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Compile Data Set for Download or QSAR

Found 259 hits with Last Name = 'park' and Initial = 'hy'   
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))
BDBM50306837
PNG
(CHEMBL602284 | N-(Cyclohexylmethyl)-N-(3-(4-(4-flu...)
Show SMILES Fc1ccc(cc1)N1CCN(CCCN(CC2CCCCC2)S(=O)(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C30H38FN3O2S/c31-28-12-14-29(15-13-28)33-21-19-32(20-22-33)17-6-18-34(24-25-7-2-1-3-8-25)37(35,36)30-16-11-26-9-4-5-10-27(26)23-30/h4-5,9-16,23,25H,1-3,6-8,17-22,24H2
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n/an/a 0.5n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in avCHO-K1 cells


Bioorg Med Chem 18: 1665-75 (2010)


Article DOI: 10.1016/j.bmc.2009.12.067
BindingDB Entry DOI: 10.7270/Q2R78F99
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50306834
PNG
(CHEMBL600012 | N-(Cyclohexylmethyl)-N-(3-(4-phenyl...)
Show SMILES O=S(=O)(N(CCCN1CCN(CC1)c1ccccc1)CC1CCCCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C30H39N3O2S/c34-36(35,30-17-16-27-12-7-8-13-28(27)24-30)33(25-26-10-3-1-4-11-26)19-9-18-31-20-22-32(23-21-31)29-14-5-2-6-15-29/h2,5-8,12-17,24,26H,1,3-4,9-11,18-23,25H2
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n/an/a 0.700n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in avCHO-K1 cells


Bioorg Med Chem 18: 1665-75 (2010)


Article DOI: 10.1016/j.bmc.2009.12.067
BindingDB Entry DOI: 10.7270/Q2R78F99
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50306826
PNG
(CHEMBL602882 | N-(Cyclohexylmethyl)-N-(3-(4-phenyl...)
Show SMILES O=S(=O)(N(CCCN1CCN(CC1)c1ccccc1)CC1CCCCC1)c1cccc2ccccc12
Show InChI InChI=1S/C30H39N3O2S/c34-36(35,30-18-9-14-27-13-7-8-17-29(27)30)33(25-26-11-3-1-4-12-26)20-10-19-31-21-23-32(24-22-31)28-15-5-2-6-16-28/h2,5-9,13-18,26H,1,3-4,10-12,19-25H2
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n/an/a 2.60n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in avCHO-K1 cells


Bioorg Med Chem 18: 1665-75 (2010)


Article DOI: 10.1016/j.bmc.2009.12.067
BindingDB Entry DOI: 10.7270/Q2R78F99
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50306833
PNG
(CHEMBL605787 | N-(Cyclohexylmethyl)-N-(3-(4-(4-flu...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1ccc(F)cc1)CC1CCCCC1
Show InChI InChI=1S/C27H38FN3O3S/c1-34-26-12-14-27(15-13-26)35(32,33)31(22-23-6-3-2-4-7-23)17-5-16-29-18-20-30(21-19-29)25-10-8-24(28)9-11-25/h8-15,23H,2-7,16-22H2,1H3
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n/an/a 3.40n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in avCHO-K1 cells


Bioorg Med Chem 18: 1665-75 (2010)


Article DOI: 10.1016/j.bmc.2009.12.067
BindingDB Entry DOI: 10.7270/Q2R78F99
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50306829
PNG
(CHEMBL605582 | N-(Cyclohexylmethyl)-N-[3-(4-phenyl...)
Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1ccccc1)CC1CCCCC1
Show InChI InChI=1S/C26H36N4O4S/c31-30(32)25-12-14-26(15-13-25)35(33,34)29(22-23-8-3-1-4-9-23)17-7-16-27-18-20-28(21-19-27)24-10-5-2-6-11-24/h2,5-6,10-15,23H,1,3-4,7-9,16-22H2
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n/an/a 4.20n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in avCHO-K1 cells


Bioorg Med Chem 18: 1665-75 (2010)


Article DOI: 10.1016/j.bmc.2009.12.067
BindingDB Entry DOI: 10.7270/Q2R78F99
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50261126
PNG
(CHEMBL497749 | N-(3-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C24H29N3O3S/c1-30-24-10-5-4-9-23(24)27-17-15-26(16-18-27)14-6-13-25-31(28,29)22-12-11-20-7-2-3-8-21(20)19-22/h2-5,7-12,19,25H,6,13-18H2,1H3
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n/an/a 4.60n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in CHOK1 cell membrane


Bioorg Med Chem 16: 5405-12 (2008)


