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Compile Data Set for Download or QSAR

Found 45 hits Enz. Inhib. hit(s) with all data for entry = 50030824   
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))
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))
BDBM50302145
PNG
((R)-2-(2-(2-chlorophenoxy)ethyl)-6-(2-methylpipera...)
Show SMILES C[C@@H]1CNCCN1c1ccc(=O)n(CCOc2ccccc2Cl)n1 |r|
Show InChI InChI=1S/C17H21ClN4O2/c1-13-12-19-8-9-21(13)16-6-7-17(23)22(20-16)10-11-24-15-5-3-2-4-14(15)18/h2-7,13,19H,8-12H2,1H3/t13-/m1/s1
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325n/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))
BDBM50302160
PNG
(6-(piperazin-1-yl)-2-(2-(2-(trifluoromethyl)phenox...)
Show SMILES FC(F)(F)c1ccccc1OCCn1nc(ccc1=O)N1CCNCC1
Show InChI InChI=1S/C17H19F3N4O2/c18-17(19,20)13-3-1-2-4-14(13)26-12-11-24-16(25)6-5-15(22-24)23-9-7-21-8-10-23/h1-6,21H,7-12H2
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424n/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))
BDBM50302151
PNG
((S)-2-(1-(2-chlorophenoxy)propan-2-yl)-6-(piperazi...)
Show SMILES C[C@@H](COc1ccccc1Cl)n1nc(ccc1=O)N1CCNCC1 |r|
Show InChI InChI=1S/C17H21ClN4O2/c1-13(12-24-15-5-3-2-4-14(15)18)22-17(23)7-6-16(20-22)21-10-8-19-9-11-21/h2-7,13,19H,8-12H2,1H3/t13-/m0/s1
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728n/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))
BDBM50302141
PNG
(2-(2-(2-chlorophenoxy)ethyl)-6-(piperazin-1-yl)pyr...)
Show SMILES Clc1ccccc1OCCn1nc(ccc1=O)N1CCNCC1
Show InChI InChI=1S/C16H19ClN4O2/c17-13-3-1-2-4-14(13)23-12-11-21-16(22)6-5-15(19-21)20-9-7-18-8-10-20/h1-6,18H,7-12H2
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1.60E+3n/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
Potassium voltage-gated channel subfamily H member 2


(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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n/an/a 3.70E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


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))
BDBM50302142
PNG
(2-(2-(2-chlorophenoxy)ethyl)-4-methyl-6-(piperazin...)
Show SMILES Cc1cc(nn(CCOc2ccccc2Cl)c1=O)N1CCNCC1
Show InChI InChI=1S/C17H21ClN4O2/c1-13-12-16(21-8-6-19-7-9-21)20-22(17(13)23)10-11-24-15-5-3-2-4-14(15)18/h2-5,12,19H,6-11H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHOK1 cells assessed as induction of calcium mobilization by FLIPR assay


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))
BDBM50302143
PNG
(2-(2-(2-chlorophenoxy)ethyl)-4-(piperazin-1-yl)-2,...)
Show SMILES Clc1ccccc1OCCn1nc(N2CCNCC2)c2CCCc2c1=O
Show InChI InChI=1S/C19H23ClN4O2/c20-16-6-1-2-7-17(16)26-13-12-24-19(25)15-5-3-4-14(15)18(22-24)23-10-8-21-9-11-23/h1-2,6-7,21H,3-5,8-13H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHOK1 cells assessed as induction of calcium mobilization by FLIPR assay


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))
BDBM50302144
PNG
(2-(2-(2-chlorophenoxy)ethyl)-5-methyl-6-(piperazin...)
Show SMILES Cc1cc(=O)n(CCOc2ccccc2Cl)nc1N1CCNCC1
Show InChI InChI=1S/C17H21ClN4O2/c1-13-12-16(23)22(20-17(13)21-8-6-19-7-9-21)10-11-24-15-5-3-2-4-14(15)18/h2-5,12,19H,6-11H2,1H3
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n/an/an/an/a 510n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHOK1 cells assessed as induction of calcium mobilization by FLIPR assay


