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Compile Data Set for Download or QSAR

Found 343 hits Enz. Inhib. hit(s) with Target = 'Serotonin 2a (5-HT2a) receptor'   
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-HT2


(PIG)
BDBM30704
PNG
((phenylmethyl) N-[[(6aR,9S,10aR)-4,7-dimethyl-6,6a...)
Show SMILES CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1cn(C)c3cccc2c13
Show InChI InChI=1S/C25H29N3O2/c1-27-14-18(13-26-25(29)30-16-17-7-4-3-5-8-17)11-21-20-9-6-10-22-24(20)19(12-23(21)27)15-28(22)2/h3-10,15,18,21,23H,11-14,16H2,1-2H3,(H,26,29)/t18-,21+,23+/m0/s1
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0.370n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM84933
PNG
(6-Methyl-N-cyclohexylergoline-8-beta-carboxamide |...)
Show SMILES CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)NC1CCCCC1
Show InChI InChI=1S/C22H29N3O/c1-25-13-15(22(26)24-16-6-3-2-4-7-16)10-18-17-8-5-9-19-21(17)14(12-23-19)11-20(18)25/h5,8-9,12,15-16,18,20,23H,2-4,6-7,10-11,13H2,1H3,(H,24,26)/t15-,18-,20-/m1/s1
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3.60n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM81446
PNG
(CAS_60-79-7 | ERGONOVINE | NSC_104873)
Show SMILES CC(CO)NC(=O)C1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34
Show InChI InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24)
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3.80n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM84935
PNG
(LY 86057 | LY86057)
Show SMILES CC(O)C(C)OC(=O)C1CC2C(Cc3c[nH]c4cccc2c34)N(C)C1
Show InChI InChI=1S/C20H26N2O3/c1-11(23)12(2)25-20(24)14-7-16-15-5-4-6-17-19(15)13(9-21-17)8-18(16)22(3)10-14/h4-6,9,11-12,14,16,18,21,23H,7-8,10H2,1-3H3
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4.60n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
Serotonin 2a (5-HT2a) receptor


(BOVINE)
BDBM50005836
PNG
(4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...)
Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)
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7.20n/an/an/an/an/an/an/an/a



Sandoz Pharma Limited

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity at 5- HT2 receptor


J Med Chem 38: 2326-30 (1995)


Article DOI: 10.1021/jm00013a009
BindingDB Entry DOI: 10.7270/Q2W959VM
More data for this
Ligand-Target Pair
Serotonin 2a (5-HT2a) receptor


(BOVINE)
BDBM50070514
PNG
((S)-3-{2-[4-(3,4-Dimethyl-phenyl)-piperazin-1-yl]-...)
Show SMILES Cc1ccc(cc1C)N1CCN(CC[C@@H]2NC(=O)c3ccccc23)CC1
Show InChI InChI=1S/C22H27N3O/c1-16-7-8-18(15-17(16)2)25-13-11-24(12-14-25)10-9-21-19-5-3-4-6-20(19)22(26)23-21/h3-8,15,21H,9-14H2,1-2H3,(H,23,26)/t21-/m0/s1
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15n/an/an/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vivo binding affinity was evaluated against 5-hydroxytryptamine 2 receptor


Bioorg Med Chem Lett 8: 1499-502 (1999)


Article DOI: 10.1016/s0960-894x(98)00252-2
BindingDB Entry DOI: 10.7270/Q2WH2P54
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50328443
PNG
(1-(4-Fluorophenyl)-4-[4-([2.2]paracyclophan-4-yl)-...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1cc2CCc3ccc(CCc1cc2)cc3
Show InChI InChI=1S/C31H34FNO2/c32-28-15-13-27(14-16-28)30(34)2-1-19-33-20-17-31(35,18-21-33)29-22-25-8-7-23-3-5-24(6-4-23)9-11-26(29)12-10-25/h3-6,10,12-16,22,35H,1-2,7-9,11,17-21H2
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19n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from 5-HT2 receptor in pig cortex membranes


J Med Chem 53: 7219-28 (2010)


Article DOI: 10.1021/jm100899z
BindingDB Entry DOI: 10.7270/Q27W6CDZ
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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30n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from 5-HT2 receptor in pig cortex membranes


