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PubMed code 26739781

Compile Data Set for Download or QSAR

Found 237 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
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50140055
PNG
(CHEMBL3754166)
Show SMILES Brc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Show InChI InChI=1S/C16H19BrN2/c1-3-8-19(9-4-2)10-7-13-12-18-16-6-5-14(17)11-15(13)16/h3-6,11-12,18H,1-2,7-10H2
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10n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT 1A (unknown origin) by competition binding assay


Bioorg Med Chem Lett 26: 959-64 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.053
BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50140053
PNG
(CHEMBL3754496)
Show SMILES Fc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Show InChI InChI=1S/C16H19FN2/c1-3-8-19(9-4-2)10-7-13-12-18-16-6-5-14(17)11-15(13)16/h3-6,11-12,18H,1-2,7-10H2
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17n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT 2B (unknown origin) by competition binding assay


Bioorg Med Chem Lett 26: 959-64 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.053
BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50435344
PNG
(CHEMBL2391541)
Show SMILES COc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Show InChI InChI=1S/C17H22N2O/c1-4-9-19(10-5-2)11-8-14-13-18-17-7-6-15(20-3)12-16(14)17/h4-7,12-13,18H,1-2,8-11H2,3H3
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19n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT 1A (unknown origin) by competition binding assay


Bioorg Med Chem Lett 26: 959-64 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.053
BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50435344
PNG
(CHEMBL2391541)
Show SMILES COc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Show InChI InChI=1S/C17H22N2O/c1-4-9-19(10-5-2)11-8-14-13-18-17-7-6-15(20-3)12-16(14)17/h4-7,12-13,18H,1-2,8-11H2,3H3
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20n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT 1A (unknown origin) by competition binding assay


Bioorg Med Chem Lett 26: 959-64 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.053
BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50140054
PNG
(CHEMBL3752900)
Show SMILES Clc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Show InChI InChI=1S/C16H19ClN2/c1-3-8-19(9-4-2)10-7-13-12-18-16-6-5-14(17)11-15(13)16/h3-6,11-12,18H,1-2,7-10H2
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30n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT 2B (unknown origin) by competition binding assay


Bioorg Med Chem Lett 26: 959-64 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.053
BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50140056
PNG
(CHEMBL3753318)
Show SMILES Cc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Show InChI InChI=1S/C17H22N2/c1-4-9-19(10-5-2)11-8-15-13-18-17-7-6-14(3)12-16(15)17/h4-7,12-13,18H,1-2,8-11H2,3H3
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32n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT 1A (unknown origin) by competition binding assay


Bioorg Med Chem Lett 26: 959-64 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.053
BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50140053
PNG
(CHEMBL3754496)
Show SMILES Fc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Show InChI InChI=1S/C16H19FN2/c1-3-8-19(9-4-2)10-7-13-12-18-16-6-5-14(17)11-15(13)16/h3-6,11-12,18H,1-2,7-10H2
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36n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to SERT (unknown origin) by competition binding assay


Bioorg Med Chem Lett 26: 959-64 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.053
BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50140054
PNG
(CHEMBL3752900)
Show SMILES Clc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Show InChI InChI=1S/C16H19ClN2/c1-3-8-19(9-4-2)10-7-13-12-18-16-6-5-14(17)11-15(13)16/h3-6,11-12,18H,1-2,7-10H2
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41n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to SERT (unknown origin) by competition binding assay


Bioorg Med Chem Lett 26: 959-64 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.053
BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50140055
PNG
(CHEMBL3754166)
Show SMILES Brc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Show InChI InChI=1S/C16H19BrN2/c1-3-8-19(9-4-2)10-7-13-12-18-16-6-5-14(17)11-15(13)16/h3-6,11-12,18H,1-2,7-10H2
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49n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT 7 (unknown origin) by competition binding assay


Bioorg Med Chem Lett 26: 959-64 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.053
BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50140055
PNG
(CHEMBL3754166)
Show SMILES Brc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Show InChI InChI=1S/C16H19BrN2/c1-3-8-19(9-4-2)10-7-13-12-18-16-6-5-14(17)11-15(13)16/h3-6,11-12,18H,1-2,7-10H2
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52n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT 2B (unknown origin) by competition binding assay


Bioorg Med Chem Lett 26: 959-64 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.053
BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50435344
PNG
(CHEMBL2391541)
Show SMILES COc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Show InChI InChI=1S/C17H22N2O/c1-4-9-19(10-5-2)11-8-14-13-18-17-7-6-15(20-3)12-16(14)17/h4-7,12-13,18H,1-2,8-11H2,3H3
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59n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT 2B (unknown origin) by competition binding assay


Bioorg Med Chem Lett 26: 959-64 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.053
BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50140054
PNG
(CHEMBL3752900)
Show SMILES Clc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Show InChI InChI=1S/C16H19ClN2/c1-3-8-19(9-4-2)10-7-13-12-18-16-6-5-14(17)11-15(13)16/h3-6,11-12,18H,1-2,7-10H2
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59n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT 1A (unknown origin) by competition binding assay


Bioorg Med Chem Lett 26: 959-64 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.053
BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50140056
PNG
(CHEMBL3753318)
Show SMILES Cc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Show InChI InChI=1S/C17H22N2/c1-4-9-19(10-5-2)11-8-15-13-18-17-7-6-14(3)12-16(15)17/h4-7,12-13,18H,1-2,8-11H2,3H3
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60n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT 2B (unknown origin) by competition binding assay


