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PubMed code 27261181

Compile data set for download or QSAR
Found 45 hits of Enzyme Inhibition Constant Data   
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
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50178978
PNG
(CHEMBL3815112)
Show SMILES COc1ccc(CCN(CCCc2ccccc2F)CCc2ccc3OCOc3c2)cc1OC
Show InChI InChI=1S/C28H32FNO4/c1-31-25-11-9-21(18-27(25)32-2)13-16-30(15-5-7-23-6-3-4-8-24(23)29)17-14-22-10-12-26-28(19-22)34-20-33-26/h3-4,6,8-12,18-19H,5,7,13-17,20H2,1-2H3
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1.70n/an/an/an/an/an/an/an/a



City University Of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT2B receptor measured after 90 mins by microbeta scintillation counting method


Bioorg Med Chem Lett 26: 3216-3219 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.079
BindingDB Entry DOI: 10.7270/Q29S1SXB
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50001775
PNG
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)
Show SMILES Cc1nc2sccn2c(=O)c1CCN1CCC(CC1)=C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
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1.80n/an/an/an/an/an/an/an/a



City University Of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5-HT2C receptor measured after 90 mins by microbeta scintillation counting method


Bioorg Med Chem Lett 26: 3216-3219 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.079
BindingDB Entry DOI: 10.7270/Q29S1SXB
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50178979
PNG
(CHEMBL3813796)
Show SMILES COc1ccc(CCN(CCCc2ccccc2Cl)CCc2ccc3OCOc3c2)cc1OC
Show InChI InChI=1S/C28H32ClNO4/c1-31-25-11-9-21(18-27(25)32-2)13-16-30(15-5-7-23-6-3-4-8-24(23)29)17-14-22-10-12-26-28(19-22)34-20-33-26/h3-4,6,8-12,18-19H,5,7,13-17,20H2,1-2H3
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3.10n/an/an/an/an/an/an/an/a



City University Of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT2B receptor measured after 90 mins by microbeta scintillation counting method


Bioorg Med Chem Lett 26: 3216-3219 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.079
BindingDB Entry DOI: 10.7270/Q29S1SXB
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50178980
PNG
(CHEMBL3813726)
Show SMILES COc1ccc(CCN(CCCc2ccccc2Br)CCc2ccc3OCOc3c2)cc1OC
Show InChI InChI=1S/C28H32BrNO4/c1-31-25-11-9-21(18-27(25)32-2)13-16-30(15-5-7-23-6-3-4-8-24(23)29)17-14-22-10-12-26-28(19-22)34-20-33-26/h3-4,6,8-12,18-19H,5,7,13-17,20H2,1-2H3
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3.40n/an/an/an/an/an/an/an/a



City University Of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT2B receptor measured after 90 mins by microbeta scintillation counting method


Bioorg Med Chem Lett 26: 3216-3219 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.079
BindingDB Entry DOI: 10.7270/Q29S1SXB
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50178981
PNG
(CHEMBL3813855)
Show SMILES COc1ccc(CCN(CCCc2ccccc2I)CCc2ccc3OCOc3c2)cc1OC
Show InChI InChI=1S/C28H32INO4/c1-31-25-11-9-21(18-27(25)32-2)13-16-30(15-5-7-23-6-3-4-8-24(23)29)17-14-22-10-12-26-28(19-22)34-20-33-26/h3-4,6,8-12,18-19H,5,7,13-17,20H2,1-2H3
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13n/an/an/an/an/an/an/an/a



City University Of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT2B receptor measured after 90 mins by microbeta scintillation counting method


Bioorg Med Chem Lett 26: 3216-3219 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.079
BindingDB Entry DOI: 10.7270/Q29S1SXB
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50178973
PNG
(CHEMBL3815066)
Show SMILES COc1ccc(CCN(CCCc2cccc(Br)c2)CCc2ccc3OCOc3c2)cc1OC
Show InChI InChI=1S/C28H32BrNO4/c1-31-25-10-8-22(18-27(25)32-2)12-15-30(14-4-6-21-5-3-7-24(29)17-21)16-13-23-9-11-26-28(19-23)34-20-33-26/h3,5,7-11,17-19H,4,6,12-16,20H2,1-2H3
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14n/an/an/an/an/an/an/an/a



