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Compile Data Set for Download or QSAR

Found 54 hits Enz. Inhib. hit(s) with all data for entry = 3140   
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 6


(Homo sapiens (Human))
BDBM28586
PNG
(1-{3-[(3-chlorophenyl)methoxy]-2-methylphenyl}pipe...)
Show SMILES Cc1c(OCc2cccc(Cl)c2)cccc1N1CCNCC1
Show InChI InChI=1S/C18H21ClN2O/c1-14-17(21-10-8-20-9-11-21)6-3-7-18(14)22-13-15-4-2-5-16(19)12-15/h2-7,12,20H,8-11,13H2,1H3
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0.600 -52.1n/an/an/an/an/a7.522



Pfizer



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...


Bioorg Med Chem Lett 19: 2409-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM28583
PNG
(5-chloro-N-[4-methoxy-3-(piperazin-1-yl)phenyl]-3-...)
Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1
Show InChI InChI=1S/C20H22ClN3O3S2/c1-13-16-11-14(21)3-6-19(16)28-20(13)29(25,26)23-15-4-5-18(27-2)17(12-15)24-9-7-22-8-10-24/h3-6,11-12,22-23H,7-10H2,1-2H3
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CHEMBL
MCE
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PubMed
0.660 -51.9n/an/an/an/an/a7.522



Pfizer



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...


Bioorg Med Chem Lett 19: 2409-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM28584
PNG
(1-[3-(benzyloxy)-2-methylphenyl]piperazine | tolyl...)
Show SMILES Cc1c(OCc2ccccc2)cccc1N1CCNCC1
Show InChI InChI=1S/C18H22N2O/c1-15-17(20-12-10-19-11-13-20)8-5-9-18(15)21-14-16-6-3-2-4-7-16/h2-9,19H,10-14H2,1H3
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1.30 -50.2n/an/an/an/an/a7.522



Pfizer



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...


Bioorg Med Chem Lett 19: 2409-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM28635
PNG
(2-methyl-3-(piperidin-4-yl)phenyl naphthalene-1-su...)
Show SMILES Cc1c(OS(=O)(=O)c2cccc3ccccc23)cccc1C1CCNCC1
Show InChI InChI=1S/C22H23NO3S/c1-16-19(18-12-14-23-15-13-18)9-5-10-21(16)26-27(24,25)22-11-4-7-17-6-2-3-8-20(17)22/h2-11,18,23H,12-15H2,1H3
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1.5 -50.4n/an/an/an/an/an/a25



Pfizer



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...


Bioorg Med Chem Lett 19: 2409-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM28620
PNG
(2-[1-(3-chlorophenyl)-2,2,2-trifluoroethoxy]-3-met...)
Show SMILES Cc1c(OC(c2cccc(Cl)c2)C(F)(F)F)nccc1C1CCNCC1
Show InChI InChI=1S/C19H20ClF3N2O/c1-12-16(13-5-8-24-9-6-13)7-10-25-18(12)26-17(19(21,22)23)14-3-2-4-15(20)11-14/h2-4,7,10-11,13,17,24H,5-6,8-9H2,1H3
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2.40 -49.2n/an/an/an/an/an/a25



Pfizer



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...


Bioorg Med Chem Lett 19: 2409-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM28594
PNG
(4-{3-[(3-fluorophenyl)methoxy]-2-methylphenyl}pipe...)
Show SMILES Cc1c(OCc2cccc(F)c2)cccc1C1CCNCC1
Show InChI InChI=1S/C19H22FNO/c1-14-18(16-8-10-21-11-9-16)6-3-7-19(14)22-13-15-4-2-5-17(20)12-15/h2-7,12,16,21H,8-11,13H2,1H3
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2.5 -48.6n/an/an/an/an/a7.522



Pfizer



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...


Bioorg Med Chem Lett 19: 2409-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM28636
PNG
(2-methyl-3-(piperidin-4-yl)phenyl naphthalene-2-su...)
Show SMILES Cc1c(OS(=O)(=O)c2ccc3ccccc3c2)cccc1C1CCNCC1
Show InChI InChI=1S/C22H23NO3S/c1-16-21(18-11-13-23-14-12-18)7-4-8-22(16)26-27(24,25)20-10-9-17-5-2-3-6-19(17)15-20/h2-10,15,18,23H,11-14H2,1H3
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2.70 -48.9n/an/an/an/an/an/a25



Pfizer



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...