Article DOI: 10.1016/j.bmc.2008.04.023
BindingDB Entry DOI: 10.7270/Q2RX9BVH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50306841
PNG
(CHEMBL601887 | N-(Cyclohexylmethyl)-N-[3-(4-(4-flu...)
Show SMILES Fc1ccc(cc1)N1CCN(CCCN(CC2CCCCC2)S(=O)(=O)c2cccc3cccnc23)CC1
Show InChI InChI=1S/C29H37FN4O2S/c30-26-12-14-27(15-13-26)33-21-19-32(20-22-33)17-6-18-34(23-24-7-2-1-3-8-24)37(35,36)28-11-4-9-25-10-5-16-31-29(25)28/h4-5,9-16,24H,1-3,6-8,17-23H2
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n/an/a 5.10n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in avCHO-K1 cells


Bioorg Med Chem 18: 1665-75 (2010)


Article DOI: 10.1016/j.bmc.2009.12.067
BindingDB Entry DOI: 10.7270/Q2R78F99
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50306825
PNG
(CHEMBL602279 | N-(4-(4-(4-Fluorophenyl)piperazin-1...)
Show SMILES CC(CCN1CCN(CC1)c1ccc(F)cc1)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C24H28FN3O2S/c1-19(26-31(29,30)24-11-6-20-4-2-3-5-21(20)18-24)12-13-27-14-16-28(17-15-27)23-9-7-22(25)8-10-23/h2-11,18-19,26H,12-17H2,1H3
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n/an/a 6.20n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in avCHO-K1 cells


Bioorg Med Chem 18: 1665-75 (2010)


Article DOI: 10.1016/j.bmc.2009.12.067
BindingDB Entry DOI: 10.7270/Q2R78F99
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50306820
PNG
(CHEMBL602878 | N-(Cyclopropylmethyl)-N-(3-(4-(3-(t...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCN(CC2CC2)S(=O)(=O)c2cccc3cccnc23)CC1
Show InChI InChI=1S/C27H31F3N4O2S/c28-27(29,30)23-7-2-8-24(19-23)33-17-15-32(16-18-33)13-4-14-34(20-21-10-11-21)37(35,36)25-9-1-5-22-6-3-12-31-26(22)25/h1-3,5-9,12,19,21H,4,10-11,13-18,20H2
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n/an/a 6.30n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHO cells


Bioorg Med Chem 18: 1665-75 (2010)


Article DOI: 10.1016/j.bmc.2009.12.067
BindingDB Entry DOI: 10.7270/Q2R78F99
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50306827
PNG
(CHEMBL602274 | N-(Cyclohexylmethyl)-N-[3-(4-phenyl...)
Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1ccccc1)CC1CCCCC1
Show InChI InChI=1S/C27H36F3N3O2S/c28-27(29,30)24-12-14-26(15-13-24)36(34,35)33(22-23-8-3-1-4-9-23)17-7-16-31-18-20-32(21-19-31)25-10-5-2-6-11-25/h2,5-6,10-15,23H,1,3-4,7-9,16-22H2
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n/an/a 7.10n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in avCHO-K1 cells


Bioorg Med Chem 18: 1665-75 (2010)


Article DOI: 10.1016/j.bmc.2009.12.067
BindingDB Entry DOI: 10.7270/Q2R78F99
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50306842
PNG
(CHEMBL604952 | N-(Cyclohexylmethyl)-N-[3-(4-(3,4-d...)
Show SMILES Clc1ccc(cc1Cl)N1CCN(CCCN(CC2CCCCC2)S(=O)(=O)c2cccc3cccnc23)CC1
Show InChI InChI=1S/C29H36Cl2N4O2S/c30-26-13-12-25(21-27(26)31)34-19-17-33(18-20-34)15-6-16-35(22-23-7-2-1-3-8-23)38(36,37)28-11-4-9-24-10-5-14-32-29(24)28/h4-5,9-14,21,23H,1-3,6-8,15-20,22H2
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n/an/a 7.70n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in avCHO-K1 cells


Bioorg Med Chem 18: 1665-75 (2010)


Article DOI: 10.1016/j.bmc.2009.12.067
BindingDB Entry DOI: 10.7270/Q2R78F99
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50306821
PNG
(CHEMBL602889 | N-(Cyclopropylmethyl)-N-(3-(4-(4-fl...)
Show SMILES Fc1ccc(cc1)N1CCN(CCCN(CC2CC2)S(=O)(=O)c2cccc3cccnc23)CC1
Show InChI InChI=1S/C26H31FN4O2S/c27-23-9-11-24(12-10-23)30-18-16-29(17-19-30)14-3-15-31(20-21-7-8-21)34(32,33)25-6-1-4-22-5-2-13-28-26(22)25/h1-2,4-6,9-13,21H,3,7-8,14-20H2
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n/an/a 8.30n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in avCHO-K1 cells


Bioorg Med Chem 18: 1665-75 (2010)