J Med Chem 53: 7219-28 (2010)


Article DOI: 10.1021/jm100899z
BindingDB Entry DOI: 10.7270/Q27W6CDZ
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM82516
PNG
(AMESERGIDE | CAS_121588-75-8 | NSC_60740)
Show SMILES CC(C)n1cc2CC3C(CC(CN3C)C(=O)NC3CCCCC3)c3cccc1c23
Show InChI InChI=1S/C25H35N3O/c1-16(2)28-15-17-13-23-21(20-10-7-11-22(28)24(17)20)12-18(14-27(23)3)25(29)26-19-8-5-4-6-9-19/h7,10-11,15-16,18-19,21,23H,4-6,8-9,12-14H2,1-3H3,(H,26,29)
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30.7n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
Serotonin 2a (5-HT2a) receptor


(BOVINE)
BDBM50070518
PNG
((R)-3-{2-[4-(3,4-Dimethyl-phenyl)-piperazin-1-yl]-...)
Show SMILES Cc1ccc(cc1C)N1CCN(CC[C@H]2NC(=O)c3ccccc23)CC1
Show InChI InChI=1S/C22H27N3O/c1-16-7-8-18(15-17(16)2)25-13-11-24(12-14-25)10-9-21-19-5-3-4-6-20(19)22(26)23-21/h3-8,15,21H,9-14H2,1-2H3,(H,23,26)/t21-/m1/s1
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36n/an/an/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vivo binding affinity was evaluated against 5-hydroxytryptamine 2 receptor


Bioorg Med Chem Lett 8: 1499-502 (1999)


Article DOI: 10.1016/s0960-894x(98)00252-2
BindingDB Entry DOI: 10.7270/Q2WH2P54
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM84930
PNG
(CAS_60634-51-7 | LY 53857 | NSC_107989)
Show SMILES CC(O)C(C)OC(=O)C1CC2C(Cc3cn(C(C)C)c4cccc2c34)N(C)C1
Show InChI InChI=1S/C23H32N2O3/c1-13(2)25-12-16-10-21-19(18-7-6-8-20(25)22(16)18)9-17(11-24(21)5)23(27)28-15(4)14(3)26/h6-8,12-15,17,19,21,26H,9-11H2,1-5H3
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40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50024204
PNG
(1H-imidazo[4,5-c]pyridine derivative | 2N-[4,7-dim...)
Show SMILES CN(C)S(=O)(=O)N[C@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1
Show InChI InChI=1S/C18H26N4O2S/c1-20(2)25(23,24)19-13-9-15-14-6-5-7-16-18(14)12(10-21(16)3)8-17(15)22(4)11-13/h5-7,10,13,15,17,19H,8-9,11H2,1-4H3/t13-,15+,17+/m0/s1
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54.2n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM84939
PNG
(1,6-Dimethylergoline-8β-carboxylic acid 2-hydroxy...)
Show SMILES CC(O)C(C)OC(=O)[C@@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1
Show InChI InChI=1S/C21H28N2O3/c1-12(24)13(2)26-21(25)15-8-17-16-6-5-7-18-20(16)14(10-22(18)3)9-19(17)23(4)11-15/h5-7,10,12-13,15,17,19,24H,8-9,11H2,1-4H3/t12?,13?,15-,17-,19-/m1/s1
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57.2n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
Serotonin 2a (5-HT2a) receptor


(BOVINE)
BDBM50060965
PNG
(2-[2-((3aR,9bR)-6-Methoxy-1,3,3a,4,5,9b-hexahydro-...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ncccc6sc5c4=O)C[C@@H]3CCc12
Show InChI InChI=1S/C24H24N4O3S/c1-31-18-5-2-4-15-16(18)8-7-14-12-27(13-17(14)15)10-11-28-23(29)22-21(26-24(28)30)20-19(32-22)6-3-9-25-20/h2-6,9,14,17H,7-8,10-13H2,1H3,(H,26,30)/t14-,17+/m0/s1
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83n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2 receptor using [3H]-ketanserin as radioligand


J Med Chem 40: 3141-3 (1997)


