F)(F)c1cccc(Cc2cc3CCNCCc3nn2)c1
Show InChI InChI=1S/C16H16F3N3/c17-16(18,19)13-3-1-2-11(8-13)9-14-10-12-4-6-20-7-5-15(12)22-21-14/h1-3,8,10,20H,4-7,9H2
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250n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50532824
PNG
(CHEMBL4538660)
Show SMILES FC(F)(F)c1cccc(Cc2cc3CCNCCc3nn2)c1
Show InChI InChI=1S/C16H16F3N3/c17-16(18,19)13-3-1-2-11(8-13)9-14-10-12-4-6-20-7-5-15(12)22-21-14/h1-3,8,10,20H,4-7,9H2
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250n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 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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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


(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
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