City University Of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT2B receptor measured after 90 mins by microbeta scintillation counting method


Bioorg Med Chem Lett 26: 3216-3219 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.079
BindingDB Entry DOI: 10.7270/Q29S1SXB
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50178964
PNG
(CHEMBL3814737)
Show SMILES COc1ccc(CCN(CCCc2ccc(F)cc2)CCc2ccc3OCOc3c2)cc1OC
Show InChI InChI=1S/C28H32FNO4/c1-31-25-11-7-22(18-27(25)32-2)13-16-30(15-3-4-21-5-9-24(29)10-6-21)17-14-23-8-12-26-28(19-23)34-20-33-26/h5-12,18-19H,3-4,13-17,20H2,1-2H3
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14n/an/an/an/an/an/an/an/a



City University Of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT2B receptor measured after 90 mins by microbeta scintillation counting method


Bioorg Med Chem Lett 26: 3216-3219 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.079
BindingDB Entry DOI: 10.7270/Q29S1SXB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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15n/an/an/an/an/an/an/an/a



City University Of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor measured after 90 mins by microbeta scintillation counting method


Bioorg Med Chem Lett 26: 3216-3219 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.079
BindingDB Entry DOI: 10.7270/Q29S1SXB
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50178969
PNG
(CHEMBL3814821)
Show SMILES COc1ccc(CCN(CCCc2cccc(Cl)c2)CCc2ccc3OCOc3c2)cc1OC
Show InChI InChI=1S/C28H32ClNO4/c1-31-25-10-8-22(18-27(25)32-2)12-15-30(14-4-6-21-5-3-7-24(29)17-21)16-13-23-9-11-26-28(19-23)34-20-33-26/h3,5,7-11,17-19H,4,6,12-16,20H2,1-2H3
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17n/an/an/an/an/an/an/an/a



City University Of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT2B receptor measured after 90 mins by microbeta scintillation counting method


Bioorg Med Chem Lett 26: 3216-3219 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.079
BindingDB Entry DOI: 10.7270/Q29S1SXB
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50178977
PNG
(CHEMBL3814559)
Show SMILES COc1ccc(CCN(CCCc2cccc(I)c2)CCc2ccc3OCOc3c2)cc1OC
Show InChI InChI=1S/C28H32INO4/c1-31-25-10-8-22(18-27(25)32-2)12-15-30(14-4-6-21-5-3-7-24(29)17-21)16-13-23-9-11-26-28(19-23)34-20-33-26/h3,5,7-11,17-19H,4,6,12-16,20H2,1-2H3
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18n/an/an/an/an/an/an/an/a



City University Of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT2B receptor measured after 90 mins by microbeta scintillation counting method


Bioorg Med Chem Lett 26: 3216-3219 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.079
BindingDB Entry DOI: 10.7270/Q29S1SXB
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50178968
PNG
(CHEMBL3815000)
Show SMILES COc1ccc(CCN(CCCc2cccc(F)c2)CCc2ccc3OCOc3c2)cc1OC
Show InChI InChI=1S/C28H32FNO4/c1-31-25-10-8-22(18-27(25)32-2)12-15-30(14-4-6-21-5-3-7-24(29)17-21)16-13-23-9-11-26-28(19-23)34-20-33-26/h3,5,7-11,17-19H,4,6,12-16,20H2,1-2H3
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18n/an/an/an/an/an/an/an/a



City University Of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT2B receptor measured after 90 mins by microbeta scintillation counting method


Bioorg Med Chem Lett 26: 3216-3219 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.079
BindingDB Entry DOI: 10.7270/Q29S1SXB
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM82272
PNG
(SB 200646 | SB200646a)
Show SMILES Cn1ccc2cc(NC(=O)Nc3cccnc3)ccc12
Show InChI InChI=1S/C15H14N4O/c1-19-8-6-11-9-12(4-5-14(11)19)17-15(20)18-13-3-2-7-16-10-13/h2-10H,1H3,(H2,17,18,20)
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21n/an/an/an/an/an/an/an/a



City University Of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT2B receptor measured after 90 mins by microbeta scintillation counting method