Article DOI: 10.1021/jm970364a
BindingDB Entry DOI: 10.7270/Q2R78DBB
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50401953
PNG
(CHEMBL2207643)
Show SMILES COc1ccccc1N1CCN(Cc2ccc3cccccc23)CC1
Show InChI InChI=1S/C22H24N2O/c1-25-22-10-6-5-9-21(22)24-15-13-23(14-16-24)17-19-12-11-18-7-3-2-4-8-20(18)19/h2-12H,13-17H2,1H3
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92n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-HT2 receptor in porcine cerebral cortex homogenate after 60 mins by scintillation counting analysis


Bioorg Med Chem Lett 22: 7151-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.064
BindingDB Entry DOI: 10.7270/Q2Q52QSM
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50373711
PNG
(CHEMBL256637)
Show SMILES COc1cc(CN2CCN(CC2)c2ccc(Cl)cc2)c(OCCF)cc1OC
Show InChI InChI=1S/C21H26ClFN2O3/c1-26-20-13-16(19(28-12-7-23)14-21(20)27-2)15-24-8-10-25(11-9-24)18-5-3-17(22)4-6-18/h3-6,13-14H,7-12,15H2,1-2H3
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100n/an/an/an/an/an/an/an/a



Clinic of Nuclear Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from pig cortical membrane 5HT2 receptor


Bioorg Med Chem Lett 18: 983-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.026
BindingDB Entry DOI: 10.7270/Q2B56KMT
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50328444
PNG
(4-[4-(2,5-Dimethylphenyl)-4-hydroxypiperidin-1-yl]...)
Show SMILES Cc1ccc(C)c(c1)C1(O)CCN(CCCC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H28FNO2/c1-17-5-6-18(2)21(16-17)23(27)11-14-25(15-12-23)13-3-4-22(26)19-7-9-20(24)10-8-19/h5-10,16,27H,3-4,11-15H2,1-2H3
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110n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from 5-HT2 receptor in pig cortex membranes


J Med Chem 53: 7219-28 (2010)


Article DOI: 10.1021/jm100899z
BindingDB Entry DOI: 10.7270/Q27W6CDZ
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM84938
PNG
((6aR)-7-Methyl-4-isobutyl-4,6,6ażżżż,7,8,9,10,10aż...)
Show SMILES CC(C)Cn1cc2C[C@@H]3[C@H](C[C@H](CN3C)C(=O)OC(C)C(C)O)c3cccc1c23
Show InChI InChI=1S/C24H34N2O3/c1-14(2)11-26-13-17-10-22-20(19-7-6-8-21(26)23(17)19)9-18(12-25(22)5)24(28)29-16(4)15(3)27/h6-8,13-16,18,20,22,27H,9-12H2,1-5H3/t15?,16?,18-,20-,22-/m1/s1
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148n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50342706
PNG
(3,4-Dihydro-2-[4-(4-(2-methoxyphenyl)piperazin-1-y...)
Show SMILES COc1ccccc1N1CCN(CCCCN2CCc3cc(ccc3C2=O)-c2ccncc2)CC1
Show InChI InChI=1S/C29H34N4O2/c1-35-28-7-3-2-6-27(28)32-20-18-31(19-21-32)15-4-5-16-33-17-12-25-22-24(8-9-26(25)29(33)34)23-10-13-30-14-11-23/h2-3,6-11,13-14,22H,4-5,12,15-21H2,1H3
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160n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from pig 5-HT2 receptor


Bioorg Med Chem Lett 21: 2670-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.083
BindingDB Entry DOI: 10.7270/Q2GF0TT4
More data for this
Ligand-Target Pair
Serotonin 2a (5-HT2a) receptor


(BOVINE)
BDBM50001859
PNG
((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2
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178n/an/an/an/an/an/an/an/a



Cooperation Pharmaceutique Fran�aise

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2 receptor


J Med Chem 40: 952-60 (1997)


