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Compile Data Set for Download or QSAR

Found 165 hits Enz. Inhib. hit(s) with all data for entry = 50044031   
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))
BDBM50002630
PNG
(CHEMBL377174)
Show SMILES COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1ccc(C)cc1 |c:21|
Show InChI InChI=1S/C25H30N2O3/c1-19-6-8-20(9-7-19)22-12-15-27(25(22)28)21-10-11-23(29-2)24(18-21)30-17-16-26-13-4-3-5-14-26/h6-12,18H,3-5,13-17H2,1-2H3
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0.320n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002642
PNG
(CHEMBL213987)
Show SMILES COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1ccc(Cl)c(Cl)c1 |c:21|
Show InChI InChI=1S/C24H26Cl2N2O3/c1-30-22-8-6-18(16-23(22)31-14-13-27-10-3-2-4-11-27)28-12-9-19(24(28)29)17-5-7-20(25)21(26)15-17/h5-9,15-16H,2-4,10-14H2,1H3
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0.790n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002616
PNG
(CHEMBL213839)
Show SMILES COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1cccc(F)c1 |c:21|
Show InChI InChI=1S/C24H27FN2O3/c1-29-22-9-8-20(17-23(22)30-15-14-26-11-3-2-4-12-26)27-13-10-21(24(27)28)18-6-5-7-19(25)16-18/h5-10,16-17H,2-4,11-15H2,1H3
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0.790n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002678
PNG
(CHEMBL210053)
Show SMILES COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1ccc(Br)cc1 |c:21|
Show InChI InChI=1S/C24H27BrN2O3/c1-29-22-10-9-20(17-23(22)30-16-15-26-12-3-2-4-13-26)27-14-11-21(24(27)28)18-5-7-19(25)8-6-18/h5-11,17H,2-4,12-16H2,1H3
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1.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002663
PNG
(CHEMBL386332)
Show SMILES COc1ccc(cc1OCCN1CCC(C)CC1)N1CC=C(C1=O)c1ccc(C)cc1 |c:22|
Show InChI InChI=1S/C26H32N2O3/c1-19-4-6-21(7-5-19)23-12-15-28(26(23)29)22-8-9-24(30-3)25(18-22)31-17-16-27-13-10-20(2)11-14-27/h4-9,12,18,20H,10-11,13-17H2,1-3H3
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1.60n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002664
PNG
(CHEMBL212270)
Show SMILES COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1cccc(Cl)c1 |c:21|
Show InChI InChI=1S/C24H27ClN2O3/c1-29-22-9-8-20(17-23(22)30-15-14-26-11-3-2-4-12-26)27-13-10-21(24(27)28)18-6-5-7-19(25)16-18/h5-10,16-17H,2-4,11-15H2,1H3
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2.5n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002689
PNG
(CHEMBL209573)
Show SMILES COc1ccc(cc1OCCN1CCC(C)CC1)N1CC=C(C1=O)c1ccc(Cl)c(Cl)c1 |c:22|
Show InChI InChI=1S/C25H28Cl2N2O3/c1-17-7-10-28(11-8-17)13-14-32-24-16-19(4-6-23(24)31-2)29-12-9-20(25(29)30)18-3-5-21(26)22(27)15-18/h3-6,9,15-17H,7-8,10-14H2,1-2H3
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3.20n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002668
PNG
(CHEMBL215864)
Show SMILES COc1ccc(cc1OCCN1CCC(C)CC1)N1CC=C(C1=O)c1ccc(F)cc1 |c:22|
Show InChI InChI=1S/C25H29FN2O3/c1-18-9-12-27(13-10-18)15-16-31-24-17-21(7-8-23(24)30-2)28-14-11-22(25(28)29)19-3-5-20(26)6-4-19/h3-8,11,17-18H,9-10,12-16H2,1-2H3
