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Compile Data Set for Download or QSAR

Found 1020 hits with Last Name = 'schrader' and Initial = 'to'   
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
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50549891
PNG
(CHEMBL4790083)
Show SMILES O=C(CCS(=O)(=O)c1cccc2ncsc12)N1CC2CCC(C1)N2c1ccc(cn1)C#N |TLB:1:16:23:19.20|
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0.140n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]NMS from human recombinant muscarinic receptor M1 expressed in CHO-K1 cell membranes assessed as inhibition constant incubated fo...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00626
BindingDB Entry DOI: 10.7270/Q2445R41
More data for this
Ligand-Target Pair
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))
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))
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))
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))
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))
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))
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))
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))
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 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))
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 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))
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
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50549891
PNG
(CHEMBL4790083)
Show SMILES O=C(CCS(=O)(=O)c1cccc2ncsc12)N1CC2CCC(C1)N2c1ccc(cn1)C#N |TLB:1:16:23:19.20|
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0.840n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]NMS from human recombinant muscarinic receptor M3 expressed in CHO-K1 cell membranes assessed as inhibition constant incubated fo...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00626
BindingDB Entry DOI: 10.7270/Q2445R41
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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US Patent
1.19n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding assays were performed using the commercially available 5-HT2 receptor agonist [125I]DOI as the radioligand and nonspecific bindin...


US Patent US10836764 (2020)


BindingDB Entry DOI: 10.7270/Q22N55CP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM472951
PNG
((R)-4-isopentyl-6,6a,7,8,9,10-hexahydro-5H- pyrazi...)
Show SMILES CC(C)CCc1ccnc2N3CCNC[C@H]3CCc12 |r|
Show InChI InChI=1S/C16H25N3/c1-12(2)3-4-13-7-8-18-16-15(13)6-5-14-11-17-9-10-19(14)16/h7-8,12,14,17H,3-6,9-11H2,1-2H3/t14-/m1/s1
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1.28n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding assays were performed using the commercially available 5-HT2 receptor agonist [125I]DOI as the radioligand and nonspecific bindin...


US Patent US10836764 (2020)


BindingDB Entry DOI: 10.7270/Q22N55CP
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))
BDBM472955
PNG
((R)-4-(cyclohexylmethyl)-6,6a,7,8,9,10- hexahydro-...)
Show SMILES C(C1CCCCC1)c1ccnc2N3CCNC[C@H]3CCc12 |r|
Show InChI InChI=1S/C18H27N3/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/h8-9,14,16,19H,1-7,10-13H2/t16-/m1/s1
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1.39n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding assays were performed using the commercially available 5-HT2 receptor agonist [125I]DOI as the radioligand and nonspecific bindin...


US Patent US10836764 (2020)


BindingDB Entry DOI: 10.7270/Q22N55CP
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 2C


(Homo sapiens (Human))
BDBM50459714
PNG
(CHEMBL4204710 | US10836764, Compound 149)
Show SMILES [H][C@]12CCc3c(ccnc3N1CCNC2)C1CCC1 |r|
Show InChI InChI=1S/C15H21N3/c1-2-11(3-1)13-6-7-17-15-14(13)5-4-12-10-16-8-9-18(12)15/h6-7,11-12,16H,1-5,8-10H2/t12-/m1/s1
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1.41n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding assays were performed using the commercially available 5-HT2 receptor agonist [125I]DOI as the radioligand and nonspecific bindin...


US Patent US10836764 (2020)


BindingDB Entry DOI: 10.7270/Q22N55CP
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 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 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))
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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1.65n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding assays were performed using the commercially available 5-HT2 receptor agonist [125I]DOI as the radioligand and nonspecific bindin...


US Patent US10836764 (2020)


BindingDB Entry DOI: 10.7270/Q22N55CP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50459710
PNG
(CHEMBL4212834 | US10836764, Compound 128)
Show SMILES [H][C@]12CCc3c(Cc4ccc(F)cc4)ccnc3N1CCNC2 |r|
Show InChI InChI=1S/C18H20FN3/c19-15-3-1-13(2-4-15)11-14-7-8-21-18-17(14)6-5-16-12-20-9-10-22(16)18/h1-4,7-8,16,20H,5-6,9-12H2/t16-/m1/s1
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1.65n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding assays were performed using the commercially available 5-HT2 receptor agonist [125I]DOI as the radioligand and nonspecific bindin...