Article DOI: 10.1021/jm950759z
BindingDB Entry DOI: 10.7270/Q2HT2Q00
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50328452
PNG
(4-[4-(4-Chlorophenyl)piperazin-1-yl]-1-(2,5-dimeth...)
Show SMILES Cc1ccc(C)c(c1)C(=O)CCCN1CCC(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H28ClNO/c1-17-5-6-18(2)22(16-17)23(26)4-3-13-25-14-11-20(12-15-25)19-7-9-21(24)10-8-19/h5-10,16,20H,3-4,11-15H2,1-2H3
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180n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from 5-HT2 receptor in pig cortex membranes


J Med Chem 53: 7219-28 (2010)


Article DOI: 10.1021/jm100899z
BindingDB Entry DOI: 10.7270/Q27W6CDZ
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50342704
PNG
(3,4-Dihydro-2-[4-(4-(2-methoxyphenyl)piperazin-1-y...)
Show SMILES COc1ccccc1N1CCN(CCCCN2CCc3cc(ccc3C2=O)-c2cccs2)CC1
Show InChI InChI=1S/C28H33N3O2S/c1-33-26-8-3-2-7-25(26)30-18-16-29(17-19-30)13-4-5-14-31-15-12-22-21-23(27-9-6-20-34-27)10-11-24(22)28(31)32/h2-3,6-11,20-21H,4-5,12-19H2,1H3
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190n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from pig 5-HT2 receptor


Bioorg Med Chem Lett 21: 2670-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.083
BindingDB Entry DOI: 10.7270/Q2GF0TT4
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50342714
PNG
(3,4-Dihydro-2-[4-(4-(2-methoxyphenyl)piperazin-1-y...)
Show SMILES COc1ccccc1N1CCN(CCCCN2CCc3c(cccc3-c3ccccc3)C2=O)CC1
Show InChI InChI=1S/C30H35N3O2/c1-35-29-15-6-5-14-28(29)32-22-20-31(21-23-32)17-7-8-18-33-19-16-26-25(24-10-3-2-4-11-24)12-9-13-27(26)30(33)34/h2-6,9-15H,7-8,16-23H2,1H3
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230n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from pig 5-HT2 receptor


Bioorg Med Chem Lett 21: 2670-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.083
BindingDB Entry DOI: 10.7270/Q2GF0TT4
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50331549
PNG
(CHEMBL567286 | [11C]-3-(2-oxo-3-(2-(4-(trifluorome...)
Show SMILES FC(F)(F)C1CCN(CCN2CCN(C2=O)c2cccc(c2)C#N)CC1
Show InChI InChI=1S/C18H21F3N4O/c19-18(20,21)15-4-6-23(7-5-15)8-9-24-10-11-25(17(24)26)16-3-1-2-14(12-16)13-22/h1-3,12,15H,4-11H2
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230n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universität Erlangen-Nürnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-HT2 receptor in porcine cerebral cortex membranes


Bioorg Med Chem Lett 20: 6933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.142
BindingDB Entry DOI: 10.7270/Q2474B38
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50373714
PNG
(CHEMBL270406)
Show SMILES COc1cc(CN2CCN(CC2)c2ccccc2OC)c(OCCF)cc1OC
Show InChI InChI=1S/C22H29FN2O4/c1-26-19-7-5-4-6-18(19)25-11-9-24(10-12-25)16-17-14-21(27-2)22(28-3)15-20(17)29-13-8-23/h4-7,14-15H,8-13,16H2,1-3H3
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280n/an/an/an/an/an/an/an/a



Clinic of Nuclear Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from pig cortical membrane 5HT2 receptor


Bioorg Med Chem Lett 18: 983-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.026
BindingDB Entry DOI: 10.7270/Q2B56KMT
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50328453
PNG
(4-[4-([2.2]Paracyclophan-4-yl)piperazin-1-yl]-1-([...)
Show SMILES O=C(CCCN1CCC(CC1)c1cc2CCc3ccc(CCc1cc2)cc3)c1cc2CCc3ccc(CCc1cc2)cc3
Show InChI InChI=1S/C41H45NO/c43-41(40-29-35-14-12-31-5-9-33(10-6-31)16-20-37(40)22-18-35)2-1-25-42-26-23-38(24-27-42)39-28-34-13-11-30-3-7-32(8-4-30)15-19-36(39)21-17-34/h3-10,17-18,21-22,28-29,38H,1-2,11-16,19-20,23-27H2
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310n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from 5-HT2 receptor in pig cortex membranes


