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Compile Data Set for Download or QSAR

Found 631 hits with Last Name = 'whelan' and Initial = 'kt'   
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 2C


(Homo sapiens (Human))
BDBM472930
PNG
((R)-4-propyl-6,6a,7,8,9,10-hexahydro-5H- pyrazino[...)
Show SMILES CCCc1ccnc2N3CCNC[C@H]3CCc12 |r|
Show InChI InChI=1S/C14H21N3/c1-2-3-11-6-7-16-14-13(11)5-4-12-10-15-8-9-17(12)14/h6-7,12,15H,2-5,8-10H2,1H3/t12-/m1/s1
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0.158n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-DOI from recombinant human 5HT2CR transfected in human HEK293 cells incubated for 45 mins by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127872
BindingDB Entry DOI: 10.7270/Q2SF30VK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50459718
PNG
(CHEMBL4213379 | US10836764, Compound 106)
Show SMILES [H][C@]12CCc3c(Cc4ccccc4)ccnc3N1CCNC2 |r|
Show InChI InChI=1S/C18H21N3/c1-2-4-14(5-3-1)12-15-8-9-20-18-17(15)7-6-16-13-19-10-11-21(16)18/h1-5,8-9,16,19H,6-7,10-13H2/t16-/m1/s1
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0.251n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-DOI from recombinant human 5HT2CR transfected in human HEK293 cells incubated for 45 mins by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127872
BindingDB Entry DOI: 10.7270/Q2SF30VK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50206734
PNG
(CHEMBL3959570)
Show SMILES C(c1cccs1)c1cccc2N3CCNCC3CCc12
Show InChI InChI=1S/C17H20N2S/c1-3-13(11-15-4-2-10-20-15)16-7-6-14-12-18-8-9-19(14)17(16)5-1/h1-5,10,14,18H,6-9,11-12H2
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0.316n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from recombinant human 5-HT2C receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 5877-5882 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50557505
PNG
(CHEMBL4776557)
Show SMILES [H][C@]12CCc3c(CCC)cccc3N1CCNC2 |r|
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0.316n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-DOI from recombinant human 5HT2CR transfected in human HEK293 cells incubated for 45 mins by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127872
BindingDB Entry DOI: 10.7270/Q2SF30VK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50206725
PNG
(CHEMBL3947276)
Show SMILES CCCc1cccc2N3CCNCC3CCc12
Show InChI InChI=1S/C15H22N2/c1-2-4-12-5-3-6-15-14(12)8-7-13-11-16-9-10-17(13)15/h3,5-6,13,16H,2,4,7-11H2,1H3
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0.398n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from recombinant human 5-HT2C receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 5877-5882 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50206719
PNG
(CHEMBL3956394)
Show SMILES Fc1ccc2N3CCNCC3CCc2c1Cc1ccccc1
Show InChI InChI=1S/C19H21FN2/c20-18-8-9-19-16(7-6-15-13-21-10-11-22(15)19)17(18)12-14-4-2-1-3-5-14/h1-5,8-9,15,21H,6-7,10-13H2
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0.398n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from recombinant human 5-HT2C receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 5877-5882 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50459713
PNG
(CHEMBL4213447 | US10836764, Compound 176)
Show SMILES [H][C@]12CCc3c(CC4CCC4)ccnc3N1CCNC2 |r|
Show InChI InChI=1S/C16H23N3/c1-2-12(3-1)10-13-6-7-18-16-15(13)5-4-14-11-17-8-9-19(14)16/h6-7,12,14,17H,1-5,8-11H2/t14-/m1/s1
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0.501n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-DOI from recombinant human 5HT2CR transfected in human HEK293 cells incubated for 45 mins by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127872
BindingDB Entry DOI: 10.7270/Q2SF30VK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM473021
PNG
((R)-4-benzyl-6,6a,7,8,9,10-hexahydro-5H- pyrazino[...)
Show SMILES C(c1ccccc1)c1cncc2N3CCNC[C@H]3CCc12 |r|
Show InChI InChI=1S/C18H21N3/c1-2-4-14(5-3-1)10-15-11-20-13-18-17(15)7-6-16-12-19-8-9-21(16)18/h1-5,11,13,16,19H,6-10,12H2/t16-/m1/s1
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0.501n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-DOI from recombinant human 5HT2CR transfected in human HEK293 cells incubated for 45 mins by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127872
BindingDB Entry DOI: 10.7270/Q2SF30VK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50541196
PNG
(CHEMBL4639090)
Show SMILES CC1CN2CCNCc3ccc(Br)c1c23
Show InChI InChI=1S/C12H15BrN2/c1-8-7-15-5-4-14-6-9-2-3-10(13)11(8)12(9)15/h2-3,8,14H,4-7H2,1H3
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0.600n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-1,4-Iodanyl-2,5-dimethoxyphenyl)propan-2amine from 5HT2C receptor (unknown origin)


