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Compile Data Set for Download or QSAR

Found 104 hits with Last Name = 'singer' and Initial = 'jm'   
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 2A


(Homo sapiens (Human))
BDBM50171676
PNG
(8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-et...)
Show SMILES CC1CC(=O)Nc2c(CCN3CCN(CC3)c3nsc4ccccc34)cc(Cl)cc12
Show InChI InChI=1S/C23H25ClN4OS/c1-15-12-21(29)25-22-16(13-17(24)14-19(15)22)6-7-27-8-10-28(11-9-27)23-18-4-2-3-5-20(18)30-26-23/h2-5,13-15H,6-12H2,1H3,(H,25,29)
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0.0500n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor expressed in 3T3 cells


Bioorg Med Chem Lett 15: 4560-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50171681
PNG
(8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-et...)
Show SMILES CC1CC(=O)Nc2c(CCN3CCN(CC3)c3nsc4ccccc34)ccc(C)c12
Show InChI InChI=1S/C24H28N4OS/c1-16-7-8-18(23-22(16)17(2)15-21(29)25-23)9-10-27-11-13-28(14-12-27)24-19-5-3-4-6-20(19)30-26-24/h3-8,17H,9-15H2,1-2H3,(H,25,29)
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0.130n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor expressed in 3T3 cells


Bioorg Med Chem Lett 15: 4560-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50171679
PNG
(8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-et...)
Show SMILES CC1CC(=O)N(C)c2c(CCN3CCN(CC3)c3nsc4ccccc34)cccc12
Show InChI InChI=1S/C24H28N4OS/c1-17-16-22(29)26(2)23-18(6-5-8-19(17)23)10-11-27-12-14-28(15-13-27)24-20-7-3-4-9-21(20)30-25-24/h3-9,17H,10-16H2,1-2H3
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0.170n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor expressed in 3T3 cells


Bioorg Med Chem Lett 15: 4560-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50171667
PNG
(8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-et...)
Show SMILES CC1CC(=O)Nc2c(CCN3CCN(CC3)c3nsc4ccccc34)cc(F)cc12
Show InChI InChI=1S/C23H25FN4OS/c1-15-12-21(29)25-22-16(13-17(24)14-19(15)22)6-7-27-8-10-28(11-9-27)23-18-4-2-3-5-20(18)30-26-23/h2-5,13-15H,6-12H2,1H3,(H,25,29)
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0.170n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor expressed in 3T3 cells


Bioorg Med Chem Lett 15: 4560-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50171664
PNG
(8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-et...)
Show SMILES CC1(C)CCNc2c(CCN3CCN(CC3)c3nsc4ccccc34)cccc12
Show InChI InChI=1S/C24H30N4S/c1-24(2)11-12-25-22-18(6-5-8-20(22)24)10-13-27-14-16-28(17-15-27)23-19-7-3-4-9-21(19)29-26-23/h3-9,25H,10-17H2,1-2H3
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0.180n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor expressed in 3T3 cells


Bioorg Med Chem Lett 15: 4560-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50171663
PNG
(8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-et...)
Show SMILES O=C1CC(c2ccccc2)c2cccc(CCN3CCN(CC3)c3nsc4ccccc34)c2N1
Show InChI InChI=1S/C28H28N4OS/c33-26-19-24(20-7-2-1-3-8-20)22-11-6-9-21(27(22)29-26)13-14-31-15-17-32(18-16-31)28-23-10-4-5-12-25(23)34-30-28/h1-12,24H,13-19H2,(H,29,33)
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0.180n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor expressed in 3T3 cells


Bioorg Med Chem Lett 15: 4560-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50171683
PNG
(8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-et...)
Show SMILES CC1CC(=O)Nc2c(CCN3CCN(CC3)c3nsc4ccccc34)cccc12
Show InChI InChI=1S/C23H26N4OS/c1-16-15-21(28)24-22-17(5-4-7-18(16)22)9-10-26-11-13-27(14-12-26)23-19-6-2-3-8-20(19)29-25-23/h2-8,16H,9-15H2,1H3,(H,24,28)
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0.220n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor expressed in 3T3 cells


Bioorg Med Chem Lett 15: 4560-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50171674
PNG
(8-[2-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-ethy...)
Show SMILES CC1CC(=O)Nc2c(CCN3CCN(CC3)c3noc4ccccc34)cc(F)cc12
Show InChI InChI=1S/C23H25FN4O2/c1-15-12-21(29)25-22-16(13-17(24)14-19(15)22)6-7-27-8-10-28(11-9-27)23-18-4-2-3-5-20(18)30-26-23/h2-5,13-15H,6-12H2,1H3,(H,25,29)
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0.280n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor expressed in 3T3 cells