Bioorg Med Chem Lett 26: 3216-3219 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.079
BindingDB Entry DOI: 10.7270/Q29S1SXB
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50178963
PNG
(CHEMBL3735756)
Show SMILES COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3OCOc3c2)cc1OC
Show InChI InChI=1S/C28H33NO4/c1-30-25-12-10-23(19-27(25)31-2)14-17-29(16-6-9-22-7-4-3-5-8-22)18-15-24-11-13-26-28(20-24)33-21-32-26/h3-5,7-8,10-13,19-20H,6,9,14-18,21H2,1-2H3
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26n/an/an/an/an/an/an/an/a



City University Of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT2B receptor measured after 90 mins by microbeta scintillation counting method


Bioorg Med Chem Lett 26: 3216-3219 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.079
BindingDB Entry DOI: 10.7270/Q29S1SXB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50178979
PNG
(CHEMBL3813796)
Show SMILES COc1ccc(CCN(CCCc2ccccc2Cl)CCc2ccc3OCOc3c2)cc1OC
Show InChI InChI=1S/C28H32ClNO4/c1-31-25-11-9-21(18-27(25)32-2)13-16-30(15-5-7-23-6-3-4-8-24(23)29)17-14-22-10-12-26-28(19-22)34-20-33-26/h3-4,6,8-12,18-19H,5,7,13-17,20H2,1-2H3
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43n/an/an/an/an/an/an/an/a



City University Of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor measured after 90 mins by microbeta scintillation counting method


Bioorg Med Chem Lett 26: 3216-3219 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.079
BindingDB Entry DOI: 10.7270/Q29S1SXB
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50178966
PNG
(CHEMBL3814485)
Show SMILES COc1ccc(CCN(CCCc2ccc(Br)cc2)CCc2ccc3OCOc3c2)cc1OC
Show InChI InChI=1S/C28H32BrNO4/c1-31-25-11-7-22(18-27(25)32-2)13-16-30(15-3-4-21-5-9-24(29)10-6-21)17-14-23-8-12-26-28(19-23)34-20-33-26/h5-12,18-19H,3-4,13-17,20H2,1-2H3
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45n/an/an/an/an/an/an/an/a



City University Of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT2B receptor measured after 90 mins by microbeta scintillation counting method


Bioorg Med Chem Lett 26: 3216-3219 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.079
BindingDB Entry DOI: 10.7270/Q29S1SXB
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50178967
PNG
(CHEMBL3813789)
Show SMILES COc1ccc(CCN(CCCc2ccc(I)cc2)CCc2ccc3OCOc3c2)cc1OC
Show InChI InChI=1S/C28H32INO4/c1-31-25-11-7-22(18-27(25)32-2)13-16-30(15-3-4-21-5-9-24(29)10-6-21)17-14-23-8-12-26-28(19-23)34-20-33-26/h5-12,18-19H,3-4,13-17,20H2,1-2H3
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51n/an/an/an/an/an/an/an/a



City University Of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT2B receptor measured after 90 mins by microbeta scintillation counting method


Bioorg Med Chem Lett 26: 3216-3219 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.079
BindingDB Entry DOI: 10.7270/Q29S1SXB
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50178965
PNG
(CHEMBL3814708)
Show SMILES COc1ccc(CCN(CCCc2ccc(Cl)cc2)CCc2ccc3OCOc3c2)cc1OC
Show InChI InChI=1S/C28H32ClNO4/c1-31-25-11-7-22(18-27(25)32-2)13-16-30(15-3-4-21-5-9-24(29)10-6-21)17-14-23-8-12-26-28(19-23)34-20-33-26/h5-12,18-19H,3-4,13-17,20H2,1-2H3
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54n/an/an/an/an/an/an/an/a



City University Of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT2B receptor measured after 90 mins by microbeta scintillation counting method


Bioorg Med Chem Lett 26: 3216-3219 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.079
BindingDB Entry DOI: 10.7270/Q29S1SXB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50178980
PNG
(CHEMBL3813726)
Show SMILES COc1ccc(CCN(CCCc2ccccc2Br)CCc2ccc3OCOc3c2)cc1OC
Show InChI InChI=1S/C28H32BrNO4/c1-31-25-11-9-21(18-27(25)32-2)13-16-30(15-5-7-23-6-3-4-8-24(23)29)17-14-22-10-12-26-28(19-22)34-20-33-26/h3-4,6,8-12,18-19H,5,7,13-17,20H2,1-2H3
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54n/an/an/an/an/an/an/an/a