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126929
BindingDB Entry DOI: 10.7270/Q28W3HT5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM472931
PNG
((R)-4-isobutyl-6,6a,7,8,9,10-hexahydro-5H- pyrazin...)
Show SMILES CC(C)Cc1ccnc2N3CCNC[C@H]3CCc12 |r|
Show InChI InChI=1S/C15H23N3/c1-11(2)9-12-5-6-17-15-14(12)4-3-13-10-16-7-8-18(13)15/h5-6,11,13,16H,3-4,7-10H2,1-2H3/t13-/m1/s1
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0.631n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-DOI from recombinant human 5HT2CR transfected in human HEK293 cells incubated for 45 mins by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127872
BindingDB Entry DOI: 10.7270/Q2SF30VK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50206719
PNG
(CHEMBL3956394)
Show SMILES Fc1ccc2N3CCNCC3CCc2c1Cc1ccccc1
Show InChI InChI=1S/C19H21FN2/c20-18-8-9-19-16(7-6-15-13-21-10-11-22(15)19)17(18)12-14-4-2-1-3-5-14/h1-5,8-9,15,21H,6-7,10-13H2
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0.631n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from recombinant human 5-HT2A receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 5877-5882 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50206714
PNG
(CHEMBL3919795)
Show SMILES C(c1ccccc1)c1cccc2N3CCNCC3CCc12
Show InChI InChI=1S/C19H22N2/c1-2-5-15(6-3-1)13-16-7-4-8-19-18(16)10-9-17-14-20-11-12-21(17)19/h1-8,17,20H,9-14H2
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0.631n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from recombinant human 5-HT2C receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 5877-5882 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50206724
PNG
(CHEMBL3912721)
Show SMILES C(C1CCC1)c1cccc2N3CCNCC3CCc12
Show InChI InChI=1S/C17H24N2/c1-3-13(4-1)11-14-5-2-6-17-16(14)8-7-15-12-18-9-10-19(15)17/h2,5-6,13,15,18H,1,3-4,7-12H2
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0.631n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from recombinant human 5-HT2C receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 5877-5882 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50206716
PNG
(CHEMBL3935339)
Show SMILES C(c1ccc2OCOc2c1)c1cccc2N3CCNCC3CCc12
Show InChI InChI=1S/C20H22N2O2/c1-2-15(10-14-4-7-19-20(11-14)24-13-23-19)17-6-5-16-12-21-8-9-22(16)18(17)3-1/h1-4,7,11,16,21H,5-6,8-10,12-13H2
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0.794n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from recombinant human 5-HT2C receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 5877-5882 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50541195
PNG
(CHEMBL4634942)
Show SMILES CC1CN2CCNCc3ccc(Cl)c1c23
Show InChI InChI=1S/C12H15ClN2/c1-8-7-15-5-4-14-6-9-2-3-10(13)11(8)12(9)15/h2-3,8,14H,4-7H2,1H3
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0.800n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-1,4-Iodanyl-2,5-dimethoxyphenyl)propan-2amine from 5HT2C receptor (unknown origin)


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126929
BindingDB Entry DOI: 10.7270/Q28W3HT5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50541197
PNG
(CHEMBL4646572)
Show SMILES FC(F)(F)CC1CN2CCNCc3ccc(Br)c1c23
Show InChI InChI=1S/C13H14BrF3N2/c14-10-2-1-8-6-18-3-4-19-7-9(5-13(15,16)17)11(10)12(8)19/h1-2,9,18H,3-7H2
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0.800n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-1,4-Iodanyl-2,5-dimethoxyphenyl)propan-2amine from 5HT2C receptor (unknown origin)


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126929
BindingDB Entry DOI: 10.7270/Q28W3HT5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50541204
PNG
(CHEMBL4636977)
Show SMILES CC1(C)CN2CCNCc3ccc(Br)c1c23
Show InChI InChI=1S/C13H17BrN2/c1-13(2)8-16-6-5-15-7-9-3-4-10(14)11(13)12(9)16/h3-4,15H,5-8H2,1-2H3
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0.900n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-1,4-Iodanyl-2,5-dimethoxyphenyl)propan-2amine from 5HT2C receptor (unknown origin)