Bioorg Med Chem Lett 19: 2409-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM28603
PNG
(4-{3-[(1S)-1-(3-chlorophenyl)ethoxy]-2-methylpheny...)
Show SMILES C[C@H](Oc1cccc(C2CCNCC2)c1C)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C20H24ClNO/c1-14-19(16-9-11-22-12-10-16)7-4-8-20(14)23-15(2)17-5-3-6-18(21)13-17/h3-8,13,15-16,22H,9-12H2,1-2H3/t15-/m0/s1
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2.80 -48.3n/an/an/an/an/a7.522



Pfizer



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...


Bioorg Med Chem Lett 19: 2409-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM28595
PNG
(4-{3-[(3-chlorophenyl)methoxy]-2-methylphenyl}pipe...)
Show SMILES Cc1c(OCc2cccc(Cl)c2)cccc1C1CCNCC1
Show InChI InChI=1S/C19H22ClNO/c1-14-18(16-8-10-21-11-9-16)6-3-7-19(14)22-13-15-4-2-5-17(20)12-15/h2-7,12,16,21H,8-11,13H2,1H3
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3.30 -47.9n/an/an/an/an/a7.522



Pfizer



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...


Bioorg Med Chem Lett 19: 2409-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM28623
PNG
(4-[3-(3-chlorophenoxymethyl)-2-methylphenyl]piperi...)
Show SMILES Cc1c(COc2cccc(Cl)c2)cccc1C1CCNCC1
Show InChI InChI=1S/C19H22ClNO/c1-14-16(13-22-18-6-3-5-17(20)12-18)4-2-7-19(14)15-8-10-21-11-9-15/h2-7,12,15,21H,8-11,13H2,1H3
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3.5 -48.3n/an/an/an/an/an/a25



Pfizer



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...


Bioorg Med Chem Lett 19: 2409-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM28621
PNG
(3-methyl-4-(piperidin-4-yl)-2-[2,2,2-trifluoro-1-(...)
Show SMILES Cc1c(OC(c2cccc(F)c2)C(F)(F)F)nccc1C1CCNCC1
Show InChI InChI=1S/C19H20F4N2O/c1-12-16(13-5-8-24-9-6-13)7-10-25-18(12)26-17(19(21,22)23)14-3-2-4-15(20)11-14/h2-4,7,10-11,13,17,24H,5-6,8-9H2,1H3
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4.30 -47.8n/an/an/an/an/an/a25



Pfizer



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...


Bioorg Med Chem Lett 19: 2409-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM28628
PNG
(2-methyl-3-(piperidin-4-yl)phenyl 2-chlorobenzene-...)
Show SMILES Cc1c(OS(=O)(=O)c2ccccc2Cl)cccc1C1CCNCC1
Show InChI InChI=1S/C18H20ClNO3S/c1-13-15(14-9-11-20-12-10-14)5-4-7-17(13)23-24(21,22)18-8-3-2-6-16(18)19/h2-8,14,20H,9-12H2,1H3
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5.80 -47.0n/an/an/an/an/an/a25



Pfizer



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...


Bioorg Med Chem Lett 19: 2409-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM28619
PNG
(2-[1-(3-chlorophenyl)propoxy]-3-methyl-4-(piperidi...)
Show SMILES CCC(Oc1nccc(C2CCNCC2)c1C)c1cccc(Cl)c1
Show InChI InChI=1S/C20H25ClN2O/c1-3-19(16-5-4-6-17(21)13-16)24-20-14(2)18(9-12-23-20)15-7-10-22-11-8-15/h4-6,9,12-13,15,19,22H,3,7-8,10-11H2,1-2H3
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6.40 -46.8n/an/an/an/an/an/a25



Pfizer



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...


Bioorg Med Chem Lett 19: 2409-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM28624
PNG
(4-[3-(3-fluorophenoxymethyl)-2-methylphenyl]piperi...)
Show SMILES Cc1c(COc2cccc(F)c2)cccc1C1CCNCC1
Show InChI InChI=1S/C19H22FNO/c1-14-16(13-22-18-6-3-5-17(20)12-18)4-2-7-19(14)15-8-10-21-11-9-15/h2-7,12,15,21H,8-11,13H2,1H3
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6.5 -46.7n/an/an/an/an/an/a25



Pfizer



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...