City University Of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor measured after 90 mins by microbeta scintillation counting method


Bioorg Med Chem Lett 26: 3216-3219 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.079
BindingDB Entry DOI: 10.7270/Q29S1SXB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50178978
PNG
(CHEMBL3815112)
Show SMILES COc1ccc(CCN(CCCc2ccccc2F)CCc2ccc3OCOc3c2)cc1OC
Show InChI InChI=1S/C28H32FNO4/c1-31-25-11-9-21(18-27(25)32-2)13-16-30(15-5-7-23-6-3-4-8-24(23)29)17-14-22-10-12-26-28(19-22)34-20-33-26/h3-4,6,8-12,18-19H,5,7,13-17,20H2,1-2H3
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65n/an/an/an/an/an/an/an/a



City University Of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor measured after 90 mins by microbeta scintillation counting method


Bioorg Med Chem Lett 26: 3216-3219 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.079
BindingDB Entry DOI: 10.7270/Q29S1SXB
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50178981
PNG
(CHEMBL3813855)
Show SMILES COc1ccc(CCN(CCCc2ccccc2I)CCc2ccc3OCOc3c2)cc1OC
Show InChI InChI=1S/C28H32INO4/c1-31-25-11-9-21(18-27(25)32-2)13-16-30(15-5-7-23-6-3-4-8-24(23)29)17-14-22-10-12-26-28(19-22)34-20-33-26/h3-4,6,8-12,18-19H,5,7,13-17,20H2,1-2H3
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68n/an/an/an/an/an/an/an/a



City University Of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5-HT2C receptor measured after 90 mins by microbeta scintillation counting method


Bioorg Med Chem Lett 26: 3216-3219 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.079
BindingDB Entry DOI: 10.7270/Q29S1SXB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50178981
PNG
(CHEMBL3813855)
Show SMILES COc1ccc(CCN(CCCc2ccccc2I)CCc2ccc3OCOc3c2)cc1OC
Show InChI InChI=1S/C28H32INO4/c1-31-25-11-9-21(18-27(25)32-2)13-16-30(15-5-7-23-6-3-4-8-24(23)29)17-14-22-10-12-26-28(19-22)34-20-33-26/h3-4,6,8-12,18-19H,5,7,13-17,20H2,1-2H3
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75n/an/an/an/an/an/an/an/a



City University Of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor measured after 90 mins by microbeta scintillation counting method


Bioorg Med Chem Lett 26: 3216-3219 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.079
BindingDB Entry DOI: 10.7270/Q29S1SXB
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50178978
PNG
(CHEMBL3815112)
Show SMILES COc1ccc(CCN(CCCc2ccccc2F)CCc2ccc3OCOc3c2)cc1OC
Show InChI InChI=1S/C28H32FNO4/c1-31-25-11-9-21(18-27(25)32-2)13-16-30(15-5-7-23-6-3-4-8-24(23)29)17-14-22-10-12-26-28(19-22)34-20-33-26/h3-4,6,8-12,18-19H,5,7,13-17,20H2,1-2H3
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79n/an/an/an/an/an/an/an/a



City University Of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5-HT2C receptor measured after 90 mins by microbeta scintillation counting method


Bioorg Med Chem Lett 26: 3216-3219 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.079
BindingDB Entry DOI: 10.7270/Q29S1SXB
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50178979
PNG
(CHEMBL3813796)
Show SMILES COc1ccc(CCN(CCCc2ccccc2Cl)CCc2ccc3OCOc3c2)cc1OC
Show InChI InChI=1S/C28H32ClNO4/c1-31-25-11-9-21(18-27(25)32-2)13-16-30(15-5-7-23-6-3-4-8-24(23)29)17-14-22-10-12-26-28(19-22)34-20-33-26/h3-4,6,8-12,18-19H,5,7,13-17,20H2,1-2H3
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92n/an/an/an/an/an/an/an/a



City University Of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5-HT2C receptor measured after 90 mins by microbeta scintillation counting method