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126929
BindingDB Entry DOI: 10.7270/Q28W3HT5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50459718
PNG
(CHEMBL4213379 | US10836764, Compound 106)
Show SMILES [H][C@]12CCc3c(Cc4ccccc4)ccnc3N1CCNC2 |r|
Show InChI InChI=1S/C18H21N3/c1-2-4-14(5-3-1)12-15-8-9-20-18-17(15)7-6-16-13-19-10-11-21(16)18/h1-5,8-9,16,19H,6-7,10-13H2/t16-/m1/s1
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1.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-DOI from recombinant human 5HT2AR transfected in human HEK293 cells incubated for 45 mins by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127872
BindingDB Entry DOI: 10.7270/Q2SF30VK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50541205
PNG
(CHEMBL4635105)
Show SMILES CC1(C)CN2CCNCc3ccc(Cl)c1c23
Show InChI InChI=1S/C13H17ClN2/c1-13(2)8-16-6-5-15-7-9-3-4-10(14)11(13)12(9)16/h3-4,15H,5-8H2,1-2H3
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1.40n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-1,4-Iodanyl-2,5-dimethoxyphenyl)propan-2amine from 5HT2C receptor (unknown origin)


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126929
BindingDB Entry DOI: 10.7270/Q28W3HT5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50206716
PNG
(CHEMBL3935339)
Show SMILES C(c1ccc2OCOc2c1)c1cccc2N3CCNCC3CCc12
Show InChI InChI=1S/C20H22N2O2/c1-2-15(10-14-4-7-19-20(11-14)24-13-23-19)17-6-5-16-12-21-8-9-22(16)18(17)3-1/h1-4,7,11,16,21H,5-6,8-10,12-13H2
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1.60n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from recombinant human 5-HT2A receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 5877-5882 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50206714
PNG
(CHEMBL3919795)
Show SMILES C(c1ccccc1)c1cccc2N3CCNCC3CCc12
Show InChI InChI=1S/C19H22N2/c1-2-5-15(6-3-1)13-16-7-4-8-19-18(16)10-9-17-14-20-11-12-21(17)19/h1-8,17,20H,9-14H2
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1.60n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from recombinant human 5-HT2A receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 5877-5882 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50459708
PNG
(CHEMBL4206126 | US10836764, Compound 152)
Show SMILES [H][C@]12CCc3c(CCC(F)(F)F)ccnc3N1CCNC2 |r|
Show InChI InChI=1S/C14H18F3N3/c15-14(16,17)5-3-10-4-6-19-13-12(10)2-1-11-9-18-7-8-20(11)13/h4,6,11,18H,1-3,5,7-9H2/t11-/m1/s1
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1.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-DOI from recombinant human 5HT2CR transfected in human HEK293 cells incubated for 45 mins by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127872
BindingDB Entry DOI: 10.7270/Q2SF30VK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50459712
PNG
(CHEMBL4218374 | US10836764, Compound 173)
Show SMILES [H][C@]12CCc3c(CCC)cncc3N1CCNC2 |r|
Show InChI InChI=1S/C14H21N3/c1-2-3-11-8-16-10-14-13(11)5-4-12-9-15-6-7-17(12)14/h8,10,12,15H,2-7,9H2,1H3/t12-/m1/s1
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2n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-DOI from recombinant human 5HT2CR transfected in human HEK293 cells incubated for 45 mins by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127872
BindingDB Entry DOI: 10.7270/Q2SF30VK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50557506
PNG
(CHEMBL4757718)
Show SMILES [H][C@]12CCc3c(CCC(F)(F)F)cccc3N1CCNC2 |r|
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2n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-DOI from recombinant human 5HT2CR transfected in human HEK293 cells incubated for 45 mins by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127872
BindingDB Entry DOI: 10.7270/Q2SF30VK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50541194
PNG
(CHEMBL4646618)
Show SMILES CC1CN2CCNCc3ccc(C)c1c23
Show InChI InChI=1S/C13H18N2/c1-9-3-4-11-7-14-5-6-15-8-10(2)12(9)13(11)15/h3-4,10,14H,5-8H2,1-2H3
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2.40n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-1,4-Iodanyl-2,5-dimethoxyphenyl)propan-2amine from 5HT2C receptor (unknown origin)