Bioorg Med Chem Lett 19: 2409-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM28601
PNG
(4-{3-[(1S)-1-(3-fluorophenyl)ethoxy]-2-methylpheny...)
Show SMILES C[C@H](Oc1cccc(C2CCNCC2)c1C)c1cccc(F)c1 |r|
Show InChI InChI=1S/C20H24FNO/c1-14-19(16-9-11-22-12-10-16)7-4-8-20(14)23-15(2)17-5-3-6-18(21)13-17/h3-8,13,15-16,22H,9-12H2,1-2H3/t15-/m0/s1
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6.90 -46.1n/an/an/an/an/a7.522



Pfizer



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...


Bioorg Med Chem Lett 19: 2409-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM28607
PNG
(2-[(3-chlorophenyl)methoxy]-3-methyl-4-(piperidin-...)
Show SMILES Cc1c(OCc2cccc(Cl)c2)nccc1C1CCNCC1
Show InChI InChI=1S/C18H21ClN2O/c1-13-17(15-5-8-20-9-6-15)7-10-21-18(13)22-12-14-3-2-4-16(19)11-14/h2-4,7,10-11,15,20H,5-6,8-9,12H2,1H3
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8.10 -46.2n/an/an/an/an/an/a25



Pfizer



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...


Bioorg Med Chem Lett 19: 2409-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM28589
PNG
(1-{3-[(3,4-difluorophenyl)methoxy]-2-methylphenyl}...)
Show SMILES Cc1c(OCc2ccc(F)c(F)c2)cccc1N1CCNCC1
Show InChI InChI=1S/C18H20F2N2O/c1-13-17(22-9-7-21-8-10-22)3-2-4-18(13)23-12-14-5-6-15(19)16(20)11-14/h2-6,11,21H,7-10,12H2,1H3
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9.30 -45.4n/an/an/an/an/a7.522



Pfizer



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...


Bioorg Med Chem Lett 19: 2409-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM28631
PNG
(2-methyl-3-(piperidin-4-yl)phenyl 2-methylbenzene-...)
Show SMILES Cc1ccccc1S(=O)(=O)Oc1cccc(C2CCNCC2)c1C
Show InChI InChI=1S/C19H23NO3S/c1-14-6-3-4-9-19(14)24(21,22)23-18-8-5-7-17(15(18)2)16-10-12-20-13-11-16/h3-9,16,20H,10-13H2,1-2H3
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10.1 -45.6n/an/an/an/an/an/a25



Pfizer



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...


Bioorg Med Chem Lett 19: 2409-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM28585
PNG
(1-{3-[(3-fluorophenyl)methoxy]-2-methylphenyl}pipe...)
Show SMILES Cc1c(OCc2cccc(F)c2)cccc1N1CCNCC1
Show InChI InChI=1S/C18H21FN2O/c1-14-17(21-10-8-20-9-11-21)6-3-7-18(14)22-13-15-4-2-5-16(19)12-15/h2-7,12,20H,8-11,13H2,1H3
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10.3 -45.1n/an/an/an/an/a7.522



Pfizer



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...


Bioorg Med Chem Lett 19: 2409-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM28617
PNG
(2-[(1S)-1-(3-chlorophenyl)ethoxy]-3-methyl-4-(pipe...)
Show SMILES C[C@H](Oc1nccc(C2CCNCC2)c1C)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C19H23ClN2O/c1-13-18(15-6-9-21-10-7-15)8-11-22-19(13)23-14(2)16-4-3-5-17(20)12-16/h3-5,8,11-12,14-15,21H,6-7,9-10H2,1-2H3/t14-/m0/s1
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10.5 -45.5n/an/an/an/an/an/a25



Pfizer



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...


Bioorg Med Chem Lett 19: 2409-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM28634
PNG
(2-methyl-3-(piperidin-4-yl)phenyl 4-ethylbenzene-1...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)Oc1cccc(C2CCNCC2)c1C
Show InChI InChI=1S/C20H25NO3S/c1-3-16-7-9-18(10-8-16)25(22,23)24-20-6-4-5-19(15(20)2)17-11-13-21-14-12-17/h4-10,17,21H,3,11-14H2,1-2H3
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11.3 -45.4n/an/an/an/an/an/a25



Pfizer



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...