Bioorg Med Chem Lett 15: 4560-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50171668
PNG
(8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-et...)
Show SMILES CC1(C)CCNc2c(CCN3CCN(CC3)c3nsc4ccccc34)cc(F)cc12
Show InChI InChI=1S/C24H29FN4S/c1-24(2)8-9-26-22-17(15-18(25)16-20(22)24)7-10-28-11-13-29(14-12-28)23-19-5-3-4-6-21(19)30-27-23/h3-6,15-16,26H,7-14H2,1-2H3
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0.280n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor expressed in 3T3 cells


Bioorg Med Chem Lett 15: 4560-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50171678
PNG
(8-[2-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-ethy...)
Show SMILES CC1CC(=O)Nc2c(CCN3CCN(CC3)c3noc4ccccc34)cc(C)cc12
Show InChI InChI=1S/C24H28N4O2/c1-16-13-18(23-20(14-16)17(2)15-22(29)25-23)7-8-27-9-11-28(12-10-27)24-19-5-3-4-6-21(19)30-26-24/h3-6,13-14,17H,7-12,15H2,1-2H3,(H,25,29)
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0.280n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor expressed in 3T3 cells


Bioorg Med Chem Lett 15: 4560-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50171666
PNG
(8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-et...)
Show SMILES O=C1CCc2cccc(CCN3CCN(CC3)c3nsc4ccccc34)c2N1
Show InChI InChI=1S/C22H24N4OS/c27-20-9-8-16-4-3-5-17(21(16)23-20)10-11-25-12-14-26(15-13-25)22-18-6-1-2-7-19(18)28-24-22/h1-7H,8-15H2,(H,23,27)
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0.280n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor expressed in 3T3 cells


Bioorg Med Chem Lett 15: 4560-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50171659
PNG
(1-{8-[2-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-e...)
Show SMILES CC1CCN(C(C)=O)c2c(CCN3CCN(CC3)c3noc4ccccc34)cc(F)cc12
Show InChI InChI=1S/C25H29FN4O2/c1-17-7-10-30(18(2)31)24-19(15-20(26)16-22(17)24)8-9-28-11-13-29(14-12-28)25-21-5-3-4-6-23(21)32-27-25/h3-6,15-17H,7-14H2,1-2H3
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0.290n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor expressed in 3T3 cells


Bioorg Med Chem Lett 15: 4560-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50171669
PNG
(1-{8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)...)
Show SMILES CC1CCN(C(C)=O)c2c(CCN3CCN(CC3)c3nsc4ccccc34)cccc12
Show InChI InChI=1S/C25H30N4OS/c1-18-10-13-29(19(2)30)24-20(6-5-8-21(18)24)11-12-27-14-16-28(17-15-27)25-22-7-3-4-9-23(22)31-26-25/h3-9,18H,10-17H2,1-2H3
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0.300n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor expressed in 3T3 cells


Bioorg Med Chem Lett 15: 4560-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50171682
PNG
(1-{8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)...)
Show SMILES CC1CCN(C(C)=O)c2c(CCN3CCN(CC3)c3nsc4ccccc34)cc(Cl)cc12
Show InChI InChI=1S/C25H29ClN4OS/c1-17-7-10-30(18(2)31)24-19(15-20(26)16-22(17)24)8-9-28-11-13-29(14-12-28)25-21-5-3-4-6-23(21)32-27-25/h3-6,15-17H,7-14H2,1-2H3
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0.310n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor expressed in 3T3 cells


Bioorg Med Chem Lett 15: 4560-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50171675
PNG
(1-{8-[2-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-e...)
Show SMILES CC1CCN(C(C)=O)c2c(CCN3CCN(CC3)c3noc4ccccc34)ccc(C)c12
Show InChI InChI=1S/C26H32N4O2/c1-18-8-9-21(25-24(18)19(2)10-13-30(25)20(3)31)11-12-28-14-16-29(17-15-28)26-22-6-4-5-7-23(22)32-27-26/h4-9,19H,10-17H2,1-3H3
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0.320n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor expressed in 3T3 cells