Article DOI: 10.1016/j.bmc.2009.12.067
BindingDB Entry DOI: 10.7270/Q2R78F99
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50306830
PNG
(CHEMBL601872 | N-(Cyclohexylmethyl)-4-methoxy-N-(3...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1ccccc1)CC1CCCCC1
Show InChI InChI=1S/C27H39N3O3S/c1-33-26-13-15-27(16-14-26)34(31,32)30(23-24-9-4-2-5-10-24)18-8-17-28-19-21-29(22-20-28)25-11-6-3-7-12-25/h3,6-7,11-16,24H,2,4-5,8-10,17-23H2,1H3
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n/an/a 9.40n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in avCHO-K1 cells


Bioorg Med Chem 18: 1665-75 (2010)


Article DOI: 10.1016/j.bmc.2009.12.067
BindingDB Entry DOI: 10.7270/Q2R78F99
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50306835
PNG
(CHEMBL600210 | N-(Cyclohexylmethyl)-N-(3-(4-(2-met...)
Show SMILES COc1ccccc1N1CCN(CCCN(CC2CCCCC2)S(=O)(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C31H41N3O3S/c1-37-31-15-8-7-14-30(31)33-22-20-32(21-23-33)18-9-19-34(25-26-10-3-2-4-11-26)38(35,36)29-17-16-27-12-5-6-13-28(27)24-29/h5-8,12-17,24,26H,2-4,9-11,18-23,25H2,1H3
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n/an/a 11.6n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in avCHO-K1 cells


Bioorg Med Chem 18: 1665-75 (2010)


Article DOI: 10.1016/j.bmc.2009.12.067
BindingDB Entry DOI: 10.7270/Q2R78F99
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50261124
PNG
(CHEMBL495678 | Naphthalene-2-sulfonic acid {3-[4-(...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C24H26F3N3O2S/c25-24(26,27)21-7-3-8-22(18-21)30-15-13-29(14-16-30)12-4-11-28-33(31,32)23-10-9-19-5-1-2-6-20(19)17-23/h1-3,5-10,17-18,28H,4,11-16H2
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n/an/a 12n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHO cell membrane


Bioorg Med Chem 16: 5405-12 (2008)


Article DOI: 10.1016/j.bmc.2008.04.023
BindingDB Entry DOI: 10.7270/Q2RX9BVH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50306819
PNG
(CHEMBL602677 | N-(Cyclopropylmethyl)-N-(3-(4-(2-me...)
Show SMILES COc1ccccc1N1CCN(CCCN(CC2CC2)S(=O)(=O)c2cccc3cccnc23)CC1
Show InChI InChI=1S/C27H34N4O3S/c1-34-25-10-3-2-9-24(25)30-19-17-29(18-20-30)15-6-16-31(21-22-12-13-22)35(32,33)26-11-4-7-23-8-5-14-28-27(23)26/h2-5,7-11,14,22H,6,12-13,15-21H2,1H3
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n/an/a 12.3n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHO cells


Bioorg Med Chem 18: 1665-75 (2010)


Article DOI: 10.1016/j.bmc.2009.12.067
BindingDB Entry DOI: 10.7270/Q2R78F99
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50306822
PNG
(CHEMBL603092 | N-(4-(4-Phenylpiperazin-1-yl)butan-...)
Show SMILES CC(CCN1CCN(CC1)c1ccccc1)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C24H29N3O2S/c1-20(13-14-26-15-17-27(18-16-26)23-9-3-2-4-10-23)25-30(28,29)24-12-11-21-7-5-6-8-22(21)19-24/h2-12,19-20,25H,13-18H2,1H3
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n/an/a 12.7n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in avCHO-K1 cells


Bioorg Med Chem 18: 1665-75 (2010)


Article DOI: 10.1016/j.bmc.2009.12.067
BindingDB Entry DOI: 10.7270/Q2R78F99
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50306836
PNG
(CHEMBL602087 | N-(Cyclohexylmethyl)-N-(3-(4-(3-(tr...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCN(CC2CCCCC2)S(=O)(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C31H38F3N3O2S/c32-31(33,34)28-12-6-13-29(23-28)36-20-18-35(19-21-36)16-7-17-37(24-25-8-2-1-3-9-25)40(38,39)30-15-14-26-10-4-5-11-27(26)22-30/h4-6,10-15,22-23,25H,1-3,7-9,16-21,24H2
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n/an/a 13.1n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in avCHO-K1 cells


Bioorg Med Chem 18: 1665-75 (2010)


Article DOI: 10.1016/j.bmc.2009.12.067
BindingDB Entry DOI: 10.7270/Q2R78F99
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50306828
PNG
(CHEMBL601659 | N-(Cyclohexylmethyl)-N-[3-(4-phenyl...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1ccccc1)CC1CCCCC1
Show InChI InChI=1S/C26H36FN3O2S/c27-24-12-14-26(15-13-24)33(31,32)30(22-23-8-3-1-4-9-23)17-7-16-28-18-20-29(21-19-28)25-10-5-2-6-11-25/h2,5-6,10-15,23H,1,3-4,7-9,16-22H2
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n/an/a 13.2n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in avCHO-K1 cells