Bioorg Med Chem Lett 26: 3216-3219 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.079
BindingDB Entry DOI: 10.7270/Q29S1SXB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50178973
PNG
(CHEMBL3815066)
Show SMILES COc1ccc(CCN(CCCc2cccc(Br)c2)CCc2ccc3OCOc3c2)cc1OC
Show InChI InChI=1S/C28H32BrNO4/c1-31-25-10-8-22(18-27(25)32-2)12-15-30(14-4-6-21-5-3-7-24(29)17-21)16-13-23-9-11-26-28(19-23)34-20-33-26/h3,5,7-11,17-19H,4,6,12-16,20H2,1-2H3
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103n/an/an/an/an/an/an/an/a



City University Of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor measured after 90 mins by microbeta scintillation counting method


Bioorg Med Chem Lett 26: 3216-3219 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.079
BindingDB Entry DOI: 10.7270/Q29S1SXB
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50178980
PNG
(CHEMBL3813726)
Show SMILES COc1ccc(CCN(CCCc2ccccc2Br)CCc2ccc3OCOc3c2)cc1OC
Show InChI InChI=1S/C28H32BrNO4/c1-31-25-11-9-21(18-27(25)32-2)13-16-30(15-5-7-23-6-3-4-8-24(23)29)17-14-22-10-12-26-28(19-22)34-20-33-26/h3-4,6,8-12,18-19H,5,7,13-17,20H2,1-2H3
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124n/an/an/an/an/an/an/an/a



City University Of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5-HT2C receptor measured after 90 mins by microbeta scintillation counting method


Bioorg Med Chem Lett 26: 3216-3219 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.079
BindingDB Entry DOI: 10.7270/Q29S1SXB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50178969
PNG
(CHEMBL3814821)
Show SMILES COc1ccc(CCN(CCCc2cccc(Cl)c2)CCc2ccc3OCOc3c2)cc1OC
Show InChI InChI=1S/C28H32ClNO4/c1-31-25-10-8-22(18-27(25)32-2)12-15-30(14-4-6-21-5-3-7-24(29)17-21)16-13-23-9-11-26-28(19-23)34-20-33-26/h3,5,7-11,17-19H,4,6,12-16,20H2,1-2H3
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125n/an/an/an/an/an/an/an/a



City University Of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor measured after 90 mins by microbeta scintillation counting method


Bioorg Med Chem Lett 26: 3216-3219 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.079
BindingDB Entry DOI: 10.7270/Q29S1SXB
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50178964
PNG
(CHEMBL3814737)
Show SMILES COc1ccc(CCN(CCCc2ccc(F)cc2)CCc2ccc3OCOc3c2)cc1OC
Show InChI InChI=1S/C28H32FNO4/c1-31-25-11-7-22(18-27(25)32-2)13-16-30(15-3-4-21-5-9-24(29)10-6-21)17-14-23-8-12-26-28(19-23)34-20-33-26/h5-12,18-19H,3-4,13-17,20H2,1-2H3
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126n/an/an/an/an/an/an/an/a



City University Of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5-HT2C receptor measured after 90 mins by microbeta scintillation counting method


Bioorg Med Chem Lett 26: 3216-3219 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.079
BindingDB Entry DOI: 10.7270/Q29S1SXB
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50178973
PNG
(CHEMBL3815066)
Show SMILES COc1ccc(CCN(CCCc2cccc(Br)c2)CCc2ccc3OCOc3c2)cc1OC
Show InChI InChI=1S/C28H32BrNO4/c1-31-25-10-8-22(18-27(25)32-2)12-15-30(14-4-6-21-5-3-7-24(29)17-21)16-13-23-9-11-26-28(19-23)34-20-33-26/h3,5,7-11,17-19H,4,6,12-16,20H2,1-2H3
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143n/an/an/an/an/an/an/an/a



City University Of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5-HT2C receptor measured after 90 mins by microbeta scintillation counting method


Bioorg Med Chem Lett 26: 3216-3219 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.079
BindingDB Entry DOI: 10.7270/Q29S1SXB
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50178977
PNG
(CHEMBL3814559)
Show SMILES COc1ccc(CCN(CCCc2cccc(I)c2)CCc2ccc3OCOc3c2)cc1OC
Show InChI InChI=1S/C28H32INO4/c1-31-25-10-8-22(18-27(25)32-2)12-15-30(14-4-6-21-5-3-7-24(29)17-21)16-13-23-9-11-26-28(19-23)34-20-33-26/h3,5,7-11,17-19H,4,6,12-16,20H2,1-2H3
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154n/an/an/an/an/an/an/an/a