Bioorg Med Chem Lett 19: 2409-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM28588
PNG
(1-{3-[(2-fluorophenyl)methoxy]-2-methylphenyl}pipe...)
Show SMILES Cc1c(OCc2ccccc2F)cccc1N1CCNCC1
Show InChI InChI=1S/C18H21FN2O/c1-14-17(21-11-9-20-10-12-21)7-4-8-18(14)22-13-15-5-2-3-6-16(15)19/h2-8,20H,9-13H2,1H3
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11.6 -44.8n/an/an/an/an/a7.522



Pfizer



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...


Bioorg Med Chem Lett 19: 2409-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM28630
PNG
(2-methyl-3-(piperidin-4-yl)phenyl 2-fluorobenzene-...)
Show SMILES Cc1c(OS(=O)(=O)c2ccccc2F)cccc1C1CCNCC1
Show InChI InChI=1S/C18H20FNO3S/c1-13-15(14-9-11-20-12-10-14)5-4-7-17(13)23-24(21,22)18-8-3-2-6-16(18)19/h2-8,14,20H,9-12H2,1H3
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13.6 -44.9n/an/an/an/an/an/a25



Pfizer



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...


Bioorg Med Chem Lett 19: 2409-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM28632
PNG
(2-methyl-3-(piperidin-4-yl)phenyl 3-methylbenzene-...)
Show SMILES Cc1cccc(c1)S(=O)(=O)Oc1cccc(C2CCNCC2)c1C
Show InChI InChI=1S/C19H23NO3S/c1-14-5-3-6-17(13-14)24(21,22)23-19-8-4-7-18(15(19)2)16-9-11-20-12-10-16/h3-8,13,16,20H,9-12H2,1-2H3
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15.1 -44.6n/an/an/an/an/an/a25



Pfizer



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...


Bioorg Med Chem Lett 19: 2409-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM28587
PNG
(3-[2-methyl-3-(piperazin-1-yl)phenoxymethyl]benzon...)
Show SMILES Cc1c(OCc2cccc(c2)C#N)cccc1N1CCNCC1
Show InChI InChI=1S/C19H21N3O/c1-15-18(22-10-8-21-9-11-22)6-3-7-19(15)23-14-17-5-2-4-16(12-17)13-20/h2-7,12,21H,8-11,14H2,1H3
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15.3 -44.2n/an/an/an/an/a7.522



Pfizer



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...


Bioorg Med Chem Lett 19: 2409-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM28608
PNG
(2-[(3-fluorophenyl)methoxy]-3-methyl-4-(piperidin-...)
Show SMILES Cc1c(OCc2cccc(F)c2)nccc1C1CCNCC1
Show InChI InChI=1S/C18H21FN2O/c1-13-17(15-5-8-20-9-6-15)7-10-21-18(13)22-12-14-3-2-4-16(19)11-14/h2-4,7,10-11,15,20H,5-6,8-9,12H2,1H3
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17.8 -44.2n/an/an/an/an/an/a25



Pfizer



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...


Bioorg Med Chem Lett 19: 2409-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM28605
PNG
(4-{3-[1-(3-chlorophenyl)propoxy]-2-methylphenyl}pi...)
Show SMILES CCC(Oc1cccc(C2CCNCC2)c1C)c1cccc(Cl)c1
Show InChI InChI=1S/C21H26ClNO/c1-3-20(17-6-4-7-18(22)14-17)24-21-9-5-8-19(15(21)2)16-10-12-23-13-11-16/h4-9,14,16,20,23H,3,10-13H2,1-2H3
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17.9 -43.8n/an/an/an/an/a7.522



Pfizer



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...


Bioorg Med Chem Lett 19: 2409-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM28627
PNG
(2-methyl-3-(piperidin-4-yl)phenyl 3-fluorobenzene-...)
Show SMILES Cc1c(OS(=O)(=O)c2cccc(F)c2)cccc1C1CCNCC1
Show InChI InChI=1S/C18H20FNO3S/c1-13-17(14-8-10-20-11-9-14)6-3-7-18(13)23-24(21,22)16-5-2-4-15(19)12-16/h2-7,12,14,20H,8-11H2,1H3
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18.4 -44.2n/an/an/an/an/an/a25



Pfizer



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...


Bioorg Med Chem Lett 19: 2409-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM28609
PNG
(3-methyl-4-(piperidin-4-yl)-2-{[3-(trifluoromethyl...)
Show SMILES Cc1c(OCc2cccc(c2)C(F)(F)F)nccc1C1CCNCC1
Show InChI InChI=1S/C19H21F3N2O/c1-13-17(15-5-8-23-9-6-15)7-10-24-18(13)25-12-14-3-2-4-16(11-14)19(20,21)22/h2-4,7,10-11,15,23H,5-6,8-9,12H2,1H3
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19.1 -44.1n/an/an/an/an/an/a25



Pfizer



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...


