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Compile Data Set for Download or QSAR

Found 235 hits with Last Name = 'tomlinson' and Initial = 'e'   
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))
BDBM50304826
PNG
((S)-7-(2-chlorophenoxy)-2-((R)-2-methylpiperazin-1...)
Show SMILES C[C@@H]1CNCCN1c1ccc2CC[C@H](Oc3ccccc3Cl)c2n1 |r|
Show InChI InChI=1S/C19H22ClN3O/c1-13-12-21-10-11-23(13)18-9-7-14-6-8-17(19(14)22-18)24-16-5-3-2-4-15(16)20/h2-5,7,9,13,17,21H,6,8,10-12H2,1H3/t13-,17+/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT2C receptor expressed in mouse 3T3 cells by scintillation counting


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50304805
PNG
((S)-7-(2-chlorophenoxy)-2-(piperazin-1-yl)-6,7-dih...)
Show SMILES Clc1ccccc1O[C@H]1CCc2ccc(nc12)N1CCNCC1 |r|
Show InChI InChI=1S/C18H20ClN3O/c19-14-3-1-2-4-15(14)23-16-7-5-13-6-8-17(21-18(13)16)22-11-9-20-10-12-22/h1-4,6,8,16,20H,5,7,9-12H2/t16-/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity against human 5HT2C receptor by FLIPR assay relative to 5HT


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50304802
PNG
((S)-8-(2-chlorophenoxy)-2-(piperazin-1-yl)-5,6,7,8...)
Show SMILES Clc1ccccc1O[C@H]1CCCc2ccc(nc12)N1CCNCC1 |r|
Show InChI InChI=1S/C19H22ClN3O/c20-15-5-1-2-6-16(15)24-17-7-3-4-14-8-9-18(22-19(14)17)23-12-10-21-11-13-23/h1-2,5-6,8-9,17,21H,3-4,7,10-13H2/t17-/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from rat 5HT2A receptor expressed in mouse 3T3 cells


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50380913
PNG
(CHEMBL2016732)
Show SMILES CN([C@H]1CC[C@]2(CC1)OC(=O)c1ccccc21)C(=O)Nc1ccn(n1)-c1ccccc1F |r,wU:2.1,5.8,(21.96,-24.15,;21.92,-25.7,;20.56,-26.43,;20.55,-27.97,;19.23,-28.74,;17.89,-27.96,;17.89,-26.43,;19.23,-25.66,;18.05,-29.5,;16.65,-30.12,;16.32,-31.63,;15.62,-28.98,;14.08,-28.97,;13.32,-27.65,;14.08,-26.32,;15.62,-26.31,;16.39,-27.64,;23.23,-26.5,;23.3,-28.04,;24.56,-25.72,;25.85,-26.57,;27.3,-26.02,;28.27,-27.22,;27.42,-28.51,;25.93,-28.1,;28.17,-29.86,;27.38,-31.18,;28.13,-32.53,;29.67,-32.55,;30.46,-31.21,;29.71,-29.87,;30.49,-28.55,)|
Show InChI InChI=1S/C24H23FN4O3/c1-28(23(31)26-21-12-15-29(27-21)20-9-5-4-8-19(20)25)16-10-13-24(14-11-16)18-7-3-2-6-17(18)22(30)32-24/h2-9,12,15-16H,10-11,13-14H2,1H3,(H,26,27,31)/t16-,24+
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0.700n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in insect Sf9 membranes


Bioorg Med Chem Lett 22: 2738-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.098
BindingDB Entry DOI: 10.7270/Q2154J34
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50380915
PNG
(CHEMBL2016682)
Show SMILES CN([C@H]1CC[C@]2(CC1)OC(=O)c1ccncc21)C(=O)Nc1ccn(n1)-c1ccccc1F |r,wU:2.1,5.8,(-.8,-22.44,;-.84,-23.98,;-2.2,-24.72,;-2.2,-26.26,;-3.53,-27.02,;-4.86,-26.25,;-4.87,-24.71,;-3.53,-23.95,;-4.7,-27.78,;-6.11,-28.41,;-6.44,-29.92,;-7.14,-27.26,;-8.67,-27.26,;-9.44,-25.93,;-8.68,-24.6,;-7.14,-24.6,;-6.37,-25.93,;.47,-24.79,;.54,-26.33,;1.8,-24,;3.09,-24.85,;4.54,-24.3,;5.51,-25.51,;4.66,-26.8,;3.17,-26.39,;5.41,-28.14,;4.62,-29.46,;5.37,-30.81,;6.92,-30.83,;7.71,-29.5,;6.95,-28.16,;7.74,-26.83,)|
Show InChI InChI=1S/C23H22FN5O3/c1-28(22(31)26-20-9-13-29(27-20)19-5-3-2-4-18(19)24)15-6-10-23(11-7-15)17-14-25-12-8-16(17)21(30)32-23/h2-5,8-9,12-15H,6-7,10-11H2,1H3,(H,26,27,31)/t15-,23+
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0.800n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in insect Sf9 membranes