Bioorg Med Chem Lett 15: 4560-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50171660
PNG
(1-{8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)...)
Show SMILES CC1CCN(C(C)=O)c2c(CCN3CCN(CC3)c3nsc4ccccc34)cc(F)cc12
Show InChI InChI=1S/C25H29FN4OS/c1-17-7-10-30(18(2)31)24-19(15-20(26)16-22(17)24)8-9-28-11-13-29(14-12-28)25-21-5-3-4-6-23(21)32-27-25/h3-6,15-17H,7-14H2,1-2H3
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0.440n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor expressed in 3T3 cells


Bioorg Med Chem Lett 15: 4560-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50171662
PNG
(CHEMBL197677 | {8-[2-(4-Benzo[d]isothiazol-3-yl-pi...)
Show SMILES CC1CCN(C(=O)C2CCCCC2)c2c(CCN3CCN(CC3)c3nsc4ccccc34)cccc12
Show InChI InChI=1S/C30H38N4OS/c1-22-14-17-34(30(35)24-8-3-2-4-9-24)28-23(10-7-12-25(22)28)15-16-32-18-20-33(21-19-32)29-26-11-5-6-13-27(26)36-31-29/h5-7,10-13,22,24H,2-4,8-9,14-21H2,1H3
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0.590n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor expressed in 3T3 cells


Bioorg Med Chem Lett 15: 4560-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(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 2A


(Homo sapiens (Human))
BDBM50171665
PNG
(CHEMBL194953 | {8-[2-(4-Benzo[d]isothiazol-3-yl-pi...)
Show SMILES CC1CCN(C(=O)c2ccccc2)c2c(CCN3CCN(CC3)c3nsc4ccccc34)cccc12
Show InChI InChI=1S/C30H32N4OS/c1-22-14-17-34(30(35)24-8-3-2-4-9-24)28-23(10-7-12-25(22)28)15-16-32-18-20-33(21-19-32)29-26-11-5-6-13-27(26)36-31-29/h2-13,22H,14-21H2,1H3
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0.610n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor expressed in 3T3 cells


Bioorg Med Chem Lett 15: 4560-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(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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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 2A


(Homo sapiens (Human))
BDBM50171673
PNG
(1-{8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)...)
Show SMILES CC1CCN(C(C)=O)c2c(CCN3CCN(CC3)c3nsc4ccccc34)ccc(C)c12
Show InChI InChI=1S/C26H32N4OS/c1-18-8-9-21(25-24(18)19(2)10-13-30(25)20(3)31)11-12-28-14-16-29(17-15-28)26-22-6-4-5-7-23(22)32-27-26/h4-9,19H,10-17H2,1-3H3
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0.75n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor expressed in 3T3 cells


Bioorg Med Chem Lett 15: 4560-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50171672
PNG
(8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-et...)
Show SMILES CC1Cc2cccc(CCN3CCN(CC3)c3nsc4ccccc34)c2NC1=O
Show InChI InChI=1S/C23H26N4OS/c1-16-15-18-6-4-5-17(21(18)24-23(16)28)9-10-26-11-13-27(14-12-26)22-19-7-2-3-8-20(19)29-25-22/h2-8,16H,9-15H2,1H3,(H,24,28)
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1.06n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor expressed in 3T3 cells


Bioorg Med Chem Lett 15: 4560-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50171671
PNG
(1-{8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)...)
Show SMILES COc1cccc(CC(=O)N2CCC(C)c3cccc(CCN4CCN(CC4)c4nsc5ccccc45)c23)c1
Show InChI InChI=1S/C32H36N4O2S/c1-23-13-16-36(30(37)22-24-7-5-9-26(21-24)38-2)31-25(8-6-11-27(23)31)14-15-34-17-19-35(20-18-34)32-28-10-3-4-12-29(28)39-33-32/h3-12,21,23H,13-20,22H2,1-2H3
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1.07n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor expressed in 3T3 cells


Bioorg Med Chem Lett 15: 4560-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50171680
PNG
(1-{8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)...)
Show SMILES COc1cccc(OC)c1CC(=O)N1CCC(C)c2cccc(CCN3CCN(CC3)c3nsc4ccccc34)c12
Show InChI InChI=1S/C33H38N4O3S/c1-23-14-17-37(31(38)22-27-28(39-2)11-7-12-29(27)40-3)32-24(8-6-10-25(23)32)15-16-35-18-20-36(21-19-35)33-26-9-4-5-13-30(26)41-34-33/h4-13,23H,14-22H2,1-3H3
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1.24n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor expressed in 3T3 cells


