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Compile Data Set for Download or QSAR

Found 861 hits of ic50 data for polymerid = 4221,50004069,7883   
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))
BDBM117016
PNG
(US8664258, 32)
Show SMILES Cn1nccc1-c1cc(NC(=O)C(=O)c2ccc(F)cc2)ccc1OCCN
Show InChI InChI=1S/C20H19FN4O3/c1-25-17(8-10-23-25)16-12-15(6-7-18(16)28-11-9-22)24-20(27)19(26)13-2-4-14(21)5-3-13/h2-8,10,12H,9,11,22H2,1H3,(H,24,27)
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US Patent
n/an/a 0.0250n/an/an/an/a7.425



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding assays for human 5-HT2A receptor was conducted using the 5-HT2 agonist [125]DOI as radioligand. To define nonspecific binding, 10...


US Patent US8664258 (2014)


BindingDB Entry DOI: 10.7270/Q2WQ02G1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50001775
PNG
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)
Show SMILES Cc1nc2sccn2c(=O)c1CCN1CCC(CC1)=C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
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n/an/a 0.0690n/an/an/an/an/an/a



ACADIA Pharmaceuticals Inc.



Assay Description
R-SAT assays were performed as described previously (Weiner et al., 2001), with the following modifications. In brief, NIH-3T3 cells were grown to 80...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM119676
PNG
(US8680119, 15)
Show SMILES COCCNCCOc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1c(Cl)cnn1C
Show InChI InChI=1S/C23H24ClF3N4O3/c1-31-21(19(24)14-29-31)18-13-17(6-7-20(18)34-11-9-28-8-10-33-2)30-22(32)15-4-3-5-16(12-15)23(25,26)27/h3-7,12-14,28H,8-11H2,1-2H3,(H,30,32)
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n/an/a 0.0820n/an/an/an/a7.4n/a



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding assays for human 5-HT2A receptor was conducted using the 5-HT2 agonist [125I]DOI as radioligand. To define nonspecific binding, 1...


US Patent US8680119 (2014)


BindingDB Entry DOI: 10.7270/Q2RV0MB0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM117019
PNG
(US8664258, 303)
Show SMILES Cn1ncc(Cl)c1-c1cc(NC(=O)C2CCC(CC2)C(F)(F)F)ccc1OCCN
Show InChI InChI=1S/C20H24ClF3N4O2/c1-28-18(16(21)11-26-28)15-10-14(6-7-17(15)30-9-8-25)27-19(29)12-2-4-13(5-3-12)20(22,23)24/h6-7,10-13H,2-5,8-9,25H2,1H3,(H,27,29)
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n/an/a 0.260n/an/an/an/a7.425



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding assays for human 5-HT2A receptor was conducted using the 5-HT2 agonist [125]DOI as radioligand. To define nonspecific binding, 10...


US Patent US8664258 (2014)


BindingDB Entry DOI: 10.7270/Q2WQ02G1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM86525
PNG
(AMI-193 | CAS_77445 | CHEMBL79834 | NSC_77445)
Show SMILES Fc1ccc(OCCCN2CCC3(CC2)N(CNC3=O)c2ccccc2)cc1
Show InChI InChI=1S/C22H26FN3O2/c23-18-7-9-20(10-8-18)28-16-4-13-25-14-11-22(12-15-25)21(27)24-17-26(22)19-5-2-1-3-6-19/h1-3,5-10H,4,11-17H2,(H,24,27)
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n/an/a 0.316n/an/an/an/an/an/a



ACADIA Pharmaceuticals A/S

Curated by ChEMBL


Assay Description
Compound was evaluated for its inverse agonist activity against 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 10: 2435-9 (2001)


Article DOI: 10.1016/s0960-894x(00)00483-2
BindingDB Entry DOI: 10.7270/Q2V69HTT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50048803
PNG
(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
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n/an/a 0.420n/an/an/an/an/an/a