Bioorg Med Chem Lett 22: 2738-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.098
BindingDB Entry DOI: 10.7270/Q2154J34
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50314613
PNG
((S)-N-(4-(4,4-dimethylcyclohexyloxy)-5-fluoro-2-me...)
Show SMILES COc1cc(OC2CCC(C)(C)CC2)c(F)cc1CNC(=O)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C21H31FN2O3/c1-21(2)8-6-15(7-9-21)27-19-12-18(26-3)14(11-16(19)22)13-24-20(25)17-5-4-10-23-17/h11-12,15,17,23H,4-10,13H2,1-3H3,(H,24,25)/t17-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50304804
PNG
(7-(2-chlorophenoxy)-2-(piperazin-1-yl)-6,7-dihydro...)
Show SMILES Clc1ccccc1OC1CCc2ccc(nc12)N1CCNCC1
Show InChI InChI=1S/C18H20ClN3O/c19-14-3-1-2-4-15(14)23-16-7-5-13-6-8-17(21-18(13)16)22-11-9-20-10-12-22/h1-4,6,8,16,20H,5,7,9-12H2
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0.900n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity against human 5HT2C receptor by FLIPR assay relative to 5HT


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50380923
PNG
(CHEMBL2016740)
Show SMILES CN([C@H]1CC[C@@]2(CC1)OC(=O)c1ccncc21)C(=O)Nc1cnc(cn1)-c1ccccc1 |r,wU:5.8,wD:2.1,(11.79,-13.56,;11.79,-15.1,;10.46,-15.87,;9.13,-15.1,;7.8,-15.86,;7.79,-17.4,;9.12,-18.18,;10.46,-17.41,;7.87,-18.94,;6.42,-19.49,;6.02,-20.97,;5.45,-18.29,;3.92,-18.2,;3.22,-16.83,;4.06,-15.53,;5.61,-15.62,;6.3,-17,;13.13,-15.87,;13.13,-17.41,;14.46,-15.1,;15.79,-15.87,;17.11,-15.1,;18.45,-15.86,;18.45,-17.41,;17.12,-18.18,;15.79,-17.41,;19.78,-18.17,;19.78,-19.72,;21.11,-20.48,;22.45,-19.71,;22.44,-18.17,;21.11,-17.41,)|
Show InChI InChI=1S/C24H23N5O3/c1-29(23(31)28-21-15-26-20(14-27-21)16-5-3-2-4-6-16)17-7-10-24(11-8-17)19-13-25-12-9-18(19)22(30)32-24/h2-6,9,12-15,17H,7-8,10-11H2,1H3,(H,27,28,31)/t17-,24-
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0.900n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in insect Sf9 membranes


Bioorg Med Chem Lett 22: 2738-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.098
BindingDB Entry DOI: 10.7270/Q2154J34
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50304808
PNG
(4-chloro-2-(piperazin-1-yl)thieno[2,3-d]pyrimidine...)
Show SMILES Clc1nc(nc2sccc12)N1CCNCC1
Show InChI InChI=1S/C10H11ClN4S/c11-8-7-1-6-16-9(7)14-10(13-8)15-4-2-12-3-5-15/h1,6,12H,2-5H2
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1n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity against human 5HT2C receptor by FLIPR assay relative to 5HT


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50304805
PNG
((S)-7-(2-chlorophenoxy)-2-(piperazin-1-yl)-6,7-dih...)
Show SMILES Clc1ccccc1O[C@H]1CCc2ccc(nc12)N1CCNCC1 |r|
Show InChI InChI=1S/C18H20ClN3O/c19-14-3-1-2-4-15(14)23-16-7-5-13-6-8-17(21-18(13)16)22-11-9-20-10-12-22/h1-4,6,8,16,20H,5,7,9-12H2/t16-/m0/s1
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1n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from rat 5HT2A receptor expressed in mouse 3T3 cells


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50380922
PNG
(CHEMBL2016739)
Show SMILES CN([C@H]1CC[C@]2(CC1)OC(=O)c1ccncc21)C(=O)Nc1cnc(cn1)-c1ccccc1 |r,wU:2.1,5.8,(11.2,-3.59,;11.2,-5.13,;9.87,-5.9,;9.87,-7.44,;8.53,-8.21,;7.19,-7.43,;7.2,-5.9,;8.53,-5.13,;7.27,-8.97,;5.83,-9.52,;5.42,-11.01,;4.86,-8.32,;3.32,-8.23,;2.62,-6.86,;3.47,-5.56,;5.01,-5.65,;5.7,-7.03,;12.53,-5.9,;12.53,-7.44,;13.86,-5.13,;15.2,-5.9,;16.52,-5.13,;17.85,-5.89,;17.86,-7.44,;16.52,-8.21,;15.19,-7.44,;19.19,-8.21,;19.19,-9.75,;20.52,-10.51,;21.85,-9.74,;21.84,-8.2,;20.51,-7.44,)|
Show InChI InChI=1S/C24H23N5O3/c1-29(23(31)28-21-15-26-20(14-27-21)16-5-3-2-4-6-16)17-7-10-24(11-8-17)19-13-25-12-9-18(19)22(30)32-24/h2-6,9,12-15,17H,7-8,10-11H2,1H3,(H,27,28,31)/t17-,24+
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1n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in insect Sf9 membranes