J Med Chem 53: 7219-28 (2010)


Article DOI: 10.1021/jm100899z
BindingDB Entry DOI: 10.7270/Q27W6CDZ
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50132069
PNG
(3-(4-Fluoro-phenyl)-N-{4-[4-(2-methoxy-phenyl)-pip...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\C=C\c2ccc(F)cc2)CC1
Show InChI InChI=1S/C24H30FN3O2/c1-30-23-7-3-2-6-22(23)28-18-16-27(17-19-28)15-5-4-14-26-24(29)13-10-20-8-11-21(25)12-9-20/h2-3,6-13H,4-5,14-19H2,1H3,(H,26,29)/b13-10+
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330n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universität Erlangen-Nürnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-HT2 receptor in porcine cerebral cortex membranes


Bioorg Med Chem Lett 20: 6933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.142
BindingDB Entry DOI: 10.7270/Q2474B38
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50342713
PNG
(3,4-Dihydro-2-[4-(4-(2-methoxyphenyl)piperazin-1-y...)
Show SMILES COc1ccccc1N1CCN(CCCCN2CCc3cc(ccc3C2=O)-c2ccccc2)CC1
Show InChI InChI=1S/C30H35N3O2/c1-35-29-12-6-5-11-28(29)32-21-19-31(20-22-32)16-7-8-17-33-18-15-26-23-25(13-14-27(26)30(33)34)24-9-3-2-4-10-24/h2-6,9-14,23H,7-8,15-22H2,1H3
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330n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from pig 5-HT2 receptor


Bioorg Med Chem Lett 21: 2670-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.083
BindingDB Entry DOI: 10.7270/Q2GF0TT4
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50342715
PNG
(3,4-Dihydro-6-(2-furyl)-2-[4-(4-(2-methoxyphenyl)p...)
Show SMILES COc1ccccc1N1CCN(CCCCN2CCc3cc(ccc3C2=O)-c2ccco2)CC1
Show InChI InChI=1S/C28H33N3O3/c1-33-27-8-3-2-7-25(27)30-18-16-29(17-19-30)13-4-5-14-31-15-12-22-21-23(26-9-6-20-34-26)10-11-24(22)28(31)32/h2-3,6-11,20-21H,4-5,12-19H2,1H3
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330n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from pig 5-HT2 receptor


Bioorg Med Chem Lett 21: 2670-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.083
BindingDB Entry DOI: 10.7270/Q2GF0TT4
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50119386
PNG
(Benzo[b]thiophene-2-carboxylic acid {4-[4-(2-metho...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3s2)CC1
Show InChI InChI=1S/C24H29N3O2S/c1-29-21-10-4-3-9-20(21)27-16-14-26(15-17-27)13-7-6-12-25-24(28)23-18-19-8-2-5-11-22(19)30-23/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,25,28)
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350n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from 5-HT2 receptor in pig cortex membranes


J Med Chem 53: 7219-28 (2010)


Article DOI: 10.1021/jm100899z
BindingDB Entry DOI: 10.7270/Q27W6CDZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM186969
PNG
(US9079895, 32s)
Show SMILES Fc1ccc(OC[C@@H]2CN(CCN3CCc4ccccc34)CCO2)cc1
Show InChI InChI=1S/C21H25FN2O2/c22-18-5-7-19(8-6-18)26-16-20-15-23(13-14-25-20)11-12-24-10-9-17-3-1-2-4-21(17)24/h1-8,20H,9-16H2/t20-/m0/s1
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374n/an/an/an/an/an/a7.4n/a



University of Dundee

US Patent


Assay Description
The detailed experimental protocols for the radioligand and functional receptor assays are available on the NIMH PDSP website at http://pdsp.med.un...


