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Compile Data Set for Download or QSAR

Found 74 hits Enz. Inhib. hit(s) with all data for entry = 50012418   
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))
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))
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))
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))
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))
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 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))
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 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))
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))
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))
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))
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 2A


(Homo sapiens (Human))
BDBM50557506
PNG
(CHEMBL4757718)
Show SMILES [H][C@]12CCc3c(CCC(F)(F)F)cccc3N1CCNC2 |r|
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20n/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))
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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25n/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))
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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25n/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))
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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32n/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))
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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40n/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))
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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40n/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))
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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50n/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))
BDBM50557506
PNG
(CHEMBL4757718)
Show SMILES [H][C@]12CCc3c(CCC(F)(F)F)cccc3N1CCNC2 |r|
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100n/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))
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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100n/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))
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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126n/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 2B


(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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126n/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 2B


(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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200n/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 2B


(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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251n/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))
BDBM50557505
PNG
(CHEMBL4776557)
Show SMILES [H][C@]12CCc3c(CCC)cccc3N1CCNC2 |r|
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n/an/an/an/a 158n/an/an/an/a


TBA

Assay Description
Agonist activity at 5-HT2AR (unknown origin) transfected in human HEK293 cells by IP3 accumulation 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))
BDBM50557506
PNG
(CHEMBL4757718)
Show SMILES [H][C@]12CCc3c(CCC(F)(F)F)cccc3N1CCNC2 |r|
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n/an/an/an/a 1.00E+3n/an/an/an/a


TBA

Assay Description
Agonist activity at 5-HT2AR (unknown origin) transfected in human HEK293 cells by IP3 accumulation 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))
BDBM50459717
PNG
(CHEMBL4209572)
Show SMILES [H][C@]12CCc3cccnc3N1CCNC2 |r|
Show InChI InChI=1S/C11H15N3/c1-2-9-3-4-10-8-12-6-7-14(10)11(9)13-5-1/h1-2,5,10,12H,3-4,6-8H2/t10-/m1/s1
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n/an/an/an/a<1.00E+4n/an/an/an/a


TBA

Assay Description
Agonist activity at 5-HT2AR (unknown origin) transfected in human HEK293 cells by IP3 accumulation 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))
BDBM50557507
PNG
(CHEMBL4750216)
Show SMILES [H][C@]12CCc3c(Cl)ccnc3N1CCNC2 |r|
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n/an/an/an/a 1.26E+3n/an/an/an/a


TBA

Assay Description
Agonist activity at 5-HT2AR (unknown origin) transfected in human HEK293 cells by IP3 accumulation 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))
BDBM50557508
PNG
(CHEMBL4778104)
Show SMILES [H][C@]12CCc3c(ccnc3N1CCNC2)C1CC1 |r|
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n/an/an/an/a 398n/an/an/an/a


TBA

Assay Description
Agonist activity at 5-HT2AR (unknown origin) transfected in human HEK293 cells by IP3 accumulation 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))
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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n/an/an/an/a 50n/an/an/an/a


TBA

Assay Description
Agonist activity at 5-HT2AR (unknown origin) transfected in human HEK293 cells by IP3 accumulation 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))
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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n/an/an/an/a 1.00E+3n/an/an/an/a


TBA

Assay Description
Agonist activity at 5-HT2AR (unknown origin) transfected in human HEK293 cells by IP3 accumulation 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))
BDBM50459711
PNG
(CHEMBL4217846)
Show SMILES [H][C@]12CCc3ccncc3N1CCNC2 |r|
Show InChI InChI=1S/C11H15N3/c1-2-10-7-13-5-6-14(10)11-8-12-4-3-9(1)11/h3-4,8,10,13H,1-2,5-7H2/t10-/m1/s1
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n/an/an/an/a<1.00E+4n/an/an/an/a


TBA

Assay Description
Agonist activity at 5-HT2AR (unknown origin) transfected in human HEK293 cells by IP3 accumulation 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))
BDBM50557509
PNG
(CHEMBL4791279)
Show SMILES [H][C@]12CCc3cnccc3N1CCNC2 |r|
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n/an/an/an/a<1.00E+4n/an/an/an/a


TBA

Assay Description
Agonist activity at 5-HT2AR (unknown origin) transfected in human HEK293 cells by IP3 accumulation 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))
BDBM50557510
PNG
(CHEMBL4750329)
Show SMILES [H][C@]12CCc3c(CC4CCC4)nccc3N1CCNC2 |r|
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n/an/an/an/a<1.00E+4n/an/an/an/a


TBA

Assay Description
Agonist activity at 5-HT2AR (unknown origin) transfected in human HEK293 cells by IP3 accumulation 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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n/an/an/an/a 100n/an/an/an/a


TBA

Assay Description
Agonist activity at 5-HT2BR (unknown origin) transfected in human HEK293 cells by IP3 accumulation 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))
BDBM50557506
PNG
(CHEMBL4757718)
Show SMILES [H][C@]12CCc3c(CCC(F)(F)F)cccc3N1CCNC2 |r|
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n/an/an/an/a 3.16E+3n/an/an/an/a


TBA

Assay Description
Agonist activity at 5-HT2BR (unknown origin) transfected in human HEK293 cells by IP3 accumulation 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))
BDBM50459717
PNG
(CHEMBL4209572)
Show SMILES [H][C@]12CCc3cccnc3N1CCNC2 |r|
Show InChI InChI=1S/C11H15N3/c1-2-9-3-4-10-8-12-6-7-14(10)11(9)13-5-1/h1-2,5,10,12H,3-4,6-8H2/t10-/m1/s1
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n/an/an/an/a 63n/an/an/an/a


TBA

Assay Description
Agonist activity at 5-HT2BR (unknown origin) transfected in human HEK293 cells by IP3 accumulation 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))
BDBM50557507
PNG
(CHEMBL4750216)
Show SMILES [H][C@]12CCc3c(Cl)ccnc3N1CCNC2 |r|
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n/an/an/an/a 50n/an/an/an/a


TBA

Assay Description
Agonist activity at 5-HT2BR (unknown origin) transfected in human HEK293 cells by IP3 accumulation 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))
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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n/an/an/an/a 40n/an/an/an/a


TBA

Assay Description
Agonist activity at 5-HT2BR (unknown origin) transfected in human HEK293 cells by IP3 accumulation 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))
BDBM50557508
PNG
(CHEMBL4778104)
Show SMILES [H][C@]12CCc3c(ccnc3N1CCNC2)C1CC1 |r|
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n/an/an/an/a 16n/an/an/an/a


TBA

Assay Description
Agonist activity at 5-HT2BR (unknown origin) transfected in human HEK293 cells by IP3 accumulation 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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n/an/an/an/a 200n/an/an/an/a


TBA

Assay Description
Agonist activity at 5-HT2BR (unknown origin) transfected in human HEK293 cells by IP3 accumulation 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))
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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n/an/an/an/a 158n/an/an/an/a


TBA

Assay Description
Agonist activity at 5-HT2BR (unknown origin) transfected in human HEK293 cells by IP3 accumulation 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))
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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n/an/an/an/a 794n/an/an/an/a


TBA

Assay Description
Agonist activity at 5-HT2BR (unknown origin) transfected in human HEK293 cells by IP3 accumulation 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))
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
PDB

Reactome pathway
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UniProtKB/SwissProt

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n/an/an/an/a 316n/an/an/an/a


TBA

Assay Description
Agonist activity at 5-HT2BR (unknown origin) transfected in human HEK293 cells by IP3 accumulation 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
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