US Patent US10836764 (2020)


BindingDB Entry DOI: 10.7270/Q22N55CP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM473018
PNG
((R)-4-bromo-6,6a,7,8,9,10-hexahydro-5H- pyrazino[1...)
Show SMILES Brc1cncc2N3CCNC[C@H]3CCc12 |r|
Show InChI InChI=1S/C11H14BrN3/c12-10-6-14-7-11-9(10)2-1-8-5-13-3-4-15(8)11/h6-8,13H,1-5H2/t8-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding assays were performed using the commercially available 5-HT2 receptor agonist [125I]DOI as the radioligand and nonspecific bindin...


US Patent US10836764 (2020)


BindingDB Entry DOI: 10.7270/Q22N55CP
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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1.93n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding assays were performed using the commercially available 5-HT2 receptor agonist [125I]DOI as the radioligand and nonspecific bindin...


US Patent US10836764 (2020)


BindingDB Entry DOI: 10.7270/Q22N55CP
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))
BDBM472988
PNG
((R)-4-ethyl-3-propyl-6,6a,7,8,9,10-hexahydro-5H- p...)
Show SMILES CCCc1cnc2N3CCNC[C@H]3CCc2c1CC |r|
Show InChI InChI=1S/C16H25N3/c1-3-5-12-10-18-16-15(14(12)4-2)7-6-13-11-17-8-9-19(13)16/h10,13,17H,3-9,11H2,1-2H3/t13-/m1/s1
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2.14n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding assays were performed using the commercially available 5-HT2 receptor agonist [125I]DOI as the radioligand and nonspecific bindin...


US Patent US10836764 (2020)


BindingDB Entry DOI: 10.7270/Q22N55CP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50459710
PNG
(CHEMBL4212834 | US10836764, Compound 128)
Show SMILES [H][C@]12CCc3c(Cc4ccc(F)cc4)ccnc3N1CCNC2 |r|
Show InChI InChI=1S/C18H20FN3/c19-15-3-1-13(2-4-15)11-14-7-8-21-18-17(14)6-5-16-12-20-9-10-22(16)18/h1-4,7-8,16,20H,5-6,9-12H2/t16-/m1/s1
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2.15n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding assays were performed using the commercially available 5-HT2 receptor agonist [125I]DOI as the radioligand and nonspecific bindin...


US Patent US10836764 (2020)


BindingDB Entry DOI: 10.7270/Q22N55CP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50459714
PNG
(CHEMBL4204710 | US10836764, Compound 149)
Show SMILES [H][C@]12CCc3c(ccnc3N1CCNC2)C1CCC1 |r|
Show InChI InChI=1S/C15H21N3/c1-2-11(3-1)13-6-7-17-15-14(13)5-4-12-10-16-8-9-18(12)15/h6-7,11-12,16H,1-5,8-10H2/t12-/m1/s1
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2.27n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding assays were performed using the commercially available 5-HT2 receptor agonist [125I]DOI as the radioligand and nonspecific bindin...


US Patent US10836764 (2020)


BindingDB Entry DOI: 10.7270/Q22N55CP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM472923
PNG
((R)-4-pentyl-6,6a,7,8,9,10-hexahydro-5H- pyrazino[...)
Show SMILES CCCCCc1ccnc2N3CCNC[C@H]3CCc12 |r|
Show InChI InChI=1S/C16H25N3/c1-2-3-4-5-13-8-9-18-16-15(13)7-6-14-12-17-10-11-19(14)16/h8-9,14,17H,2-7,10-12H2,1H3/t14-/m1/s1
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2.30n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding assays were performed using the commercially available 5-HT2 receptor agonist [125I]DOI as the radioligand and nonspecific bindin...


US Patent US10836764 (2020)


BindingDB Entry DOI: 10.7270/Q22N55CP
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 2C


(Homo sapiens (Human))
BDBM472949
PNG
((R)-4-methyl-6,6a,7,8,9,10-hexahydro-5H- pyrazino[...)
Show SMILES Cc1ccnc2N3CCNC[C@H]3CCc12 |r|
Show InChI InChI=1S/C12H17N3/c1-9-4-5-14-12-11(9)3-2-10-8-13-6-7-15(10)12/h4-5,10,13H,2-3,6-8H2,1H3/t10-/m1/s1
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2.47n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding assays were performed using the commercially available 5-HT2 receptor agonist [125I]DOI as the radioligand and nonspecific bindin...