Organon Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against 5-hydroxytryptamine 2 receptor


J Med Chem 48: 6523-43 (2005)


Article DOI: 10.1021/jm058225d
BindingDB Entry DOI: 10.7270/Q2SF2WZ9
More data for this
Ligand-Target Pair
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))
BDBM119679
PNG
(US8680119, 68)
Show SMILES COc1cccc(c1)C(=O)Nc1ccc(OCCO)c(c1)-c1c(Cl)cnn1C
Show InChI InChI=1S/C20H20ClN3O4/c1-24-19(17(21)12-22-24)16-11-14(6-7-18(16)28-9-8-25)23-20(26)13-4-3-5-15(10-13)27-2/h3-7,10-12,25H,8-9H2,1-2H3,(H,23,26)
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n/an/a 0.510n/an/an/an/a7.4n/a



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding assays for human 5-HT2A receptor was conducted using the 5-HT2 agonist [125I]DOI as radioligand. To define nonspecific binding, 1...


US Patent US8680119 (2014)


BindingDB Entry DOI: 10.7270/Q2RV0MB0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM21395
PNG
(3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
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n/an/a 0.520n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor in HEK293 cells after 60 mins by scintillation counting


J Med Chem 60: 349-361 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01422
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50172414
PNG
(2-(2,4-Dichloro-phenoxy)-N-[2-(2-dimethylamino-eth...)
Show SMILES CN(C)CCOc1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc2n1
Show InChI InChI=1S/C22H23Cl2N3O3/c1-14-10-22(29-9-8-27(2)3)26-19-6-5-16(12-17(14)19)25-21(28)13-30-20-7-4-15(23)11-18(20)24/h4-7,10-12H,8-9,13H2,1-3H3,(H,25,28)
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n/an/a 0.610n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against 5-hydroxytryptamine 2A receptor


J Med Chem 48: 5684-97 (2005)


Article DOI: 10.1021/jm050103y
BindingDB Entry DOI: 10.7270/Q2H41QZ8
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))
BDBM50194847
PNG
(CHEMBL221250 | N-(1-ethylcyclopentyl)-7-(4-fluorop...)
Show SMILES CCC1(CCCC1)N=C1CC(=NCCN1)c1ccc(F)cc1
Show InChI InChI=1S/C18H24FN3/c1-2-18(9-3-4-10-18)22-17-13-16(20-11-12-21-17)14-5-7-15(19)8-6-14/h5-8H,2-4,9-13H2,1H3,(H,21,22)
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n/an/a 0.800n/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 6058-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.108
BindingDB Entry DOI: 10.7270/Q2D79B26
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM139371
PNG
(eplivanserin)
Show SMILES CN(C)CCON\C(=C\C=C1C=CC(=O)C=C1)c1ccccc1F
Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,21H,13-14H2,1-2H3/b19-12+
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n/an/a 1n/an/an/an/an/an/a



ACADIA Pharmaceuticals Inc.



Assay Description
R-SAT assays were performed as described previously (Weiner et al., 2001), with the following modifications. In brief, NIH-3T3 cells were grown to 80...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM117018
PNG
(US8664258, 197)
Show SMILES Cn1ncc(Cl)c1-c1cc(NC(=O)c2ccc(F)c(c2)C(F)(F)F)ccc1OCCN
Show InChI InChI=1S/C20H17ClF4N4O2/c1-29-18(15(21)10-27-29)13-9-12(3-5-17(13)31-7-6-26)28-19(30)11-2-4-16(22)14(8-11)20(23,24)25/h2-5,8-10H,6-7,26H2,1H3,(H,28,30)
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n/an/a 1n/an/an/an/a7.425



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding assays for human 5-HT2A receptor was conducted using the 5-HT2 agonist [125]DOI as radioligand. To define nonspecific binding, 10...