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))
BDBM50302145
PNG
((R)-2-(2-(2-chlorophenoxy)ethyl)-6-(2-methylpipera...)
Show SMILES C[C@@H]1CNCCN1c1ccc(=O)n(CCOc2ccccc2Cl)n1 |r|
Show InChI InChI=1S/C17H21ClN4O2/c1-13-12-19-8-9-21(13)16-6-7-17(23)22(20-16)10-11-24-15-5-3-2-4-14(15)18/h2-7,13,19H,8-12H2,1H3/t13-/m1/s1
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n/an/an/an/a 25n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHOK1 cells assessed as induction of calcium mobilization by FLIPR assay


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))
BDBM50302146
PNG
((S)-2-(2-(2-chlorophenoxy)ethyl)-6-(2-methylpipera...)
Show SMILES C[C@H]1CNCCN1c1ccc(=O)n(CCOc2ccccc2Cl)n1 |r|
Show InChI InChI=1S/C17H21ClN4O2/c1-13-12-19-8-9-21(13)16-6-7-17(23)22(20-16)10-11-24-15-5-3-2-4-14(15)18/h2-7,13,19H,8-12H2,1H3/t13-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHOK1 cells assessed as induction of calcium mobilization by FLIPR assay


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))
BDBM50302147
PNG
((R)-2-(2-(2-chlorophenoxy)ethyl)-6-(2-ethylpiperaz...)
Show SMILES CC[C@@H]1CNCCN1c1ccc(=O)n(CCOc2ccccc2Cl)n1 |r|
Show InChI InChI=1S/C18H23ClN4O2/c1-2-14-13-20-9-10-22(14)17-7-8-18(24)23(21-17)11-12-25-16-6-4-3-5-15(16)19/h3-8,14,20H,2,9-13H2,1H3/t14-/m1/s1
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n/an/an/an/a 407n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHOK1 cells assessed as induction of calcium mobilization by FLIPR assay


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))
BDBM50302148
PNG
(1-(1-(2-(2-chlorophenoxy)ethyl)-6-oxo-1,6-dihydrop...)
Show SMILES Clc1ccccc1OCCn1nc(ccc1=O)N1CCNCC1C=O
Show InChI InChI=1S/C17H19ClN4O3/c18-14-3-1-2-4-15(14)25-10-9-22-17(24)6-5-16(20-22)21-8-7-19-11-13(21)12-23/h1-6,12-13,19H,7-11H2
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n/an/an/an/a>9.98E+3n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHOK1 cells assessed as induction of calcium mobilization by FLIPR assay


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))
BDBM50302149
PNG
((S)-2-(2-(2-chlorophenoxy)ethyl)-6-(3-methylpipera...)
Show SMILES C[C@H]1CN(CCN1)c1ccc(=O)n(CCOc2ccccc2Cl)n1 |r|
Show InChI InChI=1S/C17H21ClN4O2/c1-13-12-21(9-8-19-13)16-6-7-17(23)22(20-16)10-11-24-15-5-3-2-4-14(15)18/h2-7,13,19H,8-12H2,1H3/t13-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHOK1 cells assessed as induction of calcium mobilization by FLIPR assay


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))
BDBM50302150
PNG
((R)-2-(1-(2-chlorophenoxy)propan-2-yl)-6-(piperazi...)
Show SMILES C[C@H](COc1ccccc1Cl)n1nc(ccc1=O)N1CCNCC1 |r|
Show InChI InChI=1S/C17H21ClN4O2/c1-13(12-24-15-5-3-2-4-14(15)18)22-17(23)7-6-16(20-22)21-10-8-19-9-11-21/h2-7,13,19H,8-12H2,1H3/t13-/m1/s1
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n/an/an/an/a>1.92E+3n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHOK1 cells assessed as induction of calcium mobilization by FLIPR assay