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126929
BindingDB Entry DOI: 10.7270/Q28W3HT5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM473021
PNG
((R)-4-benzyl-6,6a,7,8,9,10-hexahydro-5H- pyrazino[...)
Show SMILES C(c1ccccc1)c1cncc2N3CCNC[C@H]3CCc12 |r|
Show InChI InChI=1S/C18H21N3/c1-2-4-14(5-3-1)10-15-11-20-13-18-17(15)7-6-16-12-19-8-9-21(16)18/h1-5,11,13,16,19H,6-10,12H2/t16-/m1/s1
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2.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-DOI from recombinant human 5HT2AR transfected in human HEK293 cells incubated for 45 mins by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127872
BindingDB Entry DOI: 10.7270/Q2SF30VK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50541199
PNG
(CHEMBL4632473)
Show SMILES CC1CN2CCNCc3cc(Cl)c(Cl)c1c23
Show InChI InChI=1S/C12H14Cl2N2/c1-7-6-16-3-2-15-5-8-4-9(13)11(14)10(7)12(8)16/h4,7,15H,2-3,5-6H2,1H3
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2.80n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-1,4-Iodanyl-2,5-dimethoxyphenyl)propan-2amine from 5HT2C receptor (unknown origin)


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126929
BindingDB Entry DOI: 10.7270/Q28W3HT5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50541208
PNG
(CHEMBL4634785)
Show SMILES [H][C@@]12CCC[C@]1([H])C1=CC=CC3CNCCN(C2)C13 |r,c:10,t:8|
Show InChI InChI=1S/C15H22N2/c1-3-11-9-16-7-8-17-10-12-4-2-5-13(12)14(6-1)15(11)17/h1,3,6,11-13,15-16H,2,4-5,7-10H2/t11?,12-,13-,15?/m0/s1
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3n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-1,4-Iodanyl-2,5-dimethoxyphenyl)propan-2amine from recombinant human 5HT2C receptor expressed in CHO cells measured after 120 ...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126929
BindingDB Entry DOI: 10.7270/Q28W3HT5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50541207
PNG
(CHEMBL4638879)
Show SMILES Cc1ccc2CNCCN3CC(C)(C)c1c23
Show InChI InChI=1S/C14H20N2/c1-10-4-5-11-8-15-6-7-16-9-14(2,3)12(10)13(11)16/h4-5,15H,6-9H2,1-3H3
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4.20n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-1,4-Iodanyl-2,5-dimethoxyphenyl)propan-2amine from 5HT2C receptor (unknown origin)


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126929
BindingDB Entry DOI: 10.7270/Q28W3HT5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50557505
PNG
(CHEMBL4776557)
Show SMILES [H][C@]12CCc3c(CCC)cccc3N1CCNC2 |r|
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5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-DOI from recombinant human 5HT2AR transfected in human HEK293 cells incubated for 45 mins by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127872
BindingDB Entry DOI: 10.7270/Q2SF30VK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50541177
PNG
(CHEMBL4647417)
Show SMILES FC(F)(F)c1ccc2CNCCN3CCc1c23
Show InChI InChI=1S/C12H13F3N2/c13-12(14,15)10-2-1-8-7-16-4-6-17-5-3-9(10)11(8)17/h1-2,16H,3-7H2
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6n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-1,4-Iodanyl-2,5-dimethoxyphenyl)propan-2amine from 5HT2C receptor (unknown origin)


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126929
BindingDB Entry DOI: 10.7270/Q28W3HT5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM472930
PNG
((R)-4-propyl-6,6a,7,8,9,10-hexahydro-5H- pyrazino[...)
Show SMILES CCCc1ccnc2N3CCNC[C@H]3CCc12 |r|
Show InChI InChI=1S/C14H21N3/c1-2-3-11-6-7-16-14-13(11)5-4-12-10-15-8-9-17(12)14/h6-7,12,15H,2-5,8-10H2,1H3/t12-/m1/s1
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6.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-DOI from recombinant human 5HT2AR transfected in human HEK293 cells incubated for 45 mins by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127872
BindingDB Entry DOI: 10.7270/Q2SF30VK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50206718
PNG
(CHEMBL3895972)
Show SMILES CC1(C)Cc2cccc(Cl)c2N2CCNCC12
Show InChI InChI=1S/C14H19ClN2/c1-14(2)8-10-4-3-5-11(15)13(10)17-7-6-16-9-12(14)17/h3-5,12,16H,6-9H2,1-2H3
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6.30n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from recombinant human 5-HT2B receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 5877-5882 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50206725
PNG
(CHEMBL3947276)
Show SMILES CCCc1cccc2N3CCNCC3CCc12
Show InChI InChI=1S/C15H22N2/c1-2-4-12-5-3-6-15-14(12)8-7-13-11-16-9-10-17(13)15/h3,5-6,13,16H,2,4,7-11H2,1H3
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6.30n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at 5-HT2A receptor (unknown origin) expressed in HEK293 cells assessed as [3H]inositol phosphate accumulation after 2 hrs by scintil...