Bioorg Med Chem Lett 19: 2409-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM28625
PNG
(2-methyl-3-(piperidin-4-yl)phenyl benzenesulfonate...)
Show SMILES Cc1c(OS(=O)(=O)c2ccccc2)cccc1C1CCNCC1
Show InChI InChI=1S/C18H21NO3S/c1-14-17(15-10-12-19-13-11-15)8-5-9-18(14)22-23(20,21)16-6-3-2-4-7-16/h2-9,15,19H,10-13H2,1H3
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19.6 -44.0n/an/an/an/an/an/a25



Pfizer



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...


Bioorg Med Chem Lett 19: 2409-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM28629
PNG
(2-methyl-3-(piperidin-4-yl)phenyl 4-chlorobenzene-...)
Show SMILES Cc1c(OS(=O)(=O)c2ccc(Cl)cc2)cccc1C1CCNCC1
Show InChI InChI=1S/C18H20ClNO3S/c1-13-17(14-9-11-20-12-10-14)3-2-4-18(13)23-24(21,22)16-7-5-15(19)6-8-16/h2-8,14,20H,9-12H2,1H3
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24.7 -43.4n/an/an/an/an/an/a25



Pfizer



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...


Bioorg Med Chem Lett 19: 2409-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM28626
PNG
(2-methyl-3-(piperidin-4-yl)phenyl 3-chlorobenzene-...)
Show SMILES Cc1c(OS(=O)(=O)c2cccc(Cl)c2)cccc1C1CCNCC1
Show InChI InChI=1S/C18H20ClNO3S/c1-13-17(14-8-10-20-11-9-14)6-3-7-18(13)23-24(21,22)16-5-2-4-15(19)12-16/h2-7,12,14,20H,8-11H2,1H3
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26.1 -43.3n/an/an/an/an/an/a25



Pfizer



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...


Bioorg Med Chem Lett 19: 2409-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM28633
PNG
(2-methyl-3-(piperidin-4-yl)phenyl 4-methylbenzene-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Oc1cccc(C2CCNCC2)c1C
Show InChI InChI=1S/C19H23NO3S/c1-14-6-8-17(9-7-14)24(21,22)23-19-5-3-4-18(15(19)2)16-10-12-20-13-11-16/h3-9,16,20H,10-13H2,1-2H3
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28.9 -43.0n/an/an/an/an/an/a25



Pfizer



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...


Bioorg Med Chem Lett 19: 2409-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM28604
PNG
(4-{3-[(1R)-1-(3-chlorophenyl)ethoxy]-2-methylpheny...)
Show SMILES C[C@@H](Oc1cccc(C2CCNCC2)c1C)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C20H24ClNO/c1-14-19(16-9-11-22-12-10-16)7-4-8-20(14)23-15(2)17-5-3-6-18(21)13-17/h3-8,13,15-16,22H,9-12H2,1-2H3/t15-/m1/s1
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39.5 -41.8n/an/an/an/an/a7.522



Pfizer



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...


Bioorg Med Chem Lett 19: 2409-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM28602
PNG
(4-{3-[(1R)-1-(3-fluorophenyl)ethoxy]-2-methylpheny...)
Show SMILES C[C@@H](Oc1cccc(C2CCNCC2)c1C)c1cccc(F)c1 |r|
Show InChI InChI=1S/C20H24FNO/c1-14-19(16-9-11-22-12-10-16)7-4-8-20(14)23-15(2)17-5-3-6-18(21)13-17/h3-8,13,15-16,22H,9-12H2,1-2H3/t15-/m1/s1
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39.8 -41.8n/an/an/an/an/a7.522



Pfizer



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...


Bioorg Med Chem Lett 19: 2409-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM28598
PNG
(4-{3-[(3,4-difluorophenyl)methoxy]-2-methylphenyl}...)
Show SMILES Cc1c(OCc2ccc(F)c(F)c2)cccc1C1CCNCC1
Show InChI InChI=1S/C19H21F2NO/c1-13-16(15-7-9-22-10-8-15)3-2-4-19(13)23-12-14-5-6-17(20)18(21)11-14/h2-6,11,15,22H,7-10,12H2,1H3
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42 -41.7n/an/an/an/an/a7.522



Pfizer



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...