Bioorg Med Chem Lett 22: 2738-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.098
BindingDB Entry DOI: 10.7270/Q2154J34
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50123737
PNG
(3-{2-[6-(2-tert-Butoxy-ethoxy)-pyridin-3-yl]-3H-im...)
Show SMILES CC(C)(C)OCCOc1ccc(cn1)-c1nc(c[nH]1)-c1cccc(c1)C#N
Show InChI InChI=1S/C21H22N4O2/c1-21(2,3)27-10-9-26-19-8-7-17(13-23-19)20-24-14-18(25-20)16-6-4-5-15(11-16)12-22/h4-8,11,13-14H,9-10H2,1-3H3,(H,24,25)
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1.20n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in insect Sf9 membranes


Bioorg Med Chem Lett 22: 2738-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.098
BindingDB Entry DOI: 10.7270/Q2154J34
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50304807
PNG
((S)-7-(5-fluoro-2-methylbenzyloxy)-2-((R)-2-methyl...)
Show SMILES C[C@@H]1CNCCN1c1ccc2CC[C@H](OCc3cc(F)ccc3C)c2n1 |r|
Show InChI InChI=1S/C21H26FN3O/c1-14-3-6-18(22)11-17(14)13-26-19-7-4-16-5-8-20(24-21(16)19)25-10-9-23-12-15(25)2/h3,5-6,8,11,15,19,23H,4,7,9-10,12-13H2,1-2H3/t15-,19+/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity against human 5HT2C receptor by FLIPR assay relative to 5HT


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50304802
PNG
((S)-8-(2-chlorophenoxy)-2-(piperazin-1-yl)-5,6,7,8...)
Show SMILES Clc1ccccc1O[C@H]1CCCc2ccc(nc12)N1CCNCC1 |r|
Show InChI InChI=1S/C19H22ClN3O/c20-15-5-1-2-6-16(15)24-17-7-3-4-14-8-9-18(22-19(14)17)23-12-10-21-11-13-23/h1-2,5-6,8-9,17,21H,3-4,7,10-13H2/t17-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity against human 5HT2C receptor by FLIPR assay relative to 5HT


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50304300
PNG
(CHEMBL595573 | trans-N-[1-(2-fluorophenyl)-3-pyraz...)
Show SMILES Fc1ccccc1-n1ccc(NC(=O)[C@H]2CC[C@@]3(CC2)OC(=O)c2ccncc32)n1 |r,wU:17.21,wD:14.14,(16.87,-28.98,;15.54,-29.75,;15.54,-31.28,;14.2,-32.06,;12.87,-31.29,;12.87,-29.75,;14.21,-28.98,;14.21,-27.45,;15.45,-26.55,;14.98,-25.08,;13.44,-25.08,;12.53,-23.84,;10.99,-23.84,;10.22,-22.5,;10.22,-25.17,;8.68,-25.17,;7.91,-26.5,;8.68,-27.83,;10.22,-27.83,;10.99,-26.5,;9.6,-29.09,;8.69,-30.34,;9.16,-31.81,;7.21,-29.86,;5.88,-30.63,;4.55,-29.86,;4.55,-28.32,;5.88,-27.55,;7.21,-28.31,;12.96,-26.54,)|
Show InChI InChI=1S/C22H19FN4O3/c23-17-3-1-2-4-18(17)27-12-8-19(26-27)25-20(28)14-5-9-22(10-6-14)16-13-24-11-7-15(16)21(29)30-22/h1-4,7-8,11-14H,5-6,9-10H2,(H,25,26,28)/t14-,22-
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1.60n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in insect Sf9 membranes


Bioorg Med Chem Lett 22: 2738-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.098
BindingDB Entry DOI: 10.7270/Q2154J34
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50314616
PNG
((S)-N-(4-(cyclohexylmethoxy)-5-fluoro-2-methoxyben...)
Show SMILES COc1cc(OCC2CCCCC2)c(F)cc1CNC(=O)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C20H29FN2O3/c1-25-18-11-19(26-13-14-6-3-2-4-7-14)16(21)10-15(18)12-23-20(24)17-8-5-9-22-17/h10-11,14,17,22H,2-9,12-13H2,1H3,(H,23,24)/t17-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50314614
PNG
((S)-N-(4-(4,4-dimethylcyclohexyloxy)-2,5-difluorob...)
Show SMILES CC1(C)CCC(CC1)Oc1cc(F)c(CNC(=O)[C@@H]2CCCN2)cc1F |r|
Show InChI InChI=1S/C20H28F2N2O2/c1-20(2)7-5-14(6-8-20)26-18-11-15(21)13(10-16(18)22)12-24-19(25)17-4-3-9-23-17/h10-11,14,17,23H,3-9,12H2,1-2H3,(H,24,25)/t17-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50304803
PNG
((R)-8-(2-chlorophenoxy)-2-(piperazin-1-yl)-5,6,7,8...)
Show SMILES Clc1ccccc1O[C@@H]1CCCc2ccc(nc12)N1CCNCC1 |r|
Show InChI InChI=1S/C19H22ClN3O/c20-15-5-1-2-6-16(15)24-17-7-3-4-14-8-9-18(22-19(14)17)23-12-10-21-11-13-23/h1-2,5-6,8-9,17,21H,3-4,7,10-13H2/t17-/m1/s1
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2n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from rat 5HT2A receptor expressed in mouse 3T3 cells