Bioorg Med Chem 18: 1665-75 (2010)


Article DOI: 10.1016/j.bmc.2009.12.067
BindingDB Entry DOI: 10.7270/Q2R78F99
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50306831
PNG
(CHEMBL600822 | N-(Cyclohexylmethyl)-4-methoxy-N-(3...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1ccccc1OC)CC1CCCCC1
Show InChI InChI=1S/C28H41N3O4S/c1-34-25-13-15-26(16-14-25)36(32,33)31(23-24-9-4-3-5-10-24)18-8-17-29-19-21-30(22-20-29)27-11-6-7-12-28(27)35-2/h6-7,11-16,24H,3-5,8-10,17-23H2,1-2H3
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n/an/a 16.3n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in avCHO-K1 cells


Bioorg Med Chem 18: 1665-75 (2010)


Article DOI: 10.1016/j.bmc.2009.12.067
BindingDB Entry DOI: 10.7270/Q2R78F99
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50260540
PNG
(CHEMBL495212 | Naphthalene-2-sulfonic acid {3-[4-(...)
Show SMILES Clc1ccc(cc1Cl)N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C23H25Cl2N3O2S/c24-22-9-7-20(17-23(22)25)28-14-12-27(13-15-28)11-3-10-26-31(29,30)21-8-6-18-4-1-2-5-19(18)16-21/h1-2,4-9,16-17,26H,3,10-15H2
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n/an/a 19n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in CHOK1 cell membrane


Bioorg Med Chem 16: 5405-12 (2008)


Article DOI: 10.1016/j.bmc.2008.04.023
BindingDB Entry DOI: 10.7270/Q2RX9BVH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50306832
PNG
(CHEMBL601022 | N-(Cyclohexylmethyl)-4-methoxy-N-(3...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1cccc(c1)C(F)(F)F)CC1CCCCC1
Show InChI InChI=1S/C28H38F3N3O3S/c1-37-26-11-13-27(14-12-26)38(35,36)34(22-23-7-3-2-4-8-23)16-6-15-32-17-19-33(20-18-32)25-10-5-9-24(21-25)28(29,30)31/h5,9-14,21,23H,2-4,6-8,15-20,22H2,1H3
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n/an/a 19.5n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in avCHO-K1 cells


Bioorg Med Chem 18: 1665-75 (2010)


Article DOI: 10.1016/j.bmc.2009.12.067
BindingDB Entry DOI: 10.7270/Q2R78F99
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50147178
PNG
((Z)-Octadec-9-enoic acid phenylamide | CHEMBL15611...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C24H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(26)25-23-20-17-16-18-21-23/h9-10,16-18,20-21H,2-8,11-15,19,22H2,1H3,(H,25,26)/b10-9-
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n/an/a 20n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver microsomal Acyl coenzyme A:cholesterol acyltransferase


Bioorg Med Chem Lett 14: 4277-80 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.086
BindingDB Entry DOI: 10.7270/Q261113Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50261126
PNG
(CHEMBL497749 | N-(3-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C24H29N3O3S/c1-30-24-10-5-4-9-23(24)27-17-15-26(16-18-27)14-6-13-25-31(28,29)22-12-11-20-7-2-3-8-21(20)19-22/h2-5,7-12,19,25H,6,13-18H2,1H3
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n/an/a 20n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHO cell membrane


Bioorg Med Chem 16: 5405-12 (2008)


Article DOI: 10.1016/j.bmc.2008.04.023
BindingDB Entry DOI: 10.7270/Q2RX9BVH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50306839
PNG
(CHEMBL601885 | N-(Cyclohexylmethyl)-N-[3-(4-(2-met...)
Show SMILES COc1ccccc1N1CCN(CCCN(CC2CCCCC2)S(=O)(=O)c2cccc3cccnc23)CC1
Show InChI InChI=1S/C30H40N4O3S/c1-37-28-15-6-5-14-27(28)33-22-20-32(21-23-33)18-9-19-34(24-25-10-3-2-4-11-25)38(35,36)29-16-7-12-26-13-8-17-31-30(26)29/h5-8,12-17,25H,2-4,9-11,18-24H2,1H3
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n/an/a 24n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHO cells


Bioorg Med Chem 18: 1665-75 (2010)