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3.20n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002685
PNG
(CHEMBL211850)
Show SMILES COc1ccc(cc1OCCN1CCCC1)N1CC=C(C1=O)c1ccc(Cl)c(Cl)c1 |c:20|
Show InChI InChI=1S/C23H24Cl2N2O3/c1-29-21-7-5-17(15-22(21)30-13-12-26-9-2-3-10-26)27-11-8-18(23(27)28)16-4-6-19(24)20(25)14-16/h4-8,14-15H,2-3,9-13H2,1H3
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4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002625
PNG
(CHEMBL209432)
Show SMILES COc1ccc(cc1OCCN1CCC(C)CC1)N1CC=C(C1=O)c1ccc(Br)cc1 |c:22|
Show InChI InChI=1S/C25H29BrN2O3/c1-18-9-12-27(13-10-18)15-16-31-24-17-21(7-8-23(24)30-2)28-14-11-22(25(28)29)19-3-5-20(26)6-4-19/h3-8,11,17-18H,9-10,12-16H2,1-2H3
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4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002632
PNG
(CHEMBL376962)
Show SMILES COc1ccc(cc1OCCN1CCC(C)(C)CC1)N1CC=C(C1=O)c1ccc(Cl)c(Cl)c1 |c:23|
Show InChI InChI=1S/C26H30Cl2N2O3/c1-26(2)9-12-29(13-10-26)14-15-33-24-17-19(5-7-23(24)32-3)30-11-8-20(25(30)31)18-4-6-21(27)22(28)16-18/h4-8,16-17H,9-15H2,1-3H3
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4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002646
PNG
(CHEMBL210007)
Show SMILES COc1ccc(cc1OCCN1CCCCC1)C1=CCN(C1=O)c1ccc(Cl)c(Cl)c1 |t:19|
Show InChI InChI=1S/C24H26Cl2N2O3/c1-30-22-8-5-17(15-23(22)31-14-13-27-10-3-2-4-11-27)19-9-12-28(24(19)29)18-6-7-20(25)21(26)16-18/h5-9,15-16H,2-4,10-14H2,1H3
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5n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002676
PNG
(CHEMBL212886)
Show SMILES COc1ccc(cc1OCCN1CCC(C)CC1)N1CC=C(C1=O)c1cccc(Cl)c1 |c:22|
Show InChI InChI=1S/C25H29ClN2O3/c1-18-8-11-27(12-9-18)14-15-31-24-17-21(6-7-23(24)30-2)28-13-10-22(25(28)29)19-4-3-5-20(26)16-19/h3-7,10,16-18H,8-9,11-15H2,1-2H3
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5n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002647
PNG
(CHEMBL212064)
Show SMILES COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1cccc(c1)C(F)(F)F |c:21|
Show InChI InChI=1S/C25H27F3N2O3/c1-32-22-9-8-20(17-23(22)33-15-14-29-11-3-2-4-12-29)30-13-10-21(24(30)31)18-6-5-7-19(16-18)25(26,27)28/h5-10,16-17H,2-4,11-15H2,1H3
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5n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002669
PNG
(CHEMBL212769)
Show SMILES COc1ccc(cc1OCCN1CCC(C)CC1)N1CCC(C)(C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C26H32Cl2N2O3/c1-18-8-11-29(12-9-18)14-15-33-24-17-20(5-7-23(24)32-3)30-13-10-26(2,25(30)31)19-4-6-21(27)22(28)16-19/h4-7,16-18H,8-15H2,1-3H3
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5n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002687
PNG
(CHEMBL214398)
Show SMILES COc1ccc(cc1OCCN1CCCCC1)N1CCC(C)(C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C25H30Cl2N2O3/c1-25(18-6-8-20(26)21(27)16-18)10-13-29(24(25)30)19-7-9-22(31-2)23(17-19)32-15-14-28-11-4-3-5-12-28/h6-9,16-17H,3-5,10-15H2,1-2H3
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5n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002680
PNG
(CHEMBL387022)
Show SMILES COc1ccc(cc1Cl)N1CC=C(C1=O)c1ccc(OC)c(OCCN2CCCCC2)c1 |c:12|