US Patent US8664258 (2014)


BindingDB Entry DOI: 10.7270/Q2WQ02G1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50403974
PNG
(CHEMBL84931)
Show SMILES CN(C)CC1CC2N(O1)c1cc(F)ccc1Cc1ccccc21
Show InChI InChI=1S/C19H21FN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9-14-7-8-15(20)10-18(14)22(19)23-16/h3-8,10,16,19H,9,11-12H2,1-2H3
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n/an/a 1.10n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 2A receptor expressed in L929 cells by [125I]R91150 displacement.


Bioorg Med Chem Lett 12: 249-53 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q2ZW1N3V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50194829
PNG
(7-(2,4-difluorophenyl)-N-(1-ethylcyclopentyl)-2,3-...)
Show SMILES CCC1(CCCC1)N=C1CC(=NCCN1)c1ccc(F)cc1F
Show InChI InChI=1S/C18H23F2N3/c1-2-18(7-3-4-8-18)23-17-12-16(21-9-10-22-17)14-6-5-13(19)11-15(14)20/h5-6,11H,2-4,7-10,12H2,1H3,(H,22,23)
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n/an/a 1.10n/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 6058-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.108
BindingDB Entry DOI: 10.7270/Q2D79B26
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50232153
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(2,3-dimethox...)
Show SMILES COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3
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n/an/a 1.10n/an/an/an/an/an/a



ACADIA Pharmaceuticals Inc.



Assay Description
R-SAT assays were performed as described previously (Weiner et al., 2001), with the following modifications. In brief, NIH-3T3 cells were grown to 80...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50246480
PNG
(1-(4-chloro-2-(p-tolyloxy)phenyl)-N-methylmethanam...)
Show SMILES CNCc1ccc(Cl)cc1Oc1ccc(C)cc1
Show InChI InChI=1S/C15H16ClNO/c1-11-3-7-14(8-4-11)18-15-9-13(16)6-5-12(15)10-17-2/h3-9,17H,10H2,1-2H3
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n/an/a 1.18n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor (unknown origin)


Bioorg Med Chem Lett 18: 6088-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.028
BindingDB Entry DOI: 10.7270/Q2RJ4JBK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM117020
PNG
(US8664258, 77)
Show SMILES Cn1ncc(Cl)c1-c1cc(NC(=O)C(=O)c2cc(Br)cs2)ccc1OCCN
Show InChI InChI=1S/C18H16BrClN4O3S/c1-24-16(13(20)8-22-24)12-7-11(2-3-14(12)27-5-4-21)23-18(26)17(25)15-6-10(19)9-28-15/h2-3,6-9H,4-5,21H2,1H3,(H,23,26)
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n/an/a 1.20n/an/an/an/a7.425



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding assays for human 5-HT2A receptor was conducted using the 5-HT2 agonist [125]DOI as radioligand. To define nonspecific binding, 10...


US Patent US8664258 (2014)