Article DOI: 10.1016/j.bmc.2009.12.067
BindingDB Entry DOI: 10.7270/Q2R78F99
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50306837
PNG
(CHEMBL602284 | N-(Cyclohexylmethyl)-N-(3-(4-(4-flu...)
Show SMILES Fc1ccc(cc1)N1CCN(CCCN(CC2CCCCC2)S(=O)(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C30H38FN3O2S/c31-28-12-14-29(15-13-28)33-21-19-32(20-22-33)17-6-18-34(24-25-7-2-1-3-8-25)37(35,36)30-16-11-26-9-4-5-10-27(26)23-30/h4-5,9-16,23,25H,1-3,6-8,17-22,24H2
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n/an/a 24n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human recombinant 5HT2C receptor expressed in CHO-K1 cells


Bioorg Med Chem 18: 1665-75 (2010)


Article DOI: 10.1016/j.bmc.2009.12.067
BindingDB Entry DOI: 10.7270/Q2R78F99
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50261124
PNG
(CHEMBL495678 | Naphthalene-2-sulfonic acid {3-[4-(...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C24H26F3N3O2S/c25-24(26,27)21-7-3-8-22(18-21)30-15-13-29(14-16-30)12-4-11-28-33(31,32)23-10-9-19-5-1-2-6-20(19)17-23/h1-3,5-10,17-18,28H,4,11-16H2
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n/an/a 29n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in CHOK1 cell membrane


Bioorg Med Chem 16: 5405-12 (2008)


Article DOI: 10.1016/j.bmc.2008.04.023
BindingDB Entry DOI: 10.7270/Q2RX9BVH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50306840
PNG
(CHEMBL601886 | N-(Cyclohexylmethyl)-N-[3-(4-(3-tri...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCN(CC2CCCCC2)S(=O)(=O)c2cccc3cccnc23)CC1
Show InChI InChI=1S/C30H37F3N4O2S/c31-30(32,33)26-12-5-13-27(22-26)36-20-18-35(19-21-36)16-7-17-37(23-24-8-2-1-3-9-24)40(38,39)28-14-4-10-25-11-6-15-34-29(25)28/h4-6,10-15,22,24H,1-3,7-9,16-21,23H2
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n/an/a 29.1n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in avCHO-K1 cells


Bioorg Med Chem 18: 1665-75 (2010)


Article DOI: 10.1016/j.bmc.2009.12.067
BindingDB Entry DOI: 10.7270/Q2R78F99
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50306832
PNG
(CHEMBL601022 | N-(Cyclohexylmethyl)-4-methoxy-N-(3...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1cccc(c1)C(F)(F)F)CC1CCCCC1
Show InChI InChI=1S/C28H38F3N3O3S/c1-37-26-11-13-27(14-12-26)38(35,36)34(22-23-7-3-2-4-8-23)16-6-15-32-17-19-33(20-18-32)25-10-5-9-24(21-25)28(29,30)31/h5,9-14,21,23H,2-4,6-8,15-20,22H2,1H3
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n/an/a 33n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human recombinant 5HT2C receptor expressed in CHO-K1 cells


Bioorg Med Chem 18: 1665-75 (2010)


Article DOI: 10.1016/j.bmc.2009.12.067
BindingDB Entry DOI: 10.7270/Q2R78F99
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50306838
PNG
(CHEMBL602285 | N-(Cyclohexylmethyl)-N-(3-(4-phenyl...)
Show SMILES O=S(=O)(N(CCCN1CCN(CC1)c1ccccc1)CC1CCCCC1)c1cccc2cccnc12
Show InChI InChI=1S/C29H38N4O2S/c34-36(35,28-16-7-12-26-13-8-17-30-29(26)28)33(24-25-10-3-1-4-11-25)19-9-18-31-20-22-32(23-21-31)27-14-5-2-6-15-27/h2,5-8,12-17,25H,1,3-4,9-11,18-24H2
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n/an/a 34.6n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in avCHO-K1 cells


Bioorg Med Chem 18: 1665-75 (2010)


Article DOI: 10.1016/j.bmc.2009.12.067
BindingDB Entry DOI: 10.7270/Q2R78F99
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50306821
PNG
(CHEMBL602889 | N-(Cyclopropylmethyl)-N-(3-(4-(4-fl...)
Show SMILES Fc1ccc(cc1)N1CCN(CCCN(CC2CC2)S(=O)(=O)c2cccc3cccnc23)CC1
Show InChI InChI=1S/C26H31FN4O2S/c27-23-9-11-24(12-10-23)30-18-16-29(17-19-30)14-3-15-31(20-21-7-8-21)34(32,33)25-6-1-4-22-5-2-13-28-26(22)25/h1-2,4-6,9-13,21H,3,7-8,14-20H2
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n/an/a 35.3n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHO cells


Bioorg Med Chem 18: 1665-75 (2010)