Show InChI InChI=1S/C25H29ClN2O4/c1-30-22-9-7-19(17-21(22)26)28-13-10-20(25(28)29)18-6-8-23(31-2)24(16-18)32-15-14-27-11-4-3-5-12-27/h6-10,16-17H,3-5,11-15H2,1-2H3
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5n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002670
PNG
(CHEMBL386431)
Show SMILES COc1ccc(cc1OCCN1CCC(C)CC1)N1CC=C(C1=O)c1ccc(Cl)cc1 |c:22|
Show InChI InChI=1S/C25H29ClN2O3/c1-18-9-12-27(13-10-18)15-16-31-24-17-21(7-8-23(24)30-2)28-14-11-22(25(28)29)19-3-5-20(26)6-4-19/h3-8,11,17-18H,9-10,12-16H2,1-2H3
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6.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002681
PNG
(CHEMBL380020)
Show SMILES COc1ccc(cc1F)N1CC=C(C1=O)c1ccc(OC)c(OCCN2CCCCC2)c1 |c:12|
Show InChI InChI=1S/C25H29FN2O4/c1-30-22-9-7-19(17-21(22)26)28-13-10-20(25(28)29)18-6-8-23(31-2)24(16-18)32-15-14-27-11-4-3-5-12-27/h6-10,16-17H,3-5,11-15H2,1-2H3
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6.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002645
PNG
(CHEMBL438963)
Show SMILES COc1ccc(cc1OCCN1CCCCC1)C1=CCN(C1=O)c1cccc(F)c1 |t:19|
Show InChI InChI=1S/C24H27FN2O3/c1-29-22-9-8-18(16-23(22)30-15-14-26-11-3-2-4-12-26)21-10-13-27(24(21)28)20-7-5-6-19(25)17-20/h5-10,16-17H,2-4,11-15H2,1H3
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6.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002673
PNG
(CHEMBL213272)
Show SMILES COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1ccc(F)cc1 |c:21|
Show InChI InChI=1S/C24H27FN2O3/c1-29-22-10-9-20(17-23(22)30-16-15-26-12-3-2-4-13-26)27-14-11-21(24(27)28)18-5-7-19(25)8-6-18/h5-11,17H,2-4,12-16H2,1H3
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6.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002633
PNG
(CHEMBL211267)
Show SMILES COc1ccc(cc1OCCN1CCOCC1)N1CC=C(C1=O)c1ccc(Cl)c(Cl)c1 |c:21|
Show InChI InChI=1S/C23H24Cl2N2O4/c1-29-21-5-3-17(15-22(21)31-13-10-26-8-11-30-12-9-26)27-7-6-18(23(27)28)16-2-4-19(24)20(25)14-16/h2-6,14-15H,7-13H2,1H3
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6.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002679
PNG
(CHEMBL208894)
Show SMILES COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1ccc(Cl)cc1 |c:21|
Show InChI InChI=1S/C24H27ClN2O3/c1-29-22-10-9-20(17-23(22)30-16-15-26-12-3-2-4-13-26)27-14-11-21(24(27)28)18-5-7-19(25)8-6-18/h5-11,17H,2-4,12-16H2,1H3
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7.90n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002629
PNG
(CHEMBL210124)
Show SMILES COc1ccc(cc1OCCN1CCC(F)(F)CC1)N1CC=C(C1=O)c1ccc(Cl)c(Cl)c1 |c:23|
Show InChI InChI=1S/C24H24Cl2F2N2O3/c1-32-21-5-3-17(15-22(21)33-13-12-29-10-7-24(27,28)8-11-29)30-9-6-18(23(30)31)16-2-4-19(25)20(26)14-16/h2-6,14-15H,7-13H2,1H3
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7.90n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002686
PNG
(CHEMBL211466)
Show SMILES COc1ccc(cc1OCCN1CCC(C)CC1)N1CC=C(C1=O)c1ccc(Cl)c(F)c1 |c:22|
Show InChI InChI=1S/C25H28ClFN2O3/c1-17-7-10-28(11-8-17)13-14-32-24-16-19(4-6-23(24)31-2)29-12-9-20(25(29)30)18-3-5-21(26)22(27)15-18/h3-6,9,15-17H,7-8,10-14H2,1-2H3