Bioorg Med Chem Lett 19: 2409-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM28592
PNG
(1-{2-methyl-3-[(1S)-1-phenylethoxy]phenyl}piperazi...)
Show SMILES C[C@H](Oc1cccc(N2CCNCC2)c1C)c1ccccc1 |r|
Show InChI InChI=1S/C19H24N2O/c1-15-18(21-13-11-20-12-14-21)9-6-10-19(15)22-16(2)17-7-4-3-5-8-17/h3-10,16,20H,11-14H2,1-2H3/t16-/m0/s1
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45.6 -41.5n/an/an/an/an/a7.522



Pfizer



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...


Bioorg Med Chem Lett 19: 2409-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM28615
PNG
(3-methyl-2-[(1S)-1-phenylethoxy]-4-(piperidin-4-yl...)
Show SMILES C[C@H](Oc1nccc(C2CCNCC2)c1C)c1ccccc1 |r|
Show InChI InChI=1S/C19H24N2O/c1-14-18(17-8-11-20-12-9-17)10-13-21-19(14)22-15(2)16-6-4-3-5-7-16/h3-7,10,13,15,17,20H,8-9,11-12H2,1-2H3/t15-/m0/s1
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48.5 -41.7n/an/an/an/an/an/a25



Pfizer



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...


Bioorg Med Chem Lett 19: 2409-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM28611
PNG
(2-[(4-chlorophenyl)methoxy]-3-methyl-4-(piperidin-...)
Show SMILES Cc1c(OCc2ccc(Cl)cc2)nccc1C1CCNCC1
Show InChI InChI=1S/C18H21ClN2O/c1-13-17(15-6-9-20-10-7-15)8-11-21-18(13)22-12-14-2-4-16(19)5-3-14/h2-5,8,11,15,20H,6-7,9-10,12H2,1H3
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50 -41.7n/an/an/an/an/an/a25



Pfizer



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...


Bioorg Med Chem Lett 19: 2409-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM28590
PNG
(1-{3-[(3,4-dichlorophenyl)methoxy]-2-methylphenyl}...)
Show SMILES Cc1c(OCc2ccc(Cl)c(Cl)c2)cccc1N1CCNCC1
Show InChI InChI=1S/C18H20Cl2N2O/c1-13-17(22-9-7-21-8-10-22)3-2-4-18(13)23-12-14-5-6-15(19)16(20)11-14/h2-6,11,21H,7-10,12H2,1H3
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61.6 -40.7n/an/an/an/an/a7.522



Pfizer



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...


Bioorg Med Chem Lett 19: 2409-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM28593
PNG
(1-{2-methyl-3-[(1R)-1-phenylethoxy]phenyl}piperazi...)
Show SMILES C[C@@H](Oc1cccc(N2CCNCC2)c1C)c1ccccc1 |r|
Show InChI InChI=1S/C19H24N2O/c1-15-18(21-13-11-20-12-14-21)9-6-10-19(15)22-16(2)17-7-4-3-5-8-17/h3-10,16,20H,11-14H2,1-2H3/t16-/m1/s1
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70.7 -40.4n/an/an/an/an/a7.522



Pfizer



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...


Bioorg Med Chem Lett 19: 2409-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM28597
PNG
(4-{2-methyl-3-[(3-methylphenyl)methoxy]phenyl}pipe...)
Show SMILES Cc1cccc(COc2cccc(C3CCNCC3)c2C)c1
Show InChI InChI=1S/C20H25NO/c1-15-5-3-6-17(13-15)14-22-20-8-4-7-19(16(20)2)18-9-11-21-12-10-18/h3-8,13,18,21H,9-12,14H2,1-2H3
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92.5 -39.7n/an/an/an/an/a7.522



Pfizer



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...


Bioorg Med Chem Lett 19: 2409-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM28591
PNG
(1-[2-methyl-3-(pyridin-3-ylmethoxy)phenyl]piperazi...)
Show SMILES Cc1c(OCc2cccnc2)cccc1N1CCNCC1
Show InChI InChI=1S/C17H21N3O/c1-14-16(20-10-8-18-9-11-20)5-2-6-17(14)21-13-15-4-3-7-19-12-15/h2-7,12,18H,8-11,13H2,1H3
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126 -39.0n/an/an/an/an/a7.522



Pfizer



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...