City University Of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5-HT2C receptor measured after 90 mins by microbeta scintillation counting method


Bioorg Med Chem Lett 26: 3216-3219 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.079
BindingDB Entry DOI: 10.7270/Q29S1SXB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50178963
PNG
(CHEMBL3735756)
Show SMILES COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3OCOc3c2)cc1OC
Show InChI InChI=1S/C28H33NO4/c1-30-25-12-10-23(19-27(25)31-2)14-17-29(16-6-9-22-7-4-3-5-8-22)18-15-24-11-13-26-28(20-24)33-21-32-26/h3-5,7-8,10-13,19-20H,6,9,14-18,21H2,1-2H3
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165n/an/an/an/an/an/an/an/a



City University Of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor measured after 90 mins by microbeta scintillation counting method


Bioorg Med Chem Lett 26: 3216-3219 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.079
BindingDB Entry DOI: 10.7270/Q29S1SXB
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50178968
PNG
(CHEMBL3815000)
Show SMILES COc1ccc(CCN(CCCc2cccc(F)c2)CCc2ccc3OCOc3c2)cc1OC
Show InChI InChI=1S/C28H32FNO4/c1-31-25-10-8-22(18-27(25)32-2)12-15-30(14-4-6-21-5-3-7-24(29)17-21)16-13-23-9-11-26-28(19-23)34-20-33-26/h3,5,7-11,17-19H,4,6,12-16,20H2,1-2H3
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167n/an/an/an/an/an/an/an/a



City University Of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5-HT2C receptor measured after 90 mins by microbeta scintillation counting method


Bioorg Med Chem Lett 26: 3216-3219 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.079
BindingDB Entry DOI: 10.7270/Q29S1SXB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50178977
PNG
(CHEMBL3814559)
Show SMILES COc1ccc(CCN(CCCc2cccc(I)c2)CCc2ccc3OCOc3c2)cc1OC
Show InChI InChI=1S/C28H32INO4/c1-31-25-10-8-22(18-27(25)32-2)12-15-30(14-4-6-21-5-3-7-24(29)17-21)16-13-23-9-11-26-28(19-23)34-20-33-26/h3,5,7-11,17-19H,4,6,12-16,20H2,1-2H3
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169n/an/an/an/an/an/an/an/a



City University Of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor measured after 90 mins by microbeta scintillation counting method


Bioorg Med Chem Lett 26: 3216-3219 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.079
BindingDB Entry DOI: 10.7270/Q29S1SXB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50178964
PNG
(CHEMBL3814737)
Show SMILES COc1ccc(CCN(CCCc2ccc(F)cc2)CCc2ccc3OCOc3c2)cc1OC
Show InChI InChI=1S/C28H32FNO4/c1-31-25-11-7-22(18-27(25)32-2)13-16-30(15-3-4-21-5-9-24(29)10-6-21)17-14-23-8-12-26-28(19-23)34-20-33-26/h5-12,18-19H,3-4,13-17,20H2,1-2H3
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185n/an/an/an/an/an/an/an/a



City University Of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor measured after 90 mins by microbeta scintillation counting method


Bioorg Med Chem Lett 26: 3216-3219 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.079
BindingDB Entry DOI: 10.7270/Q29S1SXB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50178968
PNG
(CHEMBL3815000)
Show SMILES COc1ccc(CCN(CCCc2cccc(F)c2)CCc2ccc3OCOc3c2)cc1OC
Show InChI InChI=1S/C28H32FNO4/c1-31-25-10-8-22(18-27(25)32-2)12-15-30(14-4-6-21-5-3-7-24(29)17-21)16-13-23-9-11-26-28(19-23)34-20-33-26/h3,5,7-11,17-19H,4,6,12-16,20H2,1-2H3
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185n/an/an/an/an/an/an/an/a



City University Of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor measured after 90 mins by microbeta scintillation counting method