Bioorg Med Chem Lett 26: 5877-5882 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50541176
PNG
(CHEMBL4635854)
Show SMILES Brc1ccc2CNCCN3CCc1c23
Show InChI InChI=1S/C11H13BrN2/c12-10-2-1-8-7-13-4-6-14-5-3-9(10)11(8)14/h1-2,13H,3-7H2
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7.10n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-1,4-Iodanyl-2,5-dimethoxyphenyl)propan-2amine from 5HT2C receptor (unknown origin)


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126929
BindingDB Entry DOI: 10.7270/Q28W3HT5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50206724
PNG
(CHEMBL3912721)
Show SMILES C(C1CCC1)c1cccc2N3CCNCC3CCc12
Show InChI InChI=1S/C17H24N2/c1-3-13(4-1)11-14-5-2-6-17-16(14)8-7-15-12-18-9-10-19(15)17/h2,5-6,13,15,18H,1,3-4,7-12H2
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7.90n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from recombinant human 5-HT2A receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 5877-5882 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50001915
PNG
(1-(3-chlorophenyl)piperazine | CHEMBL478 | m-Chlor...)
Show SMILES Clc1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
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7.90n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from recombinant human 5-HT2C receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 5877-5882 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50541200
PNG
(CHEMBL4644872)
Show SMILES CC1CN2CCNCc3cc(C)c(Cl)c1c23
Show InChI InChI=1S/C13H17ClN2/c1-8-5-10-6-15-3-4-16-7-9(2)11(12(8)14)13(10)16/h5,9,15H,3-4,6-7H2,1-2H3
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8n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-1,4-Iodanyl-2,5-dimethoxyphenyl)propan-2amine from 5HT2C receptor (unknown origin)


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126929
BindingDB Entry DOI: 10.7270/Q28W3HT5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50001915
PNG
(1-(3-chlorophenyl)piperazine | CHEMBL478 | m-Chlor...)
Show SMILES Clc1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
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10n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from recombinant human 5-HT2B receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 5877-5882 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM472954
PNG
((R)-4-(methoxymethyl)-6,6a,7,8,9,10-hexahydro- 5H-...)
Show SMILES COCc1ccnc2N3CCNC[C@H]3CCc12 |r|
Show InChI InChI=1S/C13H19N3O/c1-17-9-10-4-5-15-13-12(10)3-2-11-8-14-6-7-16(11)13/h4-5,11,14H,2-3,6-9H2,1H3/t11-/m1/s1
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10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-DOI from recombinant human 5HT2CR transfected in human HEK293 cells incubated for 45 mins by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127872
BindingDB Entry DOI: 10.7270/Q2SF30VK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM472930
PNG
((R)-4-propyl-6,6a,7,8,9,10-hexahydro-5H- pyrazino[...)
Show SMILES CCCc1ccnc2N3CCNC[C@H]3CCc12 |r|
Show InChI InChI=1S/C14H21N3/c1-2-3-11-6-7-16-14-13(11)5-4-12-10-15-8-9-17(12)14/h6-7,12,15H,2-5,8-10H2,1H3/t12-/m1/s1
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10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSB from recombinant human 5HT2BR transfected in human HEK293 cells incubated for 45 mins by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127872
BindingDB Entry DOI: 10.7270/Q2SF30VK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50541168
PNG
(CHEMBL4648457)
Show SMILES Clc1ccc2CNCCN3CCOc1c23
Show InChI InChI=1S/C11H13ClN2O/c12-9-2-1-8-7-13-3-4-14-5-6-15-11(9)10(8)14/h1-2,13H,3-7H2
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11n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-1,4-Iodanyl-2,5-dimethoxyphenyl)propan-2amine from 5HT2C receptor (unknown origin)