US Patent US9079895 (2015)


BindingDB Entry DOI: 10.7270/Q2D7996K
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50073805
PNG
(3-((4-(4-chlorophenyl)piperazin-1-yl)methyl)H-pyra...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2cnn3ccccc23)CC1
Show InChI InChI=1S/C18H19ClN4/c19-16-4-6-17(7-5-16)22-11-9-21(10-12-22)14-15-13-20-23-8-2-1-3-18(15)23/h1-8,13H,9-12,14H2
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380n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2 receptor in pig cortical membranes


J Med Chem 51: 1800-10 (2008)


Article DOI: 10.1021/jm701375u
BindingDB Entry DOI: 10.7270/Q2RB75FF
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50401954
PNG
(CHEMBL2207636)
Show SMILES COc1ccccc1N1CCN(Cc2cc(C#N)c3cccccc23)CC1
Show InChI InChI=1S/C23H23N3O/c1-27-23-10-6-5-9-22(23)26-13-11-25(12-14-26)17-19-15-18(16-24)20-7-3-2-4-8-21(19)20/h2-10,15H,11-14,17H2,1H3
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380n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-HT2 receptor in porcine cerebral cortex homogenate after 60 mins by scintillation counting analysis


Bioorg Med Chem Lett 22: 7151-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.064
BindingDB Entry DOI: 10.7270/Q2Q52QSM
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50115717
PNG
(1-(4-Ethynyl-1H-pyrrol-2-ylmethyl)-4-phenyl-pipera...)
Show SMILES C#Cc1c[nH]c(CN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C17H19N3/c1-2-15-12-16(18-13-15)14-19-8-10-20(11-9-19)17-6-4-3-5-7-17/h1,3-7,12-13,18H,8-11,14H2
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380n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]-Ketanserin radioligand from porcine 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 12: 1937-40 (2002)


Article DOI: 10.1016/s0960-894x(02)00316-5
BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50073805
PNG
(3-((4-(4-chlorophenyl)piperazin-1-yl)methyl)H-pyra...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2cnn3ccccc23)CC1
Show InChI InChI=1S/C18H19ClN4/c19-16-4-6-17(7-5-16)22-11-9-21(10-12-22)14-15-13-20-23-8-2-1-3-18(15)23/h1-8,13H,9-12,14H2
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380n/an/an/an/an/an/an/an/a



Laboratoire de Chimie Th�rapeutique

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2 receptor in porcine cortical membrane


J Med Chem 49: 3938-47 (2006)


Article DOI: 10.1021/jm060166w
BindingDB Entry DOI: 10.7270/Q20G3KZ5
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50342707
PNG
(2-[4-(4-(2-Methoxyphenyl)piperazin-1-yl)butyl]-1-o...)
Show SMILES COc1ccccc1N1CCN(CCCCN2CCc3cc(ccc3C2=O)C#N)CC1
Show InChI InChI=1S/C25H30N4O2/c1-31-24-7-3-2-6-23(24)28-16-14-27(15-17-28)11-4-5-12-29-13-10-21-18-20(19-26)8-9-22(21)25(29)30/h2-3,6-9,18H,4-5,10-17H2,1H3
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430n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from pig 5-HT2 receptor


Bioorg Med Chem Lett 21: 2670-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.083
BindingDB Entry DOI: 10.7270/Q2GF0TT4
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50155520
PNG
(4-[4-(4-Chloro-phenyl)-piperazin-1-yl]-1-(4-fluoro...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H22ClFN2O/c21-17-5-9-19(10-6-17)24-14-12-23(13-15-24)11-1-2-20(25)16-3-7-18(22)8-4-16/h3-10H,1-2,11-15H2
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440n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from 5-HT2 receptor in pig cortex membranes


J Med Chem 53: 7219-28 (2010)


Article DOI: 10.1021/jm100899z
BindingDB Entry DOI: 10.7270/Q27W6CDZ
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50328449
PNG
(4-[4-([2.2]Paracyclophan-4-yl)piperazin-1-yl]-1-(4...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1cc2CCc3ccc(CCc1cc2)cc3
Show InChI InChI=1S/C30H33FN2O/c31-28-15-13-27(14-16-28)30(34)2-1-17-32-18-20-33(21-19-32)29-22-25-8-7-23-3-5-24(6-4-23)9-11-26(29)12-10-25/h3-6,10,12-16,22H,1-2,7-9,11,17-21H2
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450n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from 5-HT2 receptor in pig cortex membranes


J Med Chem 53: 7219-28 (2010)