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50380920
PNG
(CHEMBL2016737)
Show SMILES CN([C@H]1CC[C@@]2(CC1)Cc1ccccc1C(=O)O2)C(=O)Nc1ccn(n1)-c1ccccc1F |r,wU:2.1,5.19,(1.18,-5.8,;1.14,-7.34,;-.21,-8.07,;-.22,-9.61,;-1.54,-10.37,;-2.87,-9.6,;-2.88,-8.07,;-1.54,-7.3,;-4.21,-8.83,;-5.53,-9.6,;-6.86,-8.83,;-8.2,-9.59,;-8.2,-11.14,;-6.87,-11.91,;-5.54,-11.15,;-4.2,-11.92,;-4.2,-13.46,;-2.86,-11.14,;2.46,-8.14,;2.52,-9.68,;3.79,-7.36,;5.07,-8.21,;6.52,-7.66,;7.48,-8.86,;6.64,-10.15,;5.15,-9.74,;7.39,-11.49,;6.6,-12.81,;7.35,-14.16,;8.89,-14.18,;9.68,-12.85,;8.92,-11.51,;9.71,-10.18,)|
Show InChI InChI=1S/C25H25FN4O3/c1-29(24(32)27-22-12-15-30(28-22)21-9-5-4-8-20(21)26)18-10-13-25(14-11-18)16-17-6-2-3-7-19(17)23(31)33-25/h2-9,12,15,18H,10-11,13-14,16H2,1H3,(H,27,28,32)/t18-,25+
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2.40n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in insect Sf9 membranes


Bioorg Med Chem Lett 22: 2738-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.098
BindingDB Entry DOI: 10.7270/Q2154J34
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50304827
PNG
((S)-7-(3-fluorophenoxy)-2-(piperazin-1-yl)-6,7-dih...)
Show SMILES Fc1cccc(O[C@H]2CCc3ccc(nc23)N2CCNCC2)c1 |r|
Show InChI InChI=1S/C18H20FN3O/c19-14-2-1-3-15(12-14)23-16-6-4-13-5-7-17(21-18(13)16)22-10-8-20-9-11-22/h1-3,5,7,12,16,20H,4,6,8-11H2/t16-/m0/s1
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3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT2C receptor expressed in mouse 3T3 cells by scintillation counting


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50304804
PNG
(7-(2-chlorophenoxy)-2-(piperazin-1-yl)-6,7-dihydro...)
Show SMILES Clc1ccccc1OC1CCc2ccc(nc12)N1CCNCC1
Show InChI InChI=1S/C18H20ClN3O/c19-14-3-1-2-4-15(14)23-16-7-5-13-6-8-17(21-18(13)16)22-11-9-20-10-12-22/h1-4,6,8,16,20H,5,7,9-12H2
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3.80n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from rat 5HT2A receptor expressed in mouse 3T3 cells


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50314618
PNG
(CHEMBL1090397 | N-((4'-chloro-3-fluorobiphenyl-4-y...)
Show SMILES Fc1cc(ccc1CNC(=O)N1CCNCC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H19ClFN3O/c19-16-5-3-13(4-6-16)14-1-2-15(17(20)11-14)12-22-18(24)23-9-7-21-8-10-23/h1-6,11,21H,7-10,12H2,(H,22,24)
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4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50304809
PNG
(4-(3-chlorobenzyloxy)-2-(piperazin-1-yl)thieno[2,3...)
Show SMILES Clc1cccc(COc2nc(nc3sccc23)N2CCNCC2)c1
Show InChI InChI=1S/C17H17ClN4OS/c18-13-3-1-2-12(10-13)11-23-15-14-4-9-24-16(14)21-17(20-15)22-7-5-19-6-8-22/h1-4,9-10,19H,5-8,11H2
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4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity against human 5HT2C receptor by FLIPR assay relative to 5HT


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50314623
PNG
((S)-N-(4-cyclohexylbenzyl)pyrrolidine-2-carboxamid...)
Show SMILES O=C(NCc1ccc(cc1)C1CCCCC1)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C18H26N2O/c21-18(17-7-4-12-19-17)20-13-14-8-10-16(11-9-14)15-5-2-1-3-6-15/h8-11,15,17,19H,1-7,12-13H2,(H,20,21)/t17-/m0/s1
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4.40n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50304807
PNG
((S)-7-(5-fluoro-2-methylbenzyloxy)-2-((R)-2-methyl...)
Show SMILES C[C@@H]1CNCCN1c1ccc2CC[C@H](OCc3cc(F)ccc3C)c2n1 |r|
Show InChI InChI=1S/C21H26FN3O/c1-14-3-6-18(22)11-17(14)13-26-19-7-4-16-5-8-20(24-21(16)19)25-10-9-23-12-15(25)2/h3,5-6,8,11,15,19,23H,4,7,9-10,12-13H2,1-2H3/t15-,19+/m1/s1
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4.40n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from rat 5HT2A receptor expressed in mouse 3T3 cells