Article DOI: 10.1016/j.bmc.2009.12.067
BindingDB Entry DOI: 10.7270/Q2R78F99
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50306851
PNG
(CHEMBL602060 | N-(Cyclopropylmethyl)-N-(3-(4-pheny...)
Show SMILES O=S(=O)(N(CCCN1CCN(CC1)c1ccccc1)CC1CC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H33N3O2S/c31-33(32,27-14-13-24-7-4-5-8-25(24)21-27)30(22-23-11-12-23)16-6-15-28-17-19-29(20-18-28)26-9-2-1-3-10-26/h1-5,7-10,13-14,21,23H,6,11-12,15-20,22H2
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n/an/a 35.9n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in avCHO-K1 cells


Bioorg Med Chem 18: 1665-75 (2010)


Article DOI: 10.1016/j.bmc.2009.12.067
BindingDB Entry DOI: 10.7270/Q2R78F99
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50154705
PNG
(4-Methoxy-N-{3-[4-(2-methoxy-phenyl)-piperazin-1-y...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NCCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C21H29N3O4S/c1-27-18-8-10-19(11-9-18)29(25,26)22-12-5-13-23-14-16-24(17-15-23)20-6-3-4-7-21(20)28-2/h3-4,6-11,22H,5,12-17H2,1-2H3
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n/an/a 37n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHO cell membrane


Bioorg Med Chem 16: 5405-12 (2008)


Article DOI: 10.1016/j.bmc.2008.04.023
BindingDB Entry DOI: 10.7270/Q2RX9BVH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50306840
PNG
(CHEMBL601886 | N-(Cyclohexylmethyl)-N-[3-(4-(3-tri...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCN(CC2CCCCC2)S(=O)(=O)c2cccc3cccnc23)CC1
Show InChI InChI=1S/C30H37F3N4O2S/c31-30(32,33)26-12-5-13-27(22-26)36-20-18-35(19-21-36)16-7-17-37(23-24-8-2-1-3-9-24)40(38,39)28-14-4-10-25-11-6-15-34-29(25)28/h4-6,10-15,22,24H,1-3,7-9,16-21,23H2
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n/an/a 38.8n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human recombinant 5HT2C receptor expressed in CHO-K1 cells


Bioorg Med Chem 18: 1665-75 (2010)


Article DOI: 10.1016/j.bmc.2009.12.067
BindingDB Entry DOI: 10.7270/Q2R78F99
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50260644
PNG
(4-Methoxy-N-{3-[4-(m-trifluoromethylphenyl)-pipera...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(C)CCN1CCN(CC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H28F3N3O3S/c1-17(26-32(29,30)21-8-6-20(31-2)7-9-21)10-11-27-12-14-28(15-13-27)19-5-3-4-18(16-19)22(23,24)25/h3-9,16-17,26H,10-15H2,1-2H3
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n/an/a 39n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in CHOK1 cell membrane


Bioorg Med Chem 16: 5405-12 (2008)


Article DOI: 10.1016/j.bmc.2008.04.023
BindingDB Entry DOI: 10.7270/Q2RX9BVH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50261027
PNG
(4-Methoxy-N-{3-[4-(p-fluorophenyl)-piperazin-1-yl]...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NCCCN1CCN(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C20H26FN3O3S/c1-27-19-7-9-20(10-8-19)28(25,26)22-11-2-12-23-13-15-24(16-14-23)18-5-3-17(21)4-6-18/h3-10,22H,2,11-16H2,1H3
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n/an/a 39n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in CHOK1 cell membrane


Bioorg Med Chem 16: 5405-12 (2008)


Article DOI: 10.1016/j.bmc.2008.04.023
BindingDB Entry DOI: 10.7270/Q2RX9BVH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50306833
PNG
(CHEMBL605787 | N-(Cyclohexylmethyl)-N-(3-(4-(4-flu...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1ccc(F)cc1)CC1CCCCC1
Show InChI InChI=1S/C27H38FN3O3S/c1-34-26-12-14-27(15-13-26)35(32,33)31(22-23-6-3-2-4-7-23)17-5-16-29-18-20-30(21-19-29)25-10-8-24(28)9-11-25/h8-15,23H,2-7,16-22H2,1H3
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n/an/a 40n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human recombinant 5HT2C receptor expressed in CHO-K1 cells


Bioorg Med Chem 18: 1665-75 (2010)


Article DOI: 10.1016/j.bmc.2009.12.067
BindingDB Entry DOI: 10.7270/Q2R78F99
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50260981
PNG
(4-Methoxy-N-{3-[4-(m-trifluoromethylphenyl)-pipera...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NCCCN1CCN(CC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H26F3N3O3S/c1-30-19-6-8-20(9-7-19)31(28,29)25-10-3-11-26-12-14-27(15-13-26)18-5-2-4-17(16-18)21(22,23)24/h2,4-9,16,25H,3,10-15H2,1H3
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n/an/a 44n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in CHOK1 cell membrane


Bioorg Med Chem 16: 5405-12 (2008)