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))
BDBM50302151
PNG
((S)-2-(1-(2-chlorophenoxy)propan-2-yl)-6-(piperazi...)
Show SMILES C[C@@H](COc1ccccc1Cl)n1nc(ccc1=O)N1CCNCC1 |r|
Show InChI InChI=1S/C17H21ClN4O2/c1-13(12-24-15-5-3-2-4-14(15)18)22-17(23)7-6-16(20-22)21-10-8-19-9-11-21/h2-7,13,19H,8-12H2,1H3/t13-/m0/s1
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n/an/an/an/a 25n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHOK1 cells assessed as induction of calcium mobilization by FLIPR assay


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))
BDBM50302152
PNG
((R)-2-(2-(2-chlorophenoxy)propyl)-6-(piperazin-1-y...)
Show SMILES C[C@H](Cn1nc(ccc1=O)N1CCNCC1)Oc1ccccc1Cl |r|
Show InChI InChI=1S/C17H21ClN4O2/c1-13(24-15-5-3-2-4-14(15)18)12-22-17(23)7-6-16(20-22)21-10-8-19-9-11-21/h2-7,13,19H,8-12H2,1H3/t13-/m1/s1
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n/an/an/an/a 858n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHOK1 cells assessed as induction of calcium mobilization by FLIPR assay


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))
BDBM50302153
PNG
((S)-2-(2-(2-chlorophenoxy)propyl)-6-(piperazin-1-y...)
Show SMILES C[C@@H](Cn1nc(ccc1=O)N1CCNCC1)Oc1ccccc1Cl |r|
Show InChI InChI=1S/C17H21ClN4O2/c1-13(24-15-5-3-2-4-14(15)18)12-22-17(23)7-6-16(20-22)21-10-8-19-9-11-21/h2-7,13,19H,8-12H2,1H3/t13-/m0/s1
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n/an/an/an/a 360n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHOK1 cells assessed as induction of calcium mobilization by FLIPR assay


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))
BDBM50302154
PNG
(2-(2-(4-chlorophenoxy)ethyl)-6-(piperazin-1-yl)pyr...)
Show SMILES Clc1ccc(OCCn2nc(ccc2=O)N2CCNCC2)cc1
Show InChI InChI=1S/C16H19ClN4O2/c17-13-1-3-14(4-2-13)23-12-11-21-16(22)6-5-15(19-21)20-9-7-18-8-10-20/h1-6,18H,7-12H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHOK1 cells assessed as induction of calcium mobilization by FLIPR assay


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))
BDBM50302155
PNG
(2-(2-(3-chlorophenoxy)ethyl)-6-(piperazin-1-yl)pyr...)
Show SMILES Clc1cccc(OCCn2nc(ccc2=O)N2CCNCC2)c1
Show InChI InChI=1S/C16H19ClN4O2/c17-13-2-1-3-14(12-13)23-11-10-21-16(22)5-4-15(19-21)20-8-6-18-7-9-20/h1-5,12,18H,6-11H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHOK1 cells assessed as induction of calcium mobilization by FLIPR assay


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))
BDBM50302156
PNG
(2-(2-phenoxyethyl)-6-(piperazin-1-yl)pyridazin-3(2...)
Show SMILES O=c1ccc(nn1CCOc1ccccc1)N1CCNCC1
Show InChI InChI=1S/C16H20N4O2/c21-16-7-6-15(19-10-8-17-9-11-19)18-20(16)12-13-22-14-4-2-1-3-5-14/h1-7,17H,8-13H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHOK1 cells assessed as induction of calcium mobilization by FLIPR assay


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))
BDBM50302157
PNG
(2-(2-(2,3-dichlorophenoxy)ethyl)-6-(piperazin-1-yl...)
Show SMILES Clc1cccc(OCCn2nc(ccc2=O)N2CCNCC2)c1Cl
Show InChI InChI=1S/C16H18Cl2N4O2/c17-12-2-1-3-13(16(12)18)24-11-10-22-15(23)5-4-14(20-22)21-8-6-19-7-9-21/h1-5,19H,6-11H2
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n/an/an/an/a>2.13E+3n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHOK1 cells assessed as induction of calcium mobilization by FLIPR assay