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50380925
PNG
(CHEMBL2016742)
Show SMILES CN([C@H]1CC[C@@]2(CC1)Cc1ccccc1C(=O)O2)C(=O)Nc1cnc(cn1)-c1ccccc1 |r,wU:2.1,5.19,(28.87,3.24,;28.83,1.7,;27.47,.96,;27.47,-.58,;26.14,-1.34,;24.81,-.57,;24.8,.97,;26.14,1.73,;23.47,.2,;22.15,-.57,;20.82,.2,;19.48,-.56,;19.48,-2.11,;20.81,-2.87,;22.14,-2.11,;23.48,-2.88,;23.48,-4.42,;24.82,-2.11,;30.14,.89,;30.21,-.65,;31.47,1.68,;32.81,.92,;34.14,1.69,;35.47,.92,;35.48,-.62,;34.14,-1.4,;32.81,-.62,;36.81,-1.39,;36.81,-2.94,;38.15,-3.71,;39.48,-2.93,;39.47,-1.38,;38.14,-.62,)|
Show InChI InChI=1S/C26H26N4O3/c1-30(25(32)29-23-17-27-22(16-28-23)18-7-3-2-4-8-18)20-11-13-26(14-12-20)15-19-9-5-6-10-21(19)24(31)33-26/h2-10,16-17,20H,11-15H2,1H3,(H,28,29,32)/t20-,26+
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4.60n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in insect Sf9 membranes


Bioorg Med Chem Lett 22: 2738-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.098
BindingDB Entry DOI: 10.7270/Q2154J34
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50380914
PNG
(S-2367 | VELNEPERIT)
Show SMILES CC(C)(C)S(=O)(=O)N[C@H]1CC[C@@H](CC1)C(=O)Nc1ccc(cn1)C(F)(F)F |r,wU:8.7,wD:11.14,(16.68,6.49,;16.68,4.95,;15.35,4.18,;15.34,5.72,;18.02,4.19,;19.1,5.29,;19.5,3.8,;18.02,2.65,;19.36,1.88,;20.69,2.66,;22.02,1.88,;22.02,.34,;20.69,-.42,;19.36,.34,;23.35,-.43,;23.35,-1.97,;24.68,.34,;26.02,-.43,;26.01,-1.97,;27.34,-2.74,;28.68,-1.97,;28.67,-.43,;27.34,.34,;30.01,-2.74,;30.01,-4.28,;31.34,-1.97,;31.34,-3.51,)|
Show InChI InChI=1S/C17H24F3N3O3S/c1-16(2,3)27(25,26)23-13-7-4-11(5-8-13)15(24)22-14-9-6-12(10-21-14)17(18,19)20/h6,9-11,13,23H,4-5,7-8H2,1-3H3,(H,21,22,24)/t11-,13-
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5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in insect Sf9 membranes


Bioorg Med Chem Lett 22: 2738-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.098
BindingDB Entry DOI: 10.7270/Q2154J34
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50304801
PNG
((S)-7-(2,5-difluorobenzyloxy)-2-((R)-2-methylpiper...)
Show SMILES C[C@@H]1CNCCN1c1ccc2CC[C@H](OCc3cc(F)ccc3F)c2n1 |r|
Show InChI InChI=1S/C20H23F2N3O/c1-13-11-23-8-9-25(13)19-7-3-14-2-6-18(20(14)24-19)26-12-15-10-16(21)4-5-17(15)22/h3-5,7,10,13,18,23H,2,6,8-9,11-12H2,1H3/t13-,18+/m1/s1
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7n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity against human 5HT2C receptor by FLIPR assay relative to 5HT


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50304807
PNG
((S)-7-(5-fluoro-2-methylbenzyloxy)-2-((R)-2-methyl...)
Show SMILES C[C@@H]1CNCCN1c1ccc2CC[C@H](OCc3cc(F)ccc3C)c2n1 |r|
Show InChI InChI=1S/C21H26FN3O/c1-14-3-6-18(22)11-17(14)13-26-19-7-4-16-5-8-20(24-21(16)19)25-10-9-23-12-15(25)2/h3,5-6,8,11,15,19,23H,4,7,9-10,12-13H2,1-2H3/t15-,19+/m1/s1
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7.70n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human 5HT2B receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50380919
PNG
(CHEMBL2016736)
Show SMILES CN([C@H]1CC[C@@]2(COc3ccccc23)CC1)C(=O)Nc1ccn(n1)-c1ccccc1F |r,wU:2.1,5.5,(26.05,3.87,;26.01,2.33,;24.66,1.59,;24.65,.06,;23.33,-.71,;21.99,.06,;22.15,-1.47,;20.74,-2.1,;19.72,-.95,;18.18,-.95,;17.41,.38,;18.18,1.71,;19.72,1.72,;20.49,.38,;21.99,1.6,;23.33,2.37,;27.33,1.53,;27.4,-.02,;28.66,2.31,;29.95,1.46,;31.4,2.01,;32.36,.81,;31.52,-.48,;30.03,-.08,;32.27,-1.83,;31.48,-3.15,;32.23,-4.5,;33.77,-4.52,;34.56,-3.19,;33.81,-1.85,;34.59,-.52,)|
Show InChI InChI=1S/C24H25FN4O2/c1-28(17-10-13-24(14-11-17)16-31-21-9-5-2-6-18(21)24)23(30)26-22-12-15-29(27-22)20-8-4-3-7-19(20)25/h2-9,12,15,17H,10-11,13-14,16H2,1H3,(H,26,27,30)/t17-,24-
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8n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in insect Sf9 membranes