Article DOI: 10.1021/jm100899z
BindingDB Entry DOI: 10.7270/Q27W6CDZ
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50342705
PNG
(2-[4-(4-(2-Methoxyphenyl)piperazin-1-yl)butyl]-2,3...)
Show SMILES COc1ccccc1N1CCN(CCCCN2CCCc3cc(ccc3C2=O)-c2cccs2)CC1
Show InChI InChI=1S/C29H35N3O2S/c1-34-27-10-3-2-9-26(27)31-19-17-30(18-20-31)14-4-5-15-32-16-6-8-23-22-24(28-11-7-21-35-28)12-13-25(23)29(32)33/h2-3,7,9-13,21-22H,4-6,8,14-20H2,1H3
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530n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from pig 5-HT2 receptor


Bioorg Med Chem Lett 21: 2670-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.083
BindingDB Entry DOI: 10.7270/Q2GF0TT4
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50401944
PNG
(CHEMBL2207641)
Show SMILES COc1ccccc1N1CCN(Cc2cc(CN3CCN(CC3)c3ccccc3OC)c3cccccc23)CC1
Show InChI InChI=1S/C34H40N4O2/c1-39-33-14-8-6-12-31(33)37-20-16-35(17-21-37)25-27-24-28(30-11-5-3-4-10-29(27)30)26-36-18-22-38(23-19-36)32-13-7-9-15-34(32)40-2/h3-15,24H,16-23,25-26H2,1-2H3
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560n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-HT2 receptor in porcine cerebral cortex homogenate after 60 mins by scintillation counting analysis


Bioorg Med Chem Lett 22: 7151-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.064
BindingDB Entry DOI: 10.7270/Q2Q52QSM
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50115715
PNG
(5-(4-Phenyl-piperazin-1-ylmethyl)-1H-pyrrole-3-car...)
Show SMILES N#Cc1c[nH]c(CN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C16H18N4/c17-11-14-10-15(18-12-14)13-19-6-8-20(9-7-19)16-4-2-1-3-5-16/h1-5,10,12,18H,6-9,13H2
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610n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]-Ketanserin radioligand from porcine 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 12: 1937-40 (2002)


Article DOI: 10.1016/s0960-894x(02)00316-5
BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50328447
PNG
(4-[4-(4-Chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(...)
Show SMILES Cc1ccc(C)c(c1)C(=O)CCCN1CCC(O)(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H28ClNO2/c1-17-5-6-18(2)21(16-17)22(26)4-3-13-25-14-11-23(27,12-15-25)19-7-9-20(24)10-8-19/h5-10,16,27H,3-4,11-15H2,1-2H3
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690n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from 5-HT2 receptor in pig cortex membranes


J Med Chem 53: 7219-28 (2010)


Article DOI: 10.1021/jm100899z
BindingDB Entry DOI: 10.7270/Q27W6CDZ
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50342711
PNG
(7-methoxy-2-(4-(4-(2-methoxyphenyl)piperazin-1-yl)...)
Show SMILES COc1ccc2c(CCCN(CCCCN3CCN(CC3)c3ccccc3OC)C2=O)c1
Show InChI InChI=1S/C26H35N3O3/c1-31-22-11-12-23-21(20-22)8-7-15-29(26(23)30)14-6-5-13-27-16-18-28(19-17-27)24-9-3-4-10-25(24)32-2/h3-4,9-12,20H,5-8,13-19H2,1-2H3
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810n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from pig 5-HT2 receptor


Bioorg Med Chem Lett 21: 2670-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.083
BindingDB Entry DOI: 10.7270/Q2GF0TT4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM186927
PNG
(US9079895, 19s)
Show SMILES C(CN1CCO[C@H](COc2ccccc2)C1)N1CCc2ccccc12
Show InChI InChI=1S/C21H26N2O2/c1-2-7-19(8-3-1)25-17-20-16-22(14-15-24-20)12-13-23-11-10-18-6-4-5-9-21(18)23/h1-9,20H,10-17H2/t20-/m0/s1
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US Patent
817n/an/an/an/an/an/a7.4n/a



University of Dundee

US Patent


Assay Description
The detailed experimental protocols for the radioligand and functional receptor assays are available on the NIMH PDSP website at http://pdsp.med.un...