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))
BDBM50302158
PNG
(2-(2-(6-oxo-3-(piperazin-1-yl)pyridazin-1(6H)-yl)e...)
Show SMILES O=c1ccc(nn1CCOc1ccccc1C#N)N1CCNCC1
Show InChI InChI=1S/C17H19N5O2/c18-13-14-3-1-2-4-15(14)24-12-11-22-17(23)6-5-16(20-22)21-9-7-19-8-10-21/h1-6,19H,7-12H2
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n/an/an/an/a 114n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHOK1 cells assessed as induction of calcium mobilization by FLIPR assay


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))
BDBM50302159
PNG
(6-(piperazin-1-yl)-2-(2-(o-tolyloxy)ethyl)pyridazi...)
Show SMILES Cc1ccccc1OCCn1nc(ccc1=O)N1CCNCC1
Show InChI InChI=1S/C17H22N4O2/c1-14-4-2-3-5-15(14)23-13-12-21-17(22)7-6-16(19-21)20-10-8-18-9-11-20/h2-7,18H,8-13H2,1H3
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n/an/an/an/a>4.55E+3n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHOK1 cells assessed as induction of calcium mobilization by FLIPR assay


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))
BDBM50302160
PNG
(6-(piperazin-1-yl)-2-(2-(2-(trifluoromethyl)phenox...)
Show SMILES FC(F)(F)c1ccccc1OCCn1nc(ccc1=O)N1CCNCC1
Show InChI InChI=1S/C17H19F3N4O2/c18-17(19,20)13-3-1-2-4-14(13)26-12-11-24-16(25)6-5-15(22-24)23-9-7-21-8-10-23/h1-6,21H,7-12H2
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n/an/an/an/a 47n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHOK1 cells assessed as induction of calcium mobilization by FLIPR assay


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))
BDBM50302161
PNG
(2-(2-(2-methoxyphenoxy)ethyl)-6-(piperazin-1-yl)py...)
Show SMILES COc1ccccc1OCCn1nc(ccc1=O)N1CCNCC1
Show InChI InChI=1S/C17H22N4O3/c1-23-14-4-2-3-5-15(14)24-13-12-21-17(22)7-6-16(19-21)20-10-8-18-9-11-20/h2-7,18H,8-13H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHOK1 cells assessed as induction of calcium mobilization by FLIPR assay


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))
BDBM50302162
PNG
(2-(2-(2-bromophenoxy)ethyl)-6-(piperazin-1-yl)pyri...)
Show SMILES Brc1ccccc1OCCn1nc(ccc1=O)N1CCNCC1
Show InChI InChI=1S/C16H19BrN4O2/c17-13-3-1-2-4-14(13)23-12-11-21-16(22)6-5-15(19-21)20-9-7-18-8-10-20/h1-6,18H,7-12H2
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n/an/an/an/a 101n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHOK1 cells assessed as induction of calcium mobilization by FLIPR assay


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))
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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n/an/an/an/a 11n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHOK1 cells assessed as induction of calcium mobilization by FLIPR assay


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 2A


(Homo sapiens (Human))
BDBM50302141
PNG
(2-(2-(2-chlorophenoxy)ethyl)-6-(piperazin-1-yl)pyr...)
Show SMILES Clc1ccccc1OCCn1nc(ccc1=O)N1CCNCC1
Show InChI InChI=1S/C16H19ClN4O2/c17-13-3-1-2-4-14(13)23-12-11-21-16(22)6-5-15(19-21)20-9-7-18-8-10-20/h1-6,18H,7-12H2
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n/an/an/an/a 254n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2A receptor expressed in Swiss mouse 3T3 cells assessed as induction of calcium mobilization by FLIPR assay


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 2A


(Homo sapiens (Human))
BDBM50302145
PNG
((R)-2-(2-(2-chlorophenoxy)ethyl)-6-(2-methylpipera...)
Show SMILES C[C@@H]1CNCCN1c1ccc(=O)n(CCOc2ccccc2Cl)n1 |r|
Show InChI InChI=1S/C17H21ClN4O2/c1-13-12-19-8-9-21(13)16-6-7-17(23)22(20-16)10-11-24-15-5-3-2-4-14(15)18/h2-7,13,19H,8-12H2,1H3/t13-/m1/s1
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n/an/an/an/a 114n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2A receptor expressed in Swiss mouse 3T3 cells assessed as induction of calcium mobilization by FLIPR assay