Bioorg Med Chem Lett 26: 3216-3219 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.079
BindingDB Entry DOI: 10.7270/Q29S1SXB
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50178969
PNG
(CHEMBL3814821)
Show SMILES COc1ccc(CCN(CCCc2cccc(Cl)c2)CCc2ccc3OCOc3c2)cc1OC
Show InChI InChI=1S/C28H32ClNO4/c1-31-25-10-8-22(18-27(25)32-2)12-15-30(14-4-6-21-5-3-7-24(29)17-21)16-13-23-9-11-26-28(19-23)34-20-33-26/h3,5,7-11,17-19H,4,6,12-16,20H2,1-2H3
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206n/an/an/an/an/an/an/an/a



City University Of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5-HT2C receptor measured after 90 mins by microbeta scintillation counting method


Bioorg Med Chem Lett 26: 3216-3219 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.079
BindingDB Entry DOI: 10.7270/Q29S1SXB
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50178966
PNG
(CHEMBL3814485)
Show SMILES COc1ccc(CCN(CCCc2ccc(Br)cc2)CCc2ccc3OCOc3c2)cc1OC
Show InChI InChI=1S/C28H32BrNO4/c1-31-25-11-7-22(18-27(25)32-2)13-16-30(15-3-4-21-5-9-24(29)10-6-21)17-14-23-8-12-26-28(19-23)34-20-33-26/h5-12,18-19H,3-4,13-17,20H2,1-2H3
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219n/an/an/an/an/an/an/an/a



City University Of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5-HT2C receptor measured after 90 mins by microbeta scintillation counting method


Bioorg Med Chem Lett 26: 3216-3219 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.079
BindingDB Entry DOI: 10.7270/Q29S1SXB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50178966
PNG
(CHEMBL3814485)
Show SMILES COc1ccc(CCN(CCCc2ccc(Br)cc2)CCc2ccc3OCOc3c2)cc1OC
Show InChI InChI=1S/C28H32BrNO4/c1-31-25-11-7-22(18-27(25)32-2)13-16-30(15-3-4-21-5-9-24(29)10-6-21)17-14-23-8-12-26-28(19-23)34-20-33-26/h5-12,18-19H,3-4,13-17,20H2,1-2H3
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221n/an/an/an/an/an/an/an/a



City University Of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor measured after 90 mins by microbeta scintillation counting method


Bioorg Med Chem Lett 26: 3216-3219 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.079
BindingDB Entry DOI: 10.7270/Q29S1SXB
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50178967
PNG
(CHEMBL3813789)
Show SMILES COc1ccc(CCN(CCCc2ccc(I)cc2)CCc2ccc3OCOc3c2)cc1OC
Show InChI InChI=1S/C28H32INO4/c1-31-25-11-7-22(18-27(25)32-2)13-16-30(15-3-4-21-5-9-24(29)10-6-21)17-14-23-8-12-26-28(19-23)34-20-33-26/h5-12,18-19H,3-4,13-17,20H2,1-2H3
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224n/an/an/an/an/an/an/an/a



City University Of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5-HT2C receptor measured after 90 mins by microbeta scintillation counting method


Bioorg Med Chem Lett 26: 3216-3219 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.079
BindingDB Entry DOI: 10.7270/Q29S1SXB
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50178965
PNG
(CHEMBL3814708)
Show SMILES COc1ccc(CCN(CCCc2ccc(Cl)cc2)CCc2ccc3OCOc3c2)cc1OC
Show InChI InChI=1S/C28H32ClNO4/c1-31-25-11-7-22(18-27(25)32-2)13-16-30(15-3-4-21-5-9-24(29)10-6-21)17-14-23-8-12-26-28(19-23)34-20-33-26/h5-12,18-19H,3-4,13-17,20H2,1-2H3
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235n/an/an/an/an/an/an/an/a



City University Of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5-HT2C receptor measured after 90 mins by microbeta scintillation counting method


Bioorg Med Chem Lett 26: 3216-3219 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.079
BindingDB Entry DOI: 10.7270/Q29S1SXB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50178967
PNG
(CHEMBL3813789)
Show SMILES COc1ccc(CCN(CCCc2ccc(I)cc2)CCc2ccc3OCOc3c2)cc1OC
Show InChI InChI=1S/C28H32INO4/c1-31-25-11-7-22(18-27(25)32-2)13-16-30(15-3-4-21-5-9-24(29)10-6-21)17-14-23-8-12-26-28(19-23)34-20-33-26/h5-12,18-19H,3-4,13-17,20H2,1-2H3
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288n/an/an/an/an/an/an/an/a