Article DOI: 10.1016/j.bmc.2008.04.023
BindingDB Entry DOI: 10.7270/Q2RX9BVH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50306829
PNG
(CHEMBL605582 | N-(Cyclohexylmethyl)-N-[3-(4-phenyl...)
Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1ccccc1)CC1CCCCC1
Show InChI InChI=1S/C26H36N4O4S/c31-30(32)25-12-14-26(15-13-25)35(33,34)29(22-23-8-3-1-4-9-23)17-7-16-27-18-20-28(21-19-27)24-10-5-2-6-11-24/h2,5-6,10-15,23H,1,3-4,7-9,16-22H2
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n/an/a 45.7n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human recombinant 5HT2C receptor expressed in CHO-K1 cells


Bioorg Med Chem 18: 1665-75 (2010)


Article DOI: 10.1016/j.bmc.2009.12.067
BindingDB Entry DOI: 10.7270/Q2R78F99
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50261027
PNG
(4-Methoxy-N-{3-[4-(p-fluorophenyl)-piperazin-1-yl]...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NCCCN1CCN(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C20H26FN3O3S/c1-27-19-7-9-20(10-8-19)28(25,26)22-11-2-12-23-13-15-24(16-14-23)18-5-3-17(21)4-6-18/h3-10,22H,2,11-16H2,1H3
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n/an/a 47n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHO cell membrane


Bioorg Med Chem 16: 5405-12 (2008)


Article DOI: 10.1016/j.bmc.2008.04.023
BindingDB Entry DOI: 10.7270/Q2RX9BVH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50306817
PNG
(CHEMBL600606 | N-(Cyclopropylmethyl)-N-(3-(4-(4-fl...)
Show SMILES Fc1ccc(cc1)N1CCN(CCCN(CC2CC2)S(=O)(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C27H32FN3O2S/c28-25-9-11-26(12-10-25)30-18-16-29(17-19-30)14-3-15-31(21-22-6-7-22)34(32,33)27-13-8-23-4-1-2-5-24(23)20-27/h1-2,4-5,8-13,20,22H,3,6-7,14-19,21H2
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n/an/a 49.6n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHO cells


Bioorg Med Chem 18: 1665-75 (2010)


Article DOI: 10.1016/j.bmc.2009.12.067
BindingDB Entry DOI: 10.7270/Q2R78F99
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50306826
PNG
(CHEMBL602882 | N-(Cyclohexylmethyl)-N-(3-(4-phenyl...)
Show SMILES O=S(=O)(N(CCCN1CCN(CC1)c1ccccc1)CC1CCCCC1)c1cccc2ccccc12
Show InChI InChI=1S/C30H39N3O2S/c34-36(35,30-18-9-14-27-13-7-8-17-29(27)30)33(25-26-11-3-1-4-12-26)20-10-19-31-21-23-32(24-22-31)28-15-5-2-6-16-28/h2,5-9,13-18,26H,1,3-4,10-12,19-25H2
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n/an/a 50.7n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human recombinant 5HT2C receptor expressed in CHO-K1 cells


Bioorg Med Chem 18: 1665-75 (2010)


Article DOI: 10.1016/j.bmc.2009.12.067
BindingDB Entry DOI: 10.7270/Q2R78F99
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50306817
PNG
(CHEMBL600606 | N-(Cyclopropylmethyl)-N-(3-(4-(4-fl...)
Show SMILES Fc1ccc(cc1)N1CCN(CCCN(CC2CC2)S(=O)(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C27H32FN3O2S/c28-25-9-11-26(12-10-25)30-18-16-29(17-19-30)14-3-15-31(21-22-6-7-22)34(32,33)27-13-8-23-4-1-2-5-24(23)20-27/h1-2,4-5,8-13,20,22H,3,6-7,14-19,21H2
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n/an/a 51n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in avCHO-K1 cells


Bioorg Med Chem 18: 1665-75 (2010)


Article DOI: 10.1016/j.bmc.2009.12.067
BindingDB Entry DOI: 10.7270/Q2R78F99
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50260533
PNG
(CHEMBL495445 | Naphthalene-2-sulfonic acid {3-[4-(...)
Show SMILES Fc1ccc(cc1)N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C23H26FN3O2S/c24-21-7-9-22(10-8-21)27-16-14-26(15-17-27)13-3-12-25-30(28,29)23-11-6-19-4-1-2-5-20(19)18-23/h1-2,4-11,18,25H,3,12-17H2
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n/an/a 53n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHO cell membrane


Bioorg Med Chem 16: 5405-12 (2008)


Article DOI: 10.1016/j.bmc.2008.04.023
BindingDB Entry DOI: 10.7270/Q2RX9BVH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50260981
PNG
(4-Methoxy-N-{3-[4-(m-trifluoromethylphenyl)-pipera...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NCCCN1CCN(CC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H26F3N3O3S/c1-30-19-6-8-20(9-7-19)31(28,29)25-10-3-11-26-12-14-27(15-13-26)18-5-2-4-17(16-18)21(22,23)24/h2,4-9,16,25H,3,10-15H2,1H3
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n/an/a 57n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human recombinant 5HT2C receptor expressed in CHOK1 cell membrane