Bioorg Med Chem Lett 19: 2409-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM28596
PNG
(3-[2-methyl-3-(piperidin-4-yl)phenoxymethyl]benzon...)
Show SMILES Cc1c(OCc2cccc(c2)C#N)cccc1C1CCNCC1
Show InChI InChI=1S/C20H22N2O/c1-15-19(18-8-10-22-11-9-18)6-3-7-20(15)23-14-17-5-2-4-16(12-17)13-21/h2-7,12,18,22H,8-11,14H2,1H3
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174 -38.2n/an/an/an/an/a7.522



Pfizer



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...


Bioorg Med Chem Lett 19: 2409-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM28618
PNG
(2-[(1R)-1-(3-chlorophenyl)ethoxy]-3-methyl-4-(pipe...)
Show SMILES C[C@@H](Oc1nccc(C2CCNCC2)c1C)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C19H23ClN2O/c1-13-18(15-6-9-21-10-7-15)8-11-22-19(13)23-14(2)16-4-3-5-17(20)12-16/h3-5,8,11-12,14-15,21H,6-7,9-10H2,1-2H3/t14-/m1/s1
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208 -38.1n/an/an/an/an/an/a25



Pfizer



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...


Bioorg Med Chem Lett 19: 2409-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM28599
PNG
(4-{3-[(3,4-dichlorophenyl)methoxy]-2-methylphenyl}...)
Show SMILES Cc1c(OCc2ccc(Cl)c(Cl)c2)cccc1C1CCNCC1
Show InChI InChI=1S/C19H21Cl2NO/c1-13-16(15-7-9-22-10-8-15)3-2-4-19(13)23-12-14-5-6-17(20)18(21)11-14/h2-6,11,15,22H,7-10,12H2,1H3
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219 -37.6n/an/an/an/an/a7.522



Pfizer



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...


Bioorg Med Chem Lett 19: 2409-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM28614
PNG
(2-[(2,4-difluorophenyl)methoxy]-3-methyl-4-(piperi...)
Show SMILES Cc1c(OCc2ccc(F)cc2F)nccc1C1CCNCC1
Show InChI InChI=1S/C18H20F2N2O/c1-12-16(13-4-7-21-8-5-13)6-9-22-18(12)23-11-14-2-3-15(19)10-17(14)20/h2-3,6,9-10,13,21H,4-5,7-8,11H2,1H3
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239 -37.8n/an/an/an/an/an/a25



Pfizer



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...


Bioorg Med Chem Lett 19: 2409-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM28606
PNG
(4-{3-[(3-chlorophenyl)methoxy]-2-methylphenyl}pipe...)
Show SMILES Cc1c(OCc2cccc(Cl)c2)cccc1C1(O)CCNCC1
Show InChI InChI=1S/C19H22ClNO2/c1-14-17(19(22)8-10-21-11-9-19)6-3-7-18(14)23-13-15-4-2-5-16(20)12-15/h2-7,12,21-22H,8-11,13H2,1H3
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>440>-35.9n/an/an/an/an/a7.522



Pfizer



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...


Bioorg Med Chem Lett 19: 2409-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM28610
PNG
(2-[(2-chlorophenyl)methoxy]-3-methyl-4-(piperidin-...)
Show SMILES Cc1c(OCc2ccccc2Cl)nccc1C1CCNCC1
Show InChI InChI=1S/C18H21ClN2O/c1-13-16(14-6-9-20-10-7-14)8-11-21-18(13)22-12-15-4-2-3-5-17(15)19/h2-5,8,11,14,20H,6-7,9-10,12H2,1H3
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>440>-36.3n/an/an/an/an/an/a25



Pfizer



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...


Bioorg Med Chem Lett 19: 2409-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM28612
PNG
(2-[(2-fluorophenyl)methoxy]-3-methyl-4-(piperidin-...)
Show SMILES Cc1c(OCc2ccccc2F)nccc1C1CCNCC1
Show InChI InChI=1S/C18H21FN2O/c1-13-16(14-6-9-20-10-7-14)8-11-21-18(13)22-12-15-4-2-3-5-17(15)19/h2-5,8,11,14,20H,6-7,9-10,12H2,1H3
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>440>-36.3n/an/an/an/an/an/a25



Pfizer



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...


Bioorg Med Chem Lett 19: 2409-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5
More data for this
Ligand-Target Pair
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