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126929
BindingDB Entry DOI: 10.7270/Q28W3HT5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50541206
PNG
(CHEMBL4637882)
Show SMILES CC1(C)CN2CCNCc3ccc(F)c1c23
Show InChI InChI=1S/C13H17FN2/c1-13(2)8-16-6-5-15-7-9-3-4-10(14)11(13)12(9)16/h3-4,15H,5-8H2,1-2H3
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11n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-1,4-Iodanyl-2,5-dimethoxyphenyl)propan-2amine from 5HT2C receptor (unknown origin)


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126929
BindingDB Entry DOI: 10.7270/Q28W3HT5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50076245
PNG
(CHEMBL1628670 | US10544152, Cpd # 1 | WAY-163909)
Show SMILES [H][C@@]12CCC[C@]1([H])c1cccc3CNCCN2c13 |r|
Show InChI InChI=1S/C14H18N2/c1-3-10-9-15-7-8-16-13-6-2-4-11(13)12(5-1)14(10)16/h1,3,5,11,13,15H,2,4,6-9H2/t11-,13-/m1/s1
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11n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor (unknown origin)


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126929
BindingDB Entry DOI: 10.7270/Q28W3HT5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50459713
PNG
(CHEMBL4213447 | US10836764, Compound 176)
Show SMILES [H][C@]12CCc3c(CC4CCC4)ccnc3N1CCNC2 |r|
Show InChI InChI=1S/C16H23N3/c1-2-12(3-1)10-13-6-7-18-16-15(13)5-4-14-11-17-8-9-19(14)16/h6-7,12,14,17H,1-5,8-11H2/t14-/m1/s1
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13n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-DOI from recombinant human 5HT2AR transfected in human HEK293 cells incubated for 45 mins by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127872
BindingDB Entry DOI: 10.7270/Q2SF30VK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50557505
PNG
(CHEMBL4776557)
Show SMILES [H][C@]12CCc3c(CCC)cccc3N1CCNC2 |r|
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13n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSB from recombinant human 5HT2BR transfected in human HEK293 cells incubated for 45 mins by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127872
BindingDB Entry DOI: 10.7270/Q2SF30VK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50541197
PNG
(CHEMBL4646572)
Show SMILES FC(F)(F)CC1CN2CCNCc3ccc(Br)c1c23
Show InChI InChI=1S/C13H14BrF3N2/c14-10-2-1-8-6-18-3-4-19-7-9(5-13(15,16)17)11(10)12(8)19/h1-2,9,18H,3-7H2
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13n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-1,4-Iodanyl-2,5-dimethoxyphenyl)propan-2amine from 5HT2A receptor (unknown origin)


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126929
BindingDB Entry DOI: 10.7270/Q28W3HT5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50206719
PNG
(CHEMBL3956394)
Show SMILES Fc1ccc2N3CCNCC3CCc2c1Cc1ccccc1
Show InChI InChI=1S/C19H21FN2/c20-18-8-9-19-16(7-6-15-13-21-10-11-22(15)19)17(18)12-14-4-2-1-3-5-14/h1-5,8-9,15,21H,6-7,10-13H2
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13n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from recombinant human 5-HT2B receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 5877-5882 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50541208
PNG
(CHEMBL4634785)
Show SMILES [H][C@@]12CCC[C@]1([H])C1=CC=CC3CNCCN(C2)C13 |r,c:10,t:8|
Show InChI InChI=1S/C15H22N2/c1-3-11-9-16-7-8-17-10-12-4-2-5-13(12)14(6-1)15(11)17/h1,3,6,11-13,15-16H,2,4-5,7-10H2/t11?,12-,13-,15?/m0/s1
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14n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-1,4-Iodanyl-2,5-dimethoxyphenyl)propan-2amine from recombinant human 5HT2B receptor expressed in CHO cells measured after 120 ...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126929
BindingDB Entry DOI: 10.7270/Q28W3HT5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50541192
PNG
(CHEMBL4636196)
Show SMILES C1CC2(C1)CN1CCNCc3cccc2c13
Show InChI InChI=1S/C14H18N2/c1-3-11-9-15-7-8-16-10-14(5-2-6-14)12(4-1)13(11)16/h1,3-4,15H,2,5-10H2
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14n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-1,4-Iodanyl-2,5-dimethoxyphenyl)propan-2amine from 5HT2C receptor (unknown origin)


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126929
BindingDB Entry DOI: 10.7270/Q28W3HT5
More data for this
Ligand-Target Pair
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