Bioorg Med Chem 16: 5405-12 (2008)


Article DOI: 10.1016/j.bmc.2008.04.023
BindingDB Entry DOI: 10.7270/Q2RX9BVH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50306839
PNG
(CHEMBL601885 | N-(Cyclohexylmethyl)-N-[3-(4-(2-met...)
Show SMILES COc1ccccc1N1CCN(CCCN(CC2CCCCC2)S(=O)(=O)c2cccc3cccnc23)CC1
Show InChI InChI=1S/C30H40N4O3S/c1-37-28-15-6-5-14-27(28)33-22-20-32(21-23-33)18-9-19-34(24-25-10-3-2-4-11-25)38(35,36)29-16-7-12-26-13-8-17-31-30(26)29/h5-8,12-17,25H,2-4,9-11,18-24H2,1H3
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n/an/a 59.9n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in avCHO-K1 cells


Bioorg Med Chem 18: 1665-75 (2010)


Article DOI: 10.1016/j.bmc.2009.12.067
BindingDB Entry DOI: 10.7270/Q2R78F99
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50306834
PNG
(CHEMBL600012 | N-(Cyclohexylmethyl)-N-(3-(4-phenyl...)
Show SMILES O=S(=O)(N(CCCN1CCN(CC1)c1ccccc1)CC1CCCCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C30H39N3O2S/c34-36(35,30-17-16-27-12-7-8-13-28(27)24-30)33(25-26-10-3-1-4-11-26)19-9-18-31-20-22-32(23-21-31)29-14-5-2-6-15-29/h2,5-8,12-17,24,26H,1,3-4,9-11,18-23,25H2
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n/an/a 65n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human recombinant 5HT2C receptor expressed in CHO-K1 cells


Bioorg Med Chem 18: 1665-75 (2010)


Article DOI: 10.1016/j.bmc.2009.12.067
BindingDB Entry DOI: 10.7270/Q2R78F99
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50306836
PNG
(CHEMBL602087 | N-(Cyclohexylmethyl)-N-(3-(4-(3-(tr...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCN(CC2CCCCC2)S(=O)(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C31H38F3N3O2S/c32-31(33,34)28-12-6-13-29(23-28)36-20-18-35(19-21-36)16-7-17-37(24-25-8-2-1-3-9-25)40(38,39)30-15-14-26-10-4-5-11-27(26)22-30/h4-6,10-15,22-23,25H,1-3,7-9,16-21,24H2
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n/an/a 66n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human recombinant 5HT2C receptor expressed in CHO-K1 cells


Bioorg Med Chem 18: 1665-75 (2010)


Article DOI: 10.1016/j.bmc.2009.12.067
BindingDB Entry DOI: 10.7270/Q2R78F99
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50306842
PNG
(CHEMBL604952 | N-(Cyclohexylmethyl)-N-[3-(4-(3,4-d...)
Show SMILES Clc1ccc(cc1Cl)N1CCN(CCCN(CC2CCCCC2)S(=O)(=O)c2cccc3cccnc23)CC1
Show InChI InChI=1S/C29H36Cl2N4O2S/c30-26-13-12-25(21-27(26)31)34-19-17-33(18-20-34)15-6-16-35(22-23-7-2-1-3-8-23)38(36,37)28-11-4-9-24-10-5-14-32-29(24)28/h4-5,9-14,21,23H,1-3,6-8,15-20,22H2
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n/an/a 66.5n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human recombinant 5HT2C receptor expressed in CHO-K1 cells


Bioorg Med Chem 18: 1665-75 (2010)


Article DOI: 10.1016/j.bmc.2009.12.067
BindingDB Entry DOI: 10.7270/Q2R78F99
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50306835
PNG
(CHEMBL600210 | N-(Cyclohexylmethyl)-N-(3-(4-(2-met...)
Show SMILES COc1ccccc1N1CCN(CCCN(CC2CCCCC2)S(=O)(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C31H41N3O3S/c1-37-31-15-8-7-14-30(31)33-22-20-32(21-23-33)18-9-19-34(25-26-10-3-2-4-11-26)38(35,36)29-17-16-27-12-5-6-13-28(27)24-29/h5-8,12-17,24,26H,2-4,9-11,18-23,25H2,1H3
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n/an/a 70n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human recombinant 5HT2C receptor expressed in CHO-K1 cells


Bioorg Med Chem 18: 1665-75 (2010)


Article DOI: 10.1016/j.bmc.2009.12.067
BindingDB Entry DOI: 10.7270/Q2R78F99
More data for this
Ligand-Target Pair
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