BindingDB Entry DOI: 10.7270/Q2WQ02G1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50194836
PNG
(CHEMBL436513 | N-(2-cyclobutylpropan-2-yl)-7-(2,4-...)
Show SMILES CC(C)(N=C1CC(=NCCN1)c1ccc(F)cc1F)C1CCC1
Show InChI InChI=1S/C18H23F2N3/c1-18(2,12-4-3-5-12)23-17-11-16(21-8-9-22-17)14-7-6-13(19)10-15(14)20/h6-7,10,12H,3-5,8-9,11H2,1-2H3,(H,22,23)
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n/an/a 1.40n/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 6058-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.108
BindingDB Entry DOI: 10.7270/Q2D79B26
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50194832
PNG
(7-(4-fluorophenyl)-N-(3-methylpentan-3-yl)-2,3-dih...)
Show SMILES CCC(C)(CC)NC1=NCCN=C(C1)c1ccc(F)cc1
Show InChI InChI=1S/C17H24FN3/c1-4-17(3,5-2)21-16-12-15(19-10-11-20-16)13-6-8-14(18)9-7-13/h6-9H,4-5,10-12H2,1-3H3,(H,20,21)
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n/an/a 1.5n/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 6058-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.108
BindingDB Entry DOI: 10.7270/Q2D79B26
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50194850
PNG
(7-(4-fluorophenyl)-N-(1-methylcyclohexyl)-2,3-dihy...)
Show SMILES CC1(CCCCC1)NC1=NCCN=C(C1)c1ccc(F)cc1
Show InChI InChI=1S/C18H24FN3/c1-18(9-3-2-4-10-18)22-17-13-16(20-11-12-21-17)14-5-7-15(19)8-6-14/h5-8H,2-4,9-13H2,1H3,(H,21,22)
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n/an/a 1.60n/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 6058-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.108
BindingDB Entry DOI: 10.7270/Q2D79B26
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM319751
PNG
(6-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethy...)
Show SMILES Nc1nc2ccc(CCN3CCN(CC3)c3cccc4sccc34)cc2s1
Show InChI InChI=1S/C21H22N4S2/c22-21-23-17-5-4-15(14-20(17)27-21)6-8-24-9-11-25(12-10-24)18-2-1-3-19-16(18)7-13-26-19/h1-5,7,13-14H,6,8-12H2,(H2,22,23)
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n/an/a 1.61n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The 5-HT2A receptor antagonism activity test (The antagonism activity of test compounds on 5-HT2A receptor expressing human recombinant 5-HT2A recept...


US Patent US10174011 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM319706
PNG
(7-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethy...)
Show SMILES O=S1(=O)NCCc2ccc(CCN3CCN(CC3)c3cccc4sccc34)cc12
Show InChI InChI=1S/C22H25N3O2S2/c26-29(27)22-16-17(4-5-18(22)6-9-23-29)7-10-24-11-13-25(14-12-24)20-2-1-3-21-19(20)8-15-28-21/h1-5,8,15-16,23H,6-7,9-14H2
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n/an/a 1.67n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The 5-HT2A receptor antagonism activity test (The antagonism activity of test compounds on 5-HT2A receptor expressing human recombinant 5-HT2A recept...


US Patent US10174011 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM319610
PNG
((+)-3-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)...)
Show SMILES Cc1nc2C(O)CCCn2c(=O)c1CCN1CCN(CC1)c1cccc2sccc12
Show InChI InChI=1S/C23H28N4O2S/c1-16-17(23(29)27-9-3-5-20(28)22(27)24-16)7-10-25-11-13-26(14-12-25)19-4-2-6-21-18(19)8-15-30-21/h2,4,6,8,15,20,28H,3,5,7,9-14H2,1H3
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n/an/a 1.72n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The 5-HT2A receptor antagonism activity test (The antagonism activity of test compounds on 5-HT2A receptor expressing human recombinant 5-HT2A recept...


US Patent US10174011 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50403964
PNG
(CHEMBL310183 | R-95292)
Show SMILES CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Oc1ccccc21
Show InChI InChI=1S/C18H19ClN2O2/c1-20(2)11-13-10-15-14-5-3-4-6-17(14)22-18-8-7-12(19)9-16(18)21(15)23-13/h3-9,13,15H,10-11H2,1-2H3
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n/an/a 1.90n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 2A receptor expressed in L929 cells using [125I]R91150 as radioligand


Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM139370
PNG
(ACP-103 | Nuplazid | Pimavanserin | Pimavanserin h...)
Show SMILES CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1
Show InChI InChI=1S/C25H34FN3O2/c1-19(2)18-31-24-10-6-20(7-11-24)16-27-25(30)29(23-12-14-28(3)15-13-23)17-21-4-8-22(26)9-5-21/h4-11,19,23H,12-18H2,1-3H3,(H,27,30)
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n/an/a 1.90n/an/an/an/an/an/a



ACADIA Pharmaceuticals Inc.