US Patent US9079895 (2015)


BindingDB Entry DOI: 10.7270/Q2D7996K
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50342712
PNG
(6-fluoro-2-(4-(4-(2-methoxyphenyl)piperazin-1-yl)b...)
Show SMILES COc1ccccc1N1CCN(CCCCN2CCc3cc(F)ccc3C2=O)CC1
Show InChI InChI=1S/C24H30FN3O2/c1-30-23-7-3-2-6-22(23)27-16-14-26(15-17-27)11-4-5-12-28-13-10-19-18-20(25)8-9-21(19)24(28)29/h2-3,6-9,18H,4-5,10-17H2,1H3
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840n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from pig 5-HT2 receptor


Bioorg Med Chem Lett 21: 2670-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.083
BindingDB Entry DOI: 10.7270/Q2GF0TT4
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50403915
PNG
(CHEMBL2113718)
Show SMILES N#Cc1cc(CN2CCN(CC2)c2ccccc2)c[nH]1
Show InChI InChI=1S/C16H18N4/c17-11-15-10-14(12-18-15)13-19-6-8-20(9-7-19)16-4-2-1-3-5-16/h1-5,10,12,18H,6-9,13H2
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850n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]-Ketanserin radioligand from porcine 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 12: 1937-40 (2002)


Article DOI: 10.1016/s0960-894x(02)00316-5
BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50373713
PNG
(CHEMBL404888)
Show SMILES COc1cc(CN2CCN(CC2)c2ccc(Cl)cc2)ccc1OCCF
Show InChI InChI=1S/C20H24ClFN2O2/c1-25-20-14-16(2-7-19(20)26-13-8-22)15-23-9-11-24(12-10-23)18-5-3-17(21)4-6-18/h2-7,14H,8-13,15H2,1H3
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850n/an/an/an/an/an/an/an/a



Clinic of Nuclear Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from pig cortical membrane 5HT2 receptor


Bioorg Med Chem Lett 18: 983-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.026
BindingDB Entry DOI: 10.7270/Q2B56KMT
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50328450
PNG
(4-[4-(2,5-Dimethylphenyl)piperazin-1-yl]-1-(4-fluo...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CCCC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C22H27FN2O/c1-17-5-6-18(2)21(16-17)25-14-12-24(13-15-25)11-3-4-22(26)19-7-9-20(23)10-8-19/h5-10,16H,3-4,11-15H2,1-2H3
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850n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from 5-HT2 receptor in pig cortex membranes


J Med Chem 53: 7219-28 (2010)


Article DOI: 10.1021/jm100899z
BindingDB Entry DOI: 10.7270/Q27W6CDZ
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50189837
PNG
(2-[4-(4-fluorophenyl)piperazin-1-ylmethyl]imidazo[...)
Show SMILES Fc1ccc(cc1)N1CCN(Cc2cn3ccccc3n2)CC1
Show InChI InChI=1S/C18H19FN4/c19-15-4-6-17(7-5-15)22-11-9-21(10-12-22)13-16-14-23-8-2-1-3-18(23)20-16/h1-8,14H,9-13H2
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860n/an/an/an/an/an/an/an/a



Laboratoire de Chimie Th�rapeutique

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2 receptor in porcine cortical membrane


J Med Chem 49: 3938-47 (2006)


Article DOI: 10.1021/jm060166w
BindingDB Entry DOI: 10.7270/Q20G3KZ5
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50102712
PNG
(2-((4-(4-chlorophenyl)piperazin-1-yl)methyl)-pyraz...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2cc3ccccn3n2)CC1
Show InChI InChI=1S/C18H19ClN4/c19-15-4-6-17(7-5-15)22-11-9-21(10-12-22)14-16-13-18-3-1-2-8-23(18)20-16/h1-8,13H,9-12,14H2
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900n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2 receptor in pig cortical membranes


J Med Chem 51: 1800-10 (2008)


Article DOI: 10.1021/jm701375u
BindingDB Entry DOI: 10.7270/Q2RB75FF
More data for this
Ligand-Target Pair
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