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7.90n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002666
PNG
(CHEMBL427398)
Show SMILES COc1ccc(cc1OCCN1CCCCC1)C1CCN(C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H28Cl2N2O3/c1-30-22-8-5-17(15-23(22)31-14-13-27-10-3-2-4-11-27)19-9-12-28(24(19)29)18-6-7-20(25)21(26)16-18/h5-8,15-16,19H,2-4,9-14H2,1H3
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002623
PNG
(CHEMBL210059)
Show SMILES COc1ccc(cc1)N1CC=C(C1=O)c1ccc(OC)c(OCCN2CCCCC2)c1 |c:11|
Show InChI InChI=1S/C25H30N2O4/c1-29-21-9-7-20(8-10-21)27-15-12-22(25(27)28)19-6-11-23(30-2)24(18-19)31-17-16-26-13-4-3-5-14-26/h6-12,18H,3-5,13-17H2,1-2H3
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002684
PNG
(CHEMBL209674)
Show SMILES COc1ccc(cc1OCCN1CCCCC1)C1(C)CCN(C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C25H30Cl2N2O3/c1-25(10-13-29(24(25)30)19-7-8-20(26)21(27)17-19)18-6-9-22(31-2)23(16-18)32-15-14-28-11-4-3-5-12-28/h6-9,16-17H,3-5,10-15H2,1-2H3
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002624
PNG
(CHEMBL385921)
Show SMILES COc1ccc(cc1OCCN1CCCCC1)N1CCC(C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H28Cl2N2O3/c1-30-22-8-6-18(16-23(22)31-14-13-27-10-3-2-4-11-27)28-12-9-19(24(28)29)17-5-7-20(25)21(26)15-17/h5-8,15-16,19H,2-4,9-14H2,1H3
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13n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002622
PNG
(CHEMBL379336)
Show SMILES COc1ccc(cc1OCCN1CCC(C)(C)CC1)N1CCC(C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C26H32Cl2N2O3/c1-26(2)9-12-29(13-10-26)14-15-33-24-17-19(5-7-23(24)32-3)30-11-8-20(25(30)31)18-4-6-21(27)22(28)16-18/h4-7,16-17,20H,8-15H2,1-3H3
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13n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002627
PNG
(CHEMBL209735)
Show SMILES COc1ccc(cc1OCCN1CCC(CC1)C(C)C)N1CC=C(C1=O)c1ccc(Cl)c(Cl)c1 |c:24|
Show InChI InChI=1S/C27H32Cl2N2O3/c1-18(2)19-8-11-30(12-9-19)14-15-34-26-17-21(5-7-25(26)33-3)31-13-10-22(27(31)32)20-4-6-23(28)24(29)16-20/h4-7,10,16-19H,8-9,11-15H2,1-3H3
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13n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002634
PNG
(CHEMBL439504)
Show SMILES COc1ccc(cc1OCCN1CCC(C)CC1)N1CCC(C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C25H30Cl2N2O3/c1-17-7-10-28(11-8-17)13-14-32-24-16-19(4-6-23(24)31-2)29-12-9-20(25(29)30)18-3-5-21(26)22(27)15-18/h3-6,15-17,20H,7-14H2,1-2H3
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13n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002667
PNG
(CHEMBL209431)
Show SMILES COc1ccc(cc1OCCN1CCC(C)CC1)N1CC=C(C1=O)c1ccc(cc1)C(F)(F)F |c:22|
Show InChI InChI=1S/C26H29F3N2O3/c1-18-9-12-30(13-10-18)15-16-34-24-17-21(7-8-23(24)33-2)31-14-11-22(25(31)32)19-3-5-20(6-4-19)26(27,28)29/h3-8,11,17-18H,9-10,12-16H2,1-2H3
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13n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002674
PNG
(CHEMBL213328)
Show SMILES COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1ccc(cc1)C(F)(F)F |c:21|
Show InChI InChI=1S/C25H27F3N2O3/c1-32-22-10-9-20(17-23(22)33-16-15-29-12-3-2-4-13-29)30-14-11-21(24(30)31)18-5-7-19(8-6-18)25(26,27)28/h5-11,17H,2-4,12-16H2,1H3