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 2A


(Homo sapiens (Human))
BDBM50302151
PNG
((S)-2-(1-(2-chlorophenoxy)propan-2-yl)-6-(piperazi...)
Show SMILES C[C@@H](COc1ccccc1Cl)n1nc(ccc1=O)N1CCNCC1 |r|
Show InChI InChI=1S/C17H21ClN4O2/c1-13(12-24-15-5-3-2-4-14(15)18)22-17(23)7-6-16(20-22)21-10-8-19-9-11-21/h2-7,13,19H,8-12H2,1H3/t13-/m0/s1
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n/an/an/an/a 65n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2A receptor expressed in Swiss mouse 3T3 cells assessed as induction of calcium mobilization by FLIPR assay


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 2A


(Homo sapiens (Human))
BDBM50302160
PNG
(6-(piperazin-1-yl)-2-(2-(2-(trifluoromethyl)phenox...)
Show SMILES FC(F)(F)c1ccccc1OCCn1nc(ccc1=O)N1CCNCC1
Show InChI InChI=1S/C17H19F3N4O2/c18-17(19,20)13-3-1-2-4-14(13)26-12-11-24-16(25)6-5-15(22-24)23-9-7-21-8-10-23/h1-6,21H,7-12H2
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n/an/an/an/a 1.09E+3n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2A receptor expressed in Swiss mouse 3T3 cells assessed as induction of calcium mobilization by FLIPR assay


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 2A


(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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n/an/an/an/a 41n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2A receptor expressed in Swiss mouse 3T3 cells assessed as induction of calcium mobilization by FLIPR assay


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 2B


(Homo sapiens (Human))
BDBM50302141
PNG
(2-(2-(2-chlorophenoxy)ethyl)-6-(piperazin-1-yl)pyr...)
Show SMILES Clc1ccccc1OCCn1nc(ccc1=O)N1CCNCC1
Show InChI InChI=1S/C16H19ClN4O2/c17-13-3-1-2-4-14(13)23-12-11-21-16(22)6-5-15(19-21)20-9-7-18-8-10-20/h1-6,18H,7-12H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2B receptor expressed in Swiss mouse 3T3 cells assessed as induction of calcium mobilization by FLIPR assay


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 2B


(Homo sapiens (Human))
BDBM50302145
PNG
((R)-2-(2-(2-chlorophenoxy)ethyl)-6-(2-methylpipera...)
Show SMILES C[C@@H]1CNCCN1c1ccc(=O)n(CCOc2ccccc2Cl)n1 |r|
Show InChI InChI=1S/C17H21ClN4O2/c1-13-12-19-8-9-21(13)16-6-7-17(23)22(20-16)10-11-24-15-5-3-2-4-14(15)18/h2-7,13,19H,8-12H2,1H3/t13-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2B receptor expressed in Swiss mouse 3T3 cells assessed as induction of calcium mobilization by FLIPR assay


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 2B


(Homo sapiens (Human))
BDBM50302151
PNG
((S)-2-(1-(2-chlorophenoxy)propan-2-yl)-6-(piperazi...)
Show SMILES C[C@@H](COc1ccccc1Cl)n1nc(ccc1=O)N1CCNCC1 |r|
Show InChI InChI=1S/C17H21ClN4O2/c1-13(12-24-15-5-3-2-4-14(15)18)22-17(23)7-6-16(20-22)21-10-8-19-9-11-21/h2-7,13,19H,8-12H2,1H3/t13-/m0/s1
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n/an/an/an/a 506n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2B receptor expressed in Swiss mouse 3T3 cells assessed as induction of calcium mobilization by FLIPR assay