Bioorg Med Chem Lett 22: 2738-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.098
BindingDB Entry DOI: 10.7270/Q2154J34
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50314624
PNG
((S)-N-((3',5'-dichlorobiphenyl-4-yl)methyl)pyrroli...)
Show SMILES Clc1cc(Cl)cc(c1)-c1ccc(CNC(=O)[C@@H]2CCCN2)cc1 |r|
Show InChI InChI=1S/C18H18Cl2N2O/c19-15-8-14(9-16(20)10-15)13-5-3-12(4-6-13)11-22-18(23)17-2-1-7-21-17/h3-6,8-10,17,21H,1-2,7,11H2,(H,22,23)/t17-/m0/s1
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8n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50380918
PNG
(CHEMBL2016735)
Show SMILES CN([C@H]1CC[C@]2(CC1)OCc1ccccc21)C(=O)Nc1ccn(n1)-c1ccccc1F |r,wU:2.1,5.8,(2.04,3.76,;2,2.21,;.65,1.48,;.64,-.06,;-.69,-.83,;-2.02,-.05,;-2.02,1.48,;-.69,2.25,;-1.86,-1.59,;-3.27,-2.21,;-4.29,-1.07,;-5.83,-1.06,;-6.6,.26,;-5.84,1.59,;-4.29,1.6,;-3.52,.27,;3.32,1.41,;3.39,-.13,;4.65,2.19,;5.94,1.34,;7.39,1.89,;8.35,.69,;7.5,-.6,;6.02,-.19,;8.26,-1.95,;7.46,-3.27,;8.22,-4.62,;9.76,-4.64,;10.55,-3.3,;9.79,-1.96,;10.58,-.64,)|
Show InChI InChI=1S/C24H25FN4O2/c1-28(18-10-13-24(14-11-18)19-7-3-2-6-17(19)16-31-24)23(30)26-22-12-15-29(27-22)21-9-5-4-8-20(21)25/h2-9,12,15,18H,10-11,13-14,16H2,1H3,(H,26,27,30)/t18-,24+
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10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in insect Sf9 membranes


Bioorg Med Chem Lett 22: 2738-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.098
BindingDB Entry DOI: 10.7270/Q2154J34
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50304803
PNG
((R)-8-(2-chlorophenoxy)-2-(piperazin-1-yl)-5,6,7,8...)
Show SMILES Clc1ccccc1O[C@@H]1CCCc2ccc(nc12)N1CCNCC1 |r|
Show InChI InChI=1S/C19H22ClN3O/c20-15-5-1-2-6-16(15)24-17-7-3-4-14-8-9-18(22-19(14)17)23-12-10-21-11-13-23/h1-2,5-6,8-9,17,21H,3-4,7,10-13H2/t17-/m1/s1
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10n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity against human 5HT2C receptor by FLIPR assay relative to 5HT


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50380926
PNG
(CHEMBL2016743)
Show SMILES CCN([C@H]1CC[C@@]2(CC1)Cc1ccccc1C(=O)O2)C(=O)Nc1cnc(cn1)-c1ccccc1 |r,wU:3.2,6.20,(-.27,-8.96,;1.04,-9.76,;1,-11.3,;-.35,-12.04,;-.36,-13.58,;-1.68,-14.34,;-3.01,-13.57,;-3.02,-12.03,;-1.68,-11.27,;-4.35,-12.8,;-5.67,-13.57,;-7,-12.8,;-8.34,-13.56,;-8.34,-15.11,;-7.01,-15.88,;-5.68,-15.11,;-4.34,-15.88,;-4.34,-17.42,;-3,-15.11,;2.32,-12.11,;2.39,-13.65,;3.65,-11.33,;4.99,-12.08,;6.32,-11.31,;7.65,-12.08,;7.65,-13.62,;6.32,-14.4,;4.98,-13.63,;8.99,-14.39,;8.99,-15.94,;10.32,-16.71,;11.66,-15.93,;11.65,-14.38,;10.32,-13.62,)|
Show InChI InChI=1S/C27H28N4O3/c1-2-31(26(33)30-24-18-28-23(17-29-24)19-8-4-3-5-9-19)21-12-14-27(15-13-21)16-20-10-6-7-11-22(20)25(32)34-27/h3-11,17-18,21H,2,12-16H2,1H3,(H,29,30,33)/t21-,27+
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11n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in insect Sf9 membranes