Assay Description
R-SAT assays were performed as described previously (Weiner et al., 2001), with the following modifications. In brief, NIH-3T3 cells were grown to 80...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50301509
PNG
(1-(3-(4-bromo-1-methyl-1H-pyrazol-5-yl)-4-(2-(pyrr...)
Show SMILES Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCC1
Show InChI InChI=1S/C23H25BrClN5O2/c1-29-22(20(24)15-26-29)19-14-18(28-23(31)27-17-6-4-16(25)5-7-17)8-9-21(19)32-13-12-30-10-2-3-11-30/h4-9,14-15H,2-3,10-13H2,1H3,(H2,27,28,31)
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n/an/a 1.90n/an/an/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2A receptor expressed in HEK cells assessed as inhibition of serotonin-induced inositol phosphate accumulation


Bioorg Med Chem Lett 19: 5486-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50194828
PNG
(CHEMBL218589 | N-(2-methyl-1-phenylpropan-2-yl)-7-...)
Show SMILES Cc1ccc(cc1)C1=NCCN=C(C1)NC(C)(C)Cc1ccccc1
Show InChI InChI=1S/C22H27N3/c1-17-9-11-19(12-10-17)20-15-21(24-14-13-23-20)25-22(2,3)16-18-7-5-4-6-8-18/h4-12H,13-16H2,1-3H3,(H,24,25)
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n/an/a 2.40n/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 6058-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.108
BindingDB Entry DOI: 10.7270/Q2D79B26
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM21395
PNG
(3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
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n/an/a 2.60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human 5-HT2A receptor


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
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))
BDBM319609
PNG
(3-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethy...)
Show SMILES Cc1nc2C(O)CCCn2c(=O)c1CCN1CCN(CC1)c1cccc2sccc12
Show InChI InChI=1S/C23H28N4O2S/c1-16-17(23(29)27-9-3-5-20(28)22(27)24-16)7-10-25-11-13-26(14-12-25)19-4-2-6-21-18(19)8-15-30-21/h2,4,6,8,15,20,28H,3,5,7,9-14H2,1H3
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n/an/a 2.90n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The 5-HT2A receptor antagonism activity test (The antagonism activity of test compounds on 5-HT2A receptor expressing human recombinant 5-HT2A recept...


US Patent US10174011 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50403978
PNG
(CHEMBL85735)
Show SMILES CN(C)CC1CC2N(O1)c1cc(C)ccc1Cc1ccccc21
Show InChI InChI=1S/C20H24N2O/c1-14-8-9-16-11-15-6-4-5-7-18(15)20-12-17(13-21(2)3)23-22(20)19(16)10-14/h4-10,17,20H,11-13H2,1-3H3
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n/an/a 3.10n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 2A receptor expressed in L929 cells by [125I]R91150 displacement.


Bioorg Med Chem Lett 12: 249-53 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q2ZW1N3V
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))
BDBM50246134
PNG
(1-(4-chloro-2-(3,4-dimethylphenoxy)phenyl)-N-methy...)
Show SMILES CNCc1ccc(Cl)cc1Oc1ccc(C)c(C)c1
Show InChI InChI=1S/C16H18ClNO/c1-11-4-7-15(8-12(11)2)19-16-9-14(17)6-5-13(16)10-18-3/h4-9,18H,10H2,1-3H3
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n/an/a 3.42n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor (unknown origin)


Bioorg Med Chem Lett 18: 6088-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.028
BindingDB Entry DOI: 10.7270/Q2RJ4JBK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM319611
PNG
((−)-3-(2-(4-(benzo[b]thiophen-4-yl)piperazin...)
Show SMILES Cc1nc2C(O)CCCn2c(=O)c1CCN1CCN(CC1)c1cccc2sccc12
Show InChI InChI=1S/C23H28N4O2S/c1-16-17(23(29)27-9-3-5-20(28)22(27)24-16)7-10-25-11-13-26(14-12-25)19-4-2-6-21-18(19)8-15-30-21/h2,4,6,8,15,20,28H,3,5,7,9-14H2,1H3
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n/an/a 3.46n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The 5-HT2A receptor antagonism activity test (The antagonism activity of test compounds on 5-HT2A receptor expressing human recombinant 5-HT2A recept...