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13n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002677
PNG
(CHEMBL209727)
Show SMILES COc1ccc(cc1F)N1CCC(C1=O)c1ccc(OC)c(OCCN2CCCCC2)c1
Show InChI InChI=1S/C25H31FN2O4/c1-30-22-9-7-19(17-21(22)26)28-13-10-20(25(28)29)18-6-8-23(31-2)24(16-18)32-15-14-27-11-4-3-5-12-27/h6-9,16-17,20H,3-5,10-15H2,1-2H3
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16n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002620
PNG
(CHEMBL211719)
Show SMILES COc1ccc(cc1Cl)N1CCC(C1=O)c1ccc(OC)c(OCCN2CCCCC2)c1
Show InChI InChI=1S/C25H31ClN2O4/c1-30-22-9-7-19(17-21(22)26)28-13-10-20(25(28)29)18-6-8-23(31-2)24(16-18)32-15-14-27-11-4-3-5-12-27/h6-9,16-17,20H,3-5,10-15H2,1-2H3
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20n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002671
PNG
(CHEMBL212686)
Show SMILES COc1ccc(cc1OCCN1CCCCC1)C1CCN(C1=O)c1cccc(F)c1
Show InChI InChI=1S/C24H29FN2O3/c1-29-22-9-8-18(16-23(22)30-15-14-26-11-3-2-4-12-26)21-10-13-27(24(21)28)20-7-5-6-19(25)17-20/h5-9,16-17,21H,2-4,10-15H2,1H3
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20n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002690
PNG
(CHEMBL386215)
Show SMILES COc1ccc(cc1OCCN1CCCCC1)N1CCC(C1=O)c1cccc(Cl)c1
Show InChI InChI=1S/C24H29ClN2O3/c1-29-22-9-8-20(17-23(22)30-15-14-26-11-3-2-4-12-26)27-13-10-21(24(27)28)18-6-5-7-19(25)16-18/h5-9,16-17,21H,2-4,10-15H2,1H3
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25n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002641
PNG
(CHEMBL209387)
Show SMILES COc1ccc(cc1OCCN1CCC(CC1)C(C)C)N1CCC(C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C27H34Cl2N2O3/c1-18(2)19-8-11-30(12-9-19)14-15-34-26-17-21(5-7-25(26)33-3)31-13-10-22(27(31)32)20-4-6-23(28)24(29)16-20/h4-7,16-19,22H,8-15H2,1-3H3
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25n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002688
PNG
(CHEMBL211103)
Show SMILES CC(=O)Nc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1ccc(Cl)c(Cl)c1 |c:23|
Show InChI InChI=1S/C25H27Cl2N3O3/c1-17(31)28-23-8-6-19(16-24(23)33-14-13-29-10-3-2-4-11-29)30-12-9-20(25(30)32)18-5-7-21(26)22(27)15-18/h5-9,15-16H,2-4,10-14H2,1H3,(H,28,31)
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50n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002639
PNG
(CHEMBL380264)
Show SMILES Clc1ccc(cc1Cl)C1=CCN(C1=O)c1ccc(Cl)c(OCCN2CCCCC2)c1 |t:9|
Show InChI InChI=1S/C23H23Cl3N2O2/c24-19-6-4-16(14-21(19)26)18-8-11-28(23(18)29)17-5-7-20(25)22(15-17)30-13-12-27-9-2-1-3-10-27/h4-8,14-15H,1-3,9-13H2
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63n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002682
PNG
(CHEMBL214397)
Show SMILES COc1ccc(cc1OCCN1CCCCC1)N1CCC(C1=O)c1cccc(F)c1
Show InChI InChI=1S/C24H29FN2O3/c1-29-22-9-8-20(17-23(22)30-15-14-26-11-3-2-4-12-26)27-13-10-21(24(27)28)18-6-5-7-19(25)16-18/h5-9,16-17,21H,2-4,10-15H2,1H3
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100n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002636
PNG
(CHEMBL211980)