Bioorg Med Chem Lett 22: 2738-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.098
BindingDB Entry DOI: 10.7270/Q2154J34
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50314613
PNG
((S)-N-(4-(4,4-dimethylcyclohexyloxy)-5-fluoro-2-me...)
Show SMILES COc1cc(OC2CCC(C)(C)CC2)c(F)cc1CNC(=O)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C21H31FN2O3/c1-21(2)8-6-15(7-9-21)27-19-12-18(26-3)14(11-16(19)22)13-24-20(25)17-5-4-10-23-17/h11-12,15,17,23H,4-10,13H2,1-3H3,(H,24,25)/t17-/m0/s1
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12.8n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50314614
PNG
((S)-N-(4-(4,4-dimethylcyclohexyloxy)-2,5-difluorob...)
Show SMILES CC1(C)CCC(CC1)Oc1cc(F)c(CNC(=O)[C@@H]2CCCN2)cc1F |r|
Show InChI InChI=1S/C20H28F2N2O2/c1-20(2)7-5-14(6-8-20)26-18-11-15(21)13(10-16(18)22)12-24-19(25)17-4-3-9-23-17/h10-11,14,17,23H,3-9,12H2,1-2H3,(H,24,25)/t17-/m0/s1
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13.7n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50016970
PNG
(4-Piperazin-1-yl-thieno[3,2-c]pyridine; hydrochlor...)
Show SMILES C1CN(CCN1)c1nccc2sccc12
Show InChI InChI=1S/C11H13N3S/c1-3-13-11(9-2-8-15-10(1)9)14-6-4-12-5-7-14/h1-3,8,12H,4-7H2
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14n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity against human 5HT2C receptor by FLIPR assay relative to 5HT


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50304800
PNG
((S)-7-(2,5-difluorobenzyloxy)-2-(piperazin-1-yl)-6...)
Show SMILES Fc1ccc(F)c(CO[C@H]2CCc3ccc(nc23)N2CCNCC2)c1 |r|
Show InChI InChI=1S/C19H21F2N3O/c20-15-3-4-16(21)14(11-15)12-25-17-5-1-13-2-6-18(23-19(13)17)24-9-7-22-8-10-24/h2-4,6,11,17,22H,1,5,7-10,12H2/t17-/m0/s1
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15n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from rat 5HT2A receptor expressed in mouse 3T3 cells


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50304801
PNG
((S)-7-(2,5-difluorobenzyloxy)-2-((R)-2-methylpiper...)
Show SMILES C[C@@H]1CNCCN1c1ccc2CC[C@H](OCc3cc(F)ccc3F)c2n1 |r|
Show InChI InChI=1S/C20H23F2N3O/c1-13-11-23-8-9-25(13)19-7-3-14-2-6-18(20(14)24-19)26-12-15-10-16(21)4-5-17(15)22/h3-5,7,10,13,18,23H,2,6,8-9,11-12H2,1H3/t13-,18+/m1/s1
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16n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from rat 5HT2A receptor expressed in mouse 3T3 cells


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50304806
PNG
((R)-7-(2-chlorophenoxy)-2-(piperazin-1-yl)-6,7-dih...)
Show SMILES Clc1ccccc1O[C@@H]1CCc2ccc(nc12)N1CCNCC1 |r|
Show InChI InChI=1S/C18H20ClN3O/c19-14-3-1-2-4-15(14)23-16-7-5-13-6-8-17(21-18(13)16)22-11-9-20-10-12-22/h1-4,6,8,16,20H,5,7,9-12H2/t16-/m1/s1
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20n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity against human 5HT2C receptor by FLIPR assay relative to 5HT


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50314626
PNG
((S)-N-(4-(benzyloxy)benzyl)pyrrolidine-2-carboxami...)
Show SMILES O=C(NCc1ccc(OCc2ccccc2)cc1)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C19H22N2O2/c22-19(18-7-4-12-20-18)21-13-15-8-10-17(11-9-15)23-14-16-5-2-1-3-6-16/h1-3,5-6,8-11,18,20H,4,7,12-14H2,(H,21,22)/t18-/m0/s1
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20n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50304820
PNG
(2-(piperazin-1-yl)-5,6,7,8-tetrahydroquinoline | C...)
Show SMILES C1CCc2nc(ccc2C1)N1CCNCC1
Show InChI InChI=1S/C13H19N3/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16/h5-6,14H,1-4,7-10H2
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21n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from rat 5HT2A receptor expressed in mouse 3T3 cells


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50016972
PNG
(4-Piperazin-1-yl-furo[3,2-c]pyridine; hydrochlorid...)
Show SMILES C1CN(CCN1)c1nccc2occc12
Show InChI InChI=1S/C11H13N3O/c1-3-13-11(9-2-8-15-10(1)9)14-6-4-12-5-7-14/h1-3,8,12H,4-7H2
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22n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity against human 5HT2C receptor by FLIPR assay relative to 5HT