City University Of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor measured after 90 mins by microbeta scintillation counting method


Bioorg Med Chem Lett 26: 3216-3219 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.079
BindingDB Entry DOI: 10.7270/Q29S1SXB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50178965
PNG
(CHEMBL3814708)
Show SMILES COc1ccc(CCN(CCCc2ccc(Cl)cc2)CCc2ccc3OCOc3c2)cc1OC
Show InChI InChI=1S/C28H32ClNO4/c1-31-25-11-7-22(18-27(25)32-2)13-16-30(15-3-4-21-5-9-24(29)10-6-21)17-14-23-8-12-26-28(19-23)34-20-33-26/h5-12,18-19H,3-4,13-17,20H2,1-2H3
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365n/an/an/an/an/an/an/an/a



City University Of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor measured after 90 mins by microbeta scintillation counting method


Bioorg Med Chem Lett 26: 3216-3219 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.079
BindingDB Entry DOI: 10.7270/Q29S1SXB
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50178963
PNG
(CHEMBL3735756)
Show SMILES COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3OCOc3c2)cc1OC
Show InChI InChI=1S/C28H33NO4/c1-30-25-12-10-23(19-27(25)31-2)14-17-29(16-6-9-22-7-4-3-5-8-22)18-15-24-11-13-26-28(20-24)33-21-32-26/h3-5,7-8,10-13,19-20H,6,9,14-18,21H2,1-2H3
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399n/an/an/an/an/an/an/an/a



City University Of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5-HT2C receptor measured after 90 mins by microbeta scintillation counting method


Bioorg Med Chem Lett 26: 3216-3219 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.079
BindingDB Entry DOI: 10.7270/Q29S1SXB
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50178979
PNG
(CHEMBL3813796)
Show SMILES COc1ccc(CCN(CCCc2ccccc2Cl)CCc2ccc3OCOc3c2)cc1OC
Show InChI InChI=1S/C28H32ClNO4/c1-31-25-11-9-21(18-27(25)32-2)13-16-30(15-5-7-23-6-3-4-8-24(23)29)17-14-22-10-12-26-28(19-22)34-20-33-26/h3-4,6,8-12,18-19H,5,7,13-17,20H2,1-2H3
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n/an/a 99n/an/an/an/an/an/a



City University Of New York

Curated by ChEMBL


Assay Description
Antagonist activity at human 5-HT2B receptor by PDSP assay


Bioorg Med Chem Lett 26: 3216-3219 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.079
BindingDB Entry DOI: 10.7270/Q29S1SXB
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50178978
PNG
(CHEMBL3815112)
Show SMILES COc1ccc(CCN(CCCc2ccccc2F)CCc2ccc3OCOc3c2)cc1OC
Show InChI InChI=1S/C28H32FNO4/c1-31-25-11-9-21(18-27(25)32-2)13-16-30(15-5-7-23-6-3-4-8-24(23)29)17-14-22-10-12-26-28(19-22)34-20-33-26/h3-4,6,8-12,18-19H,5,7,13-17,20H2,1-2H3
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n/an/a 135n/an/an/an/an/an/a



City University Of New York

Curated by ChEMBL


Assay Description
Antagonist activity at human 5-HT2B receptor by PDSP assay


Bioorg Med Chem Lett 26: 3216-3219 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.079
BindingDB Entry DOI: 10.7270/Q29S1SXB
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50178980
PNG
(CHEMBL3813726)
Show SMILES COc1ccc(CCN(CCCc2ccccc2Br)CCc2ccc3OCOc3c2)cc1OC
Show InChI InChI=1S/C28H32BrNO4/c1-31-25-11-9-21(18-27(25)32-2)13-16-30(15-5-7-23-6-3-4-8-24(23)29)17-14-22-10-12-26-28(19-22)34-20-33-26/h3-4,6,8-12,18-19H,5,7,13-17,20H2,1-2H3
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n/an/a 326n/an/an/an/an/an/a



City University Of New York

Curated by ChEMBL


Assay Description
Antagonist activity at human 5-HT2B receptor by PDSP assay


Bioorg Med Chem Lett 26: 3216-3219 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.079
BindingDB Entry DOI: 10.7270/Q29S1SXB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%