Show SMILES Clc1ccc(cc1Cl)C1CCN(C1=O)c1ccc(Cl)c(OCCN2CCCCC2)c1
Show InChI InChI=1S/C23H25Cl3N2O2/c24-19-6-4-16(14-21(19)26)18-8-11-28(23(18)29)17-5-7-20(25)22(15-17)30-13-12-27-9-2-1-3-10-27/h4-7,14-15,18H,1-3,8-13H2
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100n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002640
PNG
(CHEMBL213358)
Show SMILES COc1ccc(cc1OCCN1CCCCC1)N1CCC(C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C24H29FN2O3/c1-29-22-10-9-20(17-23(22)30-16-15-26-12-3-2-4-13-26)27-14-11-21(24(27)28)18-5-7-19(25)8-6-18/h5-10,17,21H,2-4,11-16H2,1H3
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100n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002617
PNG
(CHEMBL213958)
Show SMILES COc1ccc(cc1)N1CCC(C1=O)c1ccc(OC)c(OCCN2CCCCC2)c1
Show InChI InChI=1S/C25H32N2O4/c1-29-21-9-7-20(8-10-21)27-15-12-22(25(27)28)19-6-11-23(30-2)24(18-19)31-17-16-26-13-4-3-5-14-26/h6-11,18,22H,3-5,12-17H2,1-2H3
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100n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002672
PNG
(CHEMBL209424)
Show SMILES Cc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1ccc(Cl)c(Cl)c1 |c:20|
Show InChI InChI=1S/C24H26Cl2N2O2/c1-17-5-7-19(16-23(17)30-14-13-27-10-3-2-4-11-27)28-12-9-20(24(28)29)18-6-8-21(25)22(26)15-18/h5-9,15-16H,2-4,10-14H2,1H3
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126n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50002646
PNG
(CHEMBL210007)
Show SMILES COc1ccc(cc1OCCN1CCCCC1)C1=CCN(C1=O)c1ccc(Cl)c(Cl)c1 |t:19|
Show InChI InChI=1S/C24H26Cl2N2O3/c1-30-22-8-5-17(15-23(22)31-14-13-27-10-3-2-4-11-27)19-9-12-28(24(19)29)18-6-7-20(25)21(26)16-18/h5-9,15-16H,2-4,10-14H2,1H3
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126n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2B receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002619
PNG
(CHEMBL212482)
Show SMILES COc1ccc(cc1OCCN1CCCCC1)C1=C(C)CN(C1=O)c1ccc(Cl)c(Cl)c1 |c:19|
Show InChI InChI=1S/C25H28Cl2N2O3/c1-17-16-29(19-7-8-20(26)21(27)15-19)25(30)24(17)18-6-9-22(31-2)23(14-18)32-13-12-28-10-4-3-5-11-28/h6-9,14-15H,3-5,10-13,16H2,1-2H3
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126n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50002678
PNG
(CHEMBL210053)
Show SMILES COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1ccc(Br)cc1 |c:21|
Show InChI InChI=1S/C24H27BrN2O3/c1-29-22-10-9-20(17-23(22)30-16-15-26-12-3-2-4-13-26)27-14-11-21(24(27)28)18-5-7-19(25)8-6-18/h5-11,17H,2-4,12-16H2,1H3
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158n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2A receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50002678
PNG
(CHEMBL210053)
Show SMILES COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1ccc(Br)cc1 |c:21|
Show InChI InChI=1S/C24H27BrN2O3/c1-29-22-10-9-20(17-23(22)30-16-15-26-12-3-2-4-13-26)27-14-11-21(24(27)28)18-5-7-19(25)8-6-18/h5-11,17H,2-4,12-16H2,1H3
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200n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2B receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
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