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 2B


(Homo sapiens (Human))
BDBM50302160
PNG
(6-(piperazin-1-yl)-2-(2-(2-(trifluoromethyl)phenox...)
Show SMILES FC(F)(F)c1ccccc1OCCn1nc(ccc1=O)N1CCNCC1
Show InChI InChI=1S/C17H19F3N4O2/c18-17(19,20)13-3-1-2-4-14(13)26-12-11-24-16(25)6-5-15(22-24)23-9-7-21-8-10-23/h1-6,21H,7-12H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2B receptor expressed in Swiss mouse 3T3 cells assessed as induction of calcium mobilization by FLIPR assay


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 2B


(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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n/an/an/an/a>2.61E+3n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2B receptor expressed in Swiss mouse 3T3 cells assessed as induction of calcium mobilization by FLIPR assay


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))
BDBM50302141
PNG
(2-(2-(2-chlorophenoxy)ethyl)-6-(piperazin-1-yl)pyr...)
Show SMILES Clc1ccccc1OCCn1nc(ccc1=O)N1CCNCC1
Show InChI InChI=1S/C16H19ClN4O2/c17-13-3-1-2-4-14(13)23-12-11-21-16(22)6-5-15(19-21)20-9-7-18-8-10-20/h1-6,18H,7-12H2
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n/an/an/an/a 164n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHOK1 cells assessed as induction of calcium mobilization by FLIPR assay


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))
BDBM50302140
PNG
(2-(2-chlorophenethoxy)-6-(piperazin-1-yl)pyrazine ...)
Show SMILES Clc1ccccc1CCOc1cncc(n1)N1CCNCC1
Show InChI InChI=1S/C16H19ClN4O/c17-14-4-2-1-3-13(14)5-10-22-16-12-19-11-15(20-16)21-8-6-18-7-9-21/h1-4,11-12,18H,5-10H2
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n/an/an/an/a 10n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHOK1 cells assessed as induction of calcium mobilization by FLIPR assay


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))
BDBM50001915
PNG
(1-(3-chlorophenyl)piperazine | CHEMBL478 | m-Chlor...)
Show SMILES Clc1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
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n/an/an/an/a 170n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHOK1 cells assessed as induction of calcium mobilization by FLIPR assay


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 2B


(Homo sapiens (Human))
BDBM50302140
PNG
(2-(2-chlorophenethoxy)-6-(piperazin-1-yl)pyrazine ...)
Show SMILES Clc1ccccc1CCOc1cncc(n1)N1CCNCC1
Show InChI InChI=1S/C16H19ClN4O/c17-14-4-2-1-3-13(14)5-10-22-16-12-19-11-15(20-16)21-8-6-18-7-9-21/h1-4,11-12,18H,5-10H2
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n/an/an/an/a 187n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2B receptor expressed in Swiss mouse 3T3 cells assessed as induction of calcium mobilization by FLIPR assay


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 2A


(Homo sapiens (Human))
BDBM50302140
PNG
(2-(2-chlorophenethoxy)-6-(piperazin-1-yl)pyrazine ...)
Show SMILES Clc1ccccc1CCOc1cncc(n1)N1CCNCC1
Show InChI InChI=1S/C16H19ClN4O/c17-14-4-2-1-3-13(14)5-10-22-16-12-19-11-15(20-16)21-8-6-18-7-9-21/h1-4,11-12,18H,5-10H2
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n/an/an/an/a 308n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2A receptor expressed in Swiss mouse 3T3 cells assessed as induction of calcium mobilization by FLIPR assay


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 2A


(Homo sapiens (Human))
BDBM50001915
PNG
(1-(3-chlorophenyl)piperazine | CHEMBL478 | m-Chlor...)
Show SMILES Clc1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
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n/an/an/an/a 167n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2A receptor expressed in Swiss mouse 3T3 cells assessed as induction of calcium mobilization by FLIPR assay


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 2B


(Homo sapiens (Human))
BDBM50001915
PNG
(1-(3-chlorophenyl)piperazine | CHEMBL478 | m-Chlor...)
Show SMILES Clc1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
PDB

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PubMed
n/an/an/an/a 125n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2B receptor expressed in Swiss mouse 3T3 cells assessed as induction of calcium mobilization by FLIPR assay


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