US Patent US10174011 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50403975
PNG
(CHEMBL315772)
Show SMILES CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Cc1ccccc21
Show InChI InChI=1S/C19H21ClN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9-14-7-8-15(20)10-18(14)22(19)23-16/h3-8,10,16,19H,9,11-12H2,1-2H3
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n/an/a 3.5n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 2A receptor expressed in L929 cells by [125I]R91150 displacement.


Bioorg Med Chem Lett 12: 249-53 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q2ZW1N3V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM21395
PNG
(3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
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n/an/a 3.5n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in HEK293 cells measured after 60 mins by scintillation counting metho...


Bioorg Med Chem 25: 471-482 (2017)


Article DOI: 10.1016/j.bmc.2016.11.014
BindingDB Entry DOI: 10.7270/Q2CF9S3S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM21395
PNG
(3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
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n/an/a 3.5n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in HEK293 cells


Bioorg Med Chem 24: 1793-810 (2016)


Article DOI: 10.1016/j.bmc.2016.03.006
BindingDB Entry DOI: 10.7270/Q2J67JS7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50403975
PNG
(CHEMBL315772)
Show SMILES CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Cc1ccccc21
Show InChI InChI=1S/C19H21ClN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9-14-7-8-15(20)10-18(14)22(19)23-16/h3-8,10,16,19H,9,11-12H2,1-2H3
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n/an/a 3.5n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 12: 3573-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00796-5
BindingDB Entry DOI: 10.7270/Q26M384X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50246532
PNG
(1-(4-chloro-2-(p-tolyloxy)phenyl)-N-methylethanami...)
Show SMILES CNC(C)c1ccc(Cl)cc1Oc1ccc(C)cc1
Show InChI InChI=1S/C16H18ClNO/c1-11-4-7-14(8-5-11)19-16-10-13(17)6-9-15(16)12(2)18-3/h4-10,12,18H,1-3H3
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n/an/a 3.54n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor (unknown origin)


Bioorg Med Chem Lett 18: 6088-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.028
BindingDB Entry DOI: 10.7270/Q2RJ4JBK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50194842
PNG
(CHEMBL386613 | N-(1-ethylcyclopentyl)-7-(2-fluorop...)
Show SMILES CCC1(CCCC1)NC1=NCCN=C(C1)c1ccccc1F
Show InChI InChI=1S/C18H24FN3/c1-2-18(9-5-6-10-18)22-17-13-16(20-11-12-21-17)14-7-3-4-8-15(14)19/h3-4,7-8H,2,5-6,9-13H2,1H3,(H,21,22)
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n/an/a 3.60n/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 6058-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.108
BindingDB Entry DOI: 10.7270/Q2D79B26
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50194845
PNG
(7-(2,4-difluorophenyl)-N-(3-ethylpentan-3-yl)-2,3-...)
Show SMILES CCC(CC)(CC)NC1=NCCN=C(C1)c1ccc(F)cc1F
Show InChI InChI=1S/C18H25F2N3/c1-4-18(5-2,6-3)23-17-12-16(21-9-10-22-17)14-8-7-13(19)11-15(14)20/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,22,23)
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n/an/a 3.70n/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 6058-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.108
BindingDB Entry DOI: 10.7270/Q2D79B26
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50194853
PNG
(7-(2-fluorophenyl)-N-(2-methyl-1-phenylpropan-2-yl...)
Show SMILES CC(C)(Cc1ccccc1)NC1=NCCN=C(C1)c1ccccc1F
Show InChI InChI=1S/C21H24FN3/c1-21(2,15-16-8-4-3-5-9-16)25-20-14-19(23-12-13-24-20)17-10-6-7-11-18(17)22/h3-11H,12-15H2,1-2H3,(H,24,25)
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n/an/a 3.80n/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 6058-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.108
BindingDB Entry DOI: 10.7270/Q2D79B26
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50403973
PNG
(CHEMBL310018)
Show SMILES CN(C)CCCC1CC2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C21H26N2O/c1-22(2)13-7-10-18-15-21-19-11-5-3-8-16(19)14-17-9-4-6-12-20(17)23(21)24-18/h3-6,8-9,11-12,18,21H,7,10,13-15H2,1-2H3
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n/an/a 3.90n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 2A receptor expressed in L929 cells using [125I]R91150 as radioligand


Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM269506
PNG
((4-(2-chlorophenethyl)piperazin-1- yl)(imidazo[1,2...)
Show SMILES Clc1ccccc1CCN1CCN(CC1)C(=O)c1cccn2ccnc12
Show InChI InChI=1S/C20H21ClN4O/c21-18-6-2-1-4-16(18)7-10-23-12-14-25(15-13-23)20(26)17-5-3-9-24-11-8-22-19(17)24/h1-6,8-9,11H,7,10,12-15H2
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US Patent
n/an/a 4n/an/an/an/a7.425



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding assays for human 5-HT2A serotonin receptor were conducted using the 5-HT2 agonist [125I]DOI as radioligand. To define nonspecific...


US Patent US9567327 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM269506
PNG
((4-(2-chlorophenethyl)piperazin-1- yl)(imidazo[1,2...)
Show SMILES Clc1ccccc1CCN1CCN(CC1)C(=O)c1cccn2ccnc12
Show InChI InChI=1S/C20H21ClN4O/c21-18-6-2-1-4-16(18)7-10-23-12-14-25(15-13-23)20(26)17-5-3-9-24-11-8-22-19(17)24/h1-6,8-9,11H,7,10,12-15H2
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n/an/a 4n/an/an/an/a7.425



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding assays for human 5-HT2A serotonin receptor were conducted using the 5-HT2 agonist [125I]DOI as radioligand. To define nonspecific...


US Patent US10058549 (2018)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50313272
PNG
(CHEMBL1088314 | N-(3-(4-(2,3-dichlorophenyl)pipera...)
Show SMILES Cc1c(cc(-c2ccccc2)n1-c1ccc(F)cc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C31H31Cl2FN4O/c1-22-26(21-29(23-7-3-2-4-8-23)38(22)25-13-11-24(34)12-14-25)31(39)35-15-6-16-36-17-19-37(20-18-36)28-10-5-9-27(32)30(28)33/h2-5,7-14,21H,6,15-20H2,1H3,(H,35,39)
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n/an/a 4.10n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cells after 60 mins


Bioorg Med Chem Lett 20: 1705-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.093
BindingDB Entry DOI: 10.7270/Q2SN093C
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 2A


(Homo sapiens (Human))
BDBM119677
PNG
(US8680119, 52)
Show SMILES COCCOc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1ccnn1C
Show InChI InChI=1S/C21H20F3N3O3/c1-27-18(8-9-25-27)17-13-16(6-7-19(17)30-11-10-29-2)26-20(28)14-4-3-5-15(12-14)21(22,23)24/h3-9,12-13H,10-11H2,1-2H3,(H,26,28)
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n/an/a 4.40n/an/an/an/a7.4n/a



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding assays for human 5-HT2A receptor was conducted using the 5-HT2 agonist [125I]DOI as radioligand. To define nonspecific binding, 1...


US Patent US8680119 (2014)


BindingDB Entry DOI: 10.7270/Q2RV0MB0
More data for this
Ligand-Target Pair
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