US Patent US10836764 (2020)


BindingDB Entry DOI: 10.7270/Q22N55CP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM472913
PNG
((R)-3-propyl-6,6a,7,8,9,10-hexahydro-5H- pyrazino[...)
Show SMILES CCCc1cnc2N3CCNC[C@H]3CCc2c1 |r|
Show InChI InChI=1S/C14H21N3/c1-2-3-11-8-12-4-5-13-10-15-6-7-17(13)14(12)16-9-11/h8-9,13,15H,2-7,10H2,1H3/t13-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding assays were performed using the commercially available 5-HT2 receptor agonist [125I]DOI as the radioligand and nonspecific bindin...


US Patent US10836764 (2020)


BindingDB Entry DOI: 10.7270/Q22N55CP
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 2A


(Homo sapiens (Human))
BDBM472948
PNG
((R)-4-(2-fluorobenzyl)-6,6a,7,8,9,10-hexahydro- 5H...)
Show SMILES Fc1ccccc1Cc1ccnc2N3CCNC[C@H]3CCc12 |r|
Show InChI InChI=1S/C18H20FN3/c19-17-4-2-1-3-14(17)11-13-7-8-21-18-16(13)6-5-15-12-20-9-10-22(15)18/h1-4,7-8,15,20H,5-6,9-12H2/t15-/m1/s1
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2.65n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding assays were performed using the commercially available 5-HT2 receptor agonist [125I]DOI as the radioligand and nonspecific bindin...


US Patent US10836764 (2020)


BindingDB Entry DOI: 10.7270/Q22N55CP
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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2.75n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding assays were performed using the commercially available 5-HT2 receptor agonist [125I]DOI as the radioligand and nonspecific bindin...


US Patent US10836764 (2020)


BindingDB Entry DOI: 10.7270/Q22N55CP
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 2B


(Homo sapiens (Human))
BDBM472949
PNG
((R)-4-methyl-6,6a,7,8,9,10-hexahydro-5H- pyrazino[...)
Show SMILES Cc1ccnc2N3CCNC[C@H]3CCc12 |r|
Show InChI InChI=1S/C12H17N3/c1-9-4-5-14-12-11(9)3-2-10-8-13-6-7-15(10)12/h4-5,10,13H,2-3,6-8H2,1H3/t10-/m1/s1
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2.95n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding assays were performed using the commercially available 5-HT2 receptor agonist [125I]DOI as the radioligand and nonspecific bindin...


US Patent US10836764 (2020)


BindingDB Entry DOI: 10.7270/Q22N55CP
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))
BDBM473013
PNG
((R)-3-chloro-4-(3,3,3-trifluoropropyl)- 6,6a,7,8,9...)
Show SMILES FC(F)(F)CCc1c(Cl)cnc2N3CCNC[C@H]3CCc12 |r|
Show InChI InChI=1S/C14H17ClF3N3/c15-12-8-20-13-11(10(12)3-4-14(16,17)18)2-1-9-7-19-5-6-21(9)13/h8-9,19H,1-7H2/t9-/m1/s1
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3.67n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding assays were performed using the commercially available 5-HT2 receptor agonist [125I]DOI as the radioligand and nonspecific bindin...


US Patent US10836764 (2020)


BindingDB Entry DOI: 10.7270/Q22N55CP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM473014
PNG
((R)-8-methyl-4-(3,3,3-trifluoropropyl)- 6,6a,7,8,9...)
Show SMILES CN1CCN2[C@H](CCc3c(CCC(F)(F)F)ccnc23)C1 |r|
Show InChI InChI=1S/C15H20F3N3/c1-20-8-9-21-12(10-20)2-3-13-11(4-6-15(16,17)18)5-7-19-14(13)21/h5,7,12H,2-4,6,8-10H2,1H3/t12-/m1/s1
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3.71n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding assays were performed using the commercially available 5-HT2 receptor agonist [125I]DOI as the radioligand and nonspecific bindin...


US Patent US10836764 (2020)


BindingDB Entry DOI: 10.7270/Q22N55CP
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
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