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50380916
PNG
(CHEMBL2016733)
Show SMILES CN([C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21)C(=O)Nc1ccn(n1)-c1ccccc1F |r,wU:5.8,wD:2.1,(.28,-35.19,;.24,-36.74,;-1.11,-37.47,;-2.45,-36.7,;-3.79,-37.47,;-3.78,-39.01,;-2.45,-39.78,;-1.12,-39.01,;-3.62,-40.54,;-5.03,-41.16,;-5.35,-42.67,;-6.06,-40.02,;-7.59,-40.01,;-8.36,-38.69,;-7.6,-37.36,;-6.05,-37.35,;-5.28,-38.69,;1.56,-37.54,;1.62,-39.08,;2.89,-36.76,;4.18,-37.61,;5.63,-37.06,;6.59,-38.26,;5.74,-39.55,;4.25,-39.14,;6.5,-40.9,;5.7,-42.22,;6.45,-43.57,;8,-43.59,;8.79,-42.26,;8.03,-40.91,;8.82,-39.59,)|
Show InChI InChI=1S/C24H23FN4O3/c1-28(23(31)26-21-12-15-29(27-21)20-9-5-4-8-19(20)25)16-10-13-24(14-11-16)18-7-3-2-6-17(18)22(30)32-24/h2-9,12,15-16H,10-11,13-14H2,1H3,(H,26,27,31)/t16-,24-
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22n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in insect Sf9 membranes


Bioorg Med Chem Lett 22: 2738-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.098
BindingDB Entry DOI: 10.7270/Q2154J34
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50304812
PNG
(4-methoxy-2-(piperazin-1-yl)-5,6,7,8-tetrahydroqui...)
Show SMILES COc1nc(nc2CCCCc12)N1CCNCC1
Show InChI InChI=1S/C13H20N4O/c1-18-12-10-4-2-3-5-11(10)15-13(16-12)17-8-6-14-7-9-17/h14H,2-9H2,1H3
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23n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity against human 5HT2C receptor by FLIPR assay relative to 5HT


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50314625
PNG
((S)-N-(4-(3-fluorophenoxy)benzyl)pyrrolidine-2-car...)
Show SMILES Fc1cccc(Oc2ccc(CNC(=O)[C@@H]3CCCN3)cc2)c1 |r|
Show InChI InChI=1S/C18H19FN2O2/c19-14-3-1-4-16(11-14)23-15-8-6-13(7-9-15)12-21-18(22)17-5-2-10-20-17/h1,3-4,6-9,11,17,20H,2,5,10,12H2,(H,21,22)/t17-/m0/s1
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23n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50314615
PNG
((S)-N-(3,5-difluoro-4-((1s,4s)-4-methylcyclohexylo...)
Show SMILES C[C@H]1CC[C@H](CC1)Oc1c(F)cc(CNC(=O)[C@@H]2CCCN2)cc1F |r,wU:17.17,wD:4.7,1.0,(-10.94,-38.56,;-9.61,-39.33,;-9.61,-40.88,;-8.28,-41.66,;-6.95,-40.88,;-6.94,-39.34,;-8.27,-38.57,;-5.62,-41.65,;-4.28,-40.88,;-4.28,-39.34,;-5.61,-38.57,;-2.95,-38.57,;-1.62,-39.33,;-.29,-38.56,;1.05,-39.32,;2.38,-38.55,;2.38,-37.01,;3.72,-39.31,;3.68,-40.85,;5.13,-41.37,;6.07,-40.15,;5.2,-38.88,;-1.61,-40.88,;-2.95,-41.66,;-2.95,-43.2,)|
Show InChI InChI=1S/C19H26F2N2O2/c1-12-4-6-14(7-5-12)25-18-15(20)9-13(10-16(18)21)11-23-19(24)17-3-2-8-22-17/h9-10,12,14,17,22H,2-8,11H2,1H3,(H,23,24)/t12-,14+,17-/m0/s1
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25n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50304800
PNG
((S)-7-(2,5-difluorobenzyloxy)-2-(piperazin-1-yl)-6...)
Show SMILES Fc1ccc(F)c(CO[C@H]2CCc3ccc(nc23)N2CCNCC2)c1 |r|
Show InChI InChI=1S/C19H21F2N3O/c20-15-3-4-16(21)14(11-15)12-25-17-5-1-13-2-6-18(23-19(13)17)24-9-7-22-8-10-24/h2-4,6,11,17,22H,1,5,7-10,12H2/t17-/m0/s1
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25n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity against human 5HT2C receptor by FLIPR assay relative to 5HT


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50304818
PNG
(4-(3-chlorobenzyloxy)-2-(piperazin-1-yl)thieno[3,2...)
Show SMILES Clc1cccc(COc2nc(nc3ccsc23)N2CCNCC2)c1
Show InChI InChI=1S/C17H17ClN4OS/c18-13-3-1-2-12(10-13)11-23-16-15-14(4-9-24-15)20-17(21-16)22-7-5-19-6-8-22/h1-4,9-10,19H,5-8,11H2
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28n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity against human 5HT2C receptor by FLIPR assay relative to 5HT


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50304806
PNG
((R)-7-(2-chlorophenoxy)-2-(piperazin-1-yl)-6,7-dih...)
Show SMILES Clc1ccccc1O[C@@H]1CCc2ccc(nc12)N1CCNCC1 |r|
Show InChI InChI=1S/C18H20ClN3O/c19-14-3-1-2-4-15(14)23-16-7-5-13-6-8-17(21-18(13)16)22-11-9-20-10-12-22/h1-4,6,8,16,20H,5,7,9-12H2/t16-/m1/s1
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41n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from rat 5HT2A receptor expressed in mouse 3T3 cells


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
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