Bioorg Med Chem Lett 15: 4560-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(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 (5-HT6)


(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 2A


(Homo sapiens (Human))
BDBM50171661
PNG
(1-{8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)...)
Show SMILES CC(=O)N1CCC(c2ccccc2)c2cccc(CCN3CCN(CC3)c3nsc4ccccc34)c12
Show InChI InChI=1S/C30H32N4OS/c1-22(35)34-17-15-25(23-8-3-2-4-9-23)26-12-7-10-24(29(26)34)14-16-32-18-20-33(21-19-32)30-27-11-5-6-13-28(27)36-31-30/h2-13,25H,14-21H2,1H3
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2.15n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor expressed in 3T3 cells


Bioorg Med Chem Lett 15: 4560-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50171670
PNG
(6-Fluoro-4-methyl-8-{2-[4-(1-oxo-1H-1lambda*4*-ben...)
Show SMILES CC1CC(=O)Nc2c(CCN3CCN(CC3)c3ns(=O)c4ccccc34)cc(F)cc12
Show InChI InChI=1S/C23H25FN4O2S/c1-15-12-21(29)25-22-16(13-17(24)14-19(15)22)6-7-27-8-10-28(11-9-27)23-18-4-2-3-5-20(18)31(30)26-23/h2-5,13-15H,6-12H2,1H3,(H,25,29)
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2.23n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor expressed in 3T3 cells


Bioorg Med Chem Lett 15: 4560-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(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 (5-HT6)


(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 (5-HT6)


(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 (5-HT6)


(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 (5-HT6)


(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 (5-HT6)


(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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50171671
PNG
(1-{8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)...)
Show SMILES COc1cccc(CC(=O)N2CCC(C)c3cccc(CCN4CCN(CC4)c4nsc5ccccc45)c23)c1
Show InChI InChI=1S/C32H36N4O2S/c1-23-13-16-36(30(37)22-24-7-5-9-26(21-24)38-2)31-25(8-6-11-27(23)31)14-15-34-17-19-35(20-18-34)32-28-10-3-4-12-29(28)39-33-32/h3-12,21,23H,13-20,22H2,1-2H3
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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 against Dopamine receptor D2 expressed in CHO cells


Bioorg Med Chem Lett 15: 4560-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(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 (5-HT6)


(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 (5-HT6)


(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 (5-HT6)


(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 (5-HT6)


(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 (5-HT6)


(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 (5-HT6)


(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 (5-HT6)


(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 (5-HT6)


(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 (5-HT6)


(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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50171680
PNG
(1-{8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)...)
Show SMILES COc1cccc(OC)c1CC(=O)N1CCC(C)c2cccc(CCN3CCN(CC3)c3nsc4ccccc34)c12
Show InChI InChI=1S/C33H38N4O3S/c1-23-14-17-37(31(38)22-27-28(39-2)11-7-12-29(27)40-3)32-24(8-6-10-25(23)32)15-16-35-18-20-36(21-19-35)33-26-9-4-5-13-30(26)41-34-33/h4-13,23H,14-22H2,1-3H3
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11n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D2 expressed in CHO cells


Bioorg Med Chem Lett 15: 4560-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50171681
PNG
(8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-et...)
Show SMILES CC1CC(=O)Nc2c(CCN3CCN(CC3)c3nsc4ccccc34)ccc(C)c12
Show InChI InChI=1S/C24H28N4OS/c1-16-7-8-18(23-22(16)17(2)15-21(29)25-23)9-10-27-11-13-28(14-12-27)24-19-5-3-4-6-20(19)30-26-24/h3-8,17H,9-15H2,1-2H3,(H,25,29)
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11n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D2 expressed in CHO cells


Bioorg Med Chem Lett 15: 4560-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(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 (5-HT6)


(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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50171673
PNG
(1-{8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)...)
Show SMILES CC1CCN(C(C)=O)c2c(CCN3CCN(CC3)c3nsc4ccccc34)ccc(C)c12
Show InChI InChI=1S/C26H32N4OS/c1-18-8-9-21(25-24(18)19(2)10-13-30(25)20(3)31)11-12-28-14-16-29(17-15-28)26-22-6-4-5-7-23(22)32-27-26/h4-9,19H,10-17H2,1-3H3
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12n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D2 expressed in CHO cells


Bioorg Med Chem Lett 15: 4560-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ
More data for this
Ligand-Target Pair
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