Bioorg Med Chem Lett 26: 959-64 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.053
BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50140058
PNG
(CHEMBL3752576)
Show SMILES C=CCN(CCc1c[nH]c2ccccc12)CC=C
Show InChI InChI=1S/C16H20N2/c1-3-10-18(11-4-2)12-9-14-13-17-16-8-6-5-7-15(14)16/h3-8,13,17H,1-2,9-12H2
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62n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT 2B (unknown origin) by competition binding assay


Bioorg Med Chem Lett 26: 959-64 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.053
BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50140054
PNG
(CHEMBL3752900)
Show SMILES Clc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Show InChI InChI=1S/C16H19ClN2/c1-3-8-19(9-4-2)10-7-13-12-18-16-6-5-14(17)11-15(13)16/h3-6,11-12,18H,1-2,7-10H2
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69n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT 6 (unknown origin) by competition binding assay


Bioorg Med Chem Lett 26: 959-64 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.053
BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50140054
PNG
(CHEMBL3752900)
Show SMILES Clc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Show InChI InChI=1S/C16H19ClN2/c1-3-8-19(9-4-2)10-7-13-12-18-16-6-5-14(17)11-15(13)16/h3-6,11-12,18H,1-2,7-10H2
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74n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT 7 (unknown origin) by competition binding assay


Bioorg Med Chem Lett 26: 959-64 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.053
BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(HUMAN)
BDBM50140056
PNG
(CHEMBL3753318)
Show SMILES Cc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Show InChI InChI=1S/C17H22N2/c1-4-9-19(10-5-2)11-8-15-13-18-17-7-6-14(3)12-16(15)17/h4-7,12-13,18H,1-2,8-11H2,3H3
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74n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to sigma 1 receptor (unknown origin) by competition binding assay


Bioorg Med Chem Lett 26: 959-64 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.053
BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50140053
PNG
(CHEMBL3754496)
Show SMILES Fc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Show InChI InChI=1S/C16H19FN2/c1-3-8-19(9-4-2)10-7-13-12-18-16-6-5-14(17)11-15(13)16/h3-6,11-12,18H,1-2,7-10H2
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74n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT 6 (unknown origin) by competition binding assay


Bioorg Med Chem Lett 26: 959-64 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.053
BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50140053
PNG
(CHEMBL3754496)
Show SMILES Fc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Show InChI InChI=1S/C16H19FN2/c1-3-8-19(9-4-2)10-7-13-12-18-16-6-5-14(17)11-15(13)16/h3-6,11-12,18H,1-2,7-10H2
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79n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to histamine H1 receptor (unknown origin) by competition binding assay


Bioorg Med Chem Lett 26: 959-64 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.053
BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50140053
PNG
(CHEMBL3754496)
Show SMILES Fc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Show InChI InChI=1S/C16H19FN2/c1-3-8-19(9-4-2)10-7-13-12-18-16-6-5-14(17)11-15(13)16/h3-6,11-12,18H,1-2,7-10H2
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79n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT 1A (unknown origin) by competition binding assay


Bioorg Med Chem Lett 26: 959-64 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.053
BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50140054
PNG
(CHEMBL3752900)
Show SMILES Clc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Show InChI InChI=1S/C16H19ClN2/c1-3-8-19(9-4-2)10-7-13-12-18-16-6-5-14(17)11-15(13)16/h3-6,11-12,18H,1-2,7-10H2
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81n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to alpha-2A adrenergic receptor (unknown origin) by competition binding assay


Bioorg Med Chem Lett 26: 959-64 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.053
BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50140055
PNG
(CHEMBL3754166)
Show SMILES Brc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Show InChI InChI=1S/C16H19BrN2/c1-3-8-19(9-4-2)10-7-13-12-18-16-6-5-14(17)11-15(13)16/h3-6,11-12,18H,1-2,7-10H2
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83n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to alpha-2A adrenergic receptor (unknown origin) by competition binding assay


Bioorg Med Chem Lett 26: 959-64 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.053
BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(HUMAN)
BDBM50140053
PNG
(CHEMBL3754496)
Show SMILES Fc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Show InChI InChI=1S/C16H19FN2/c1-3-8-19(9-4-2)10-7-13-12-18-16-6-5-14(17)11-15(13)16/h3-6,11-12,18H,1-2,7-10H2
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85n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to sigma 1 receptor (unknown origin) by competition binding assay


Bioorg Med Chem Lett 26: 959-64 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.053
BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50435344
PNG
(CHEMBL2391541)
Show SMILES COc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Show InChI InChI=1S/C17H22N2O/c1-4-9-19(10-5-2)11-8-14-13-18-17-7-6-15(20-3)12-16(14)17/h4-7,12-13,18H,1-2,8-11H2,3H3
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89n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT 7 (unknown origin) by competition binding assay


Bioorg Med Chem Lett 26: 959-64 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.053
BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(HUMAN)
BDBM50140054
PNG
(CHEMBL3752900)
Show SMILES Clc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Show InChI InChI=1S/C16H19ClN2/c1-3-8-19(9-4-2)10-7-13-12-18-16-6-5-14(17)11-15(13)16/h3-6,11-12,18H,1-2,7-10H2
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98n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to sigma 1 receptor (unknown origin) by competition binding assay


Bioorg Med Chem Lett 26: 959-64 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.053
BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (human))
BDBM50435344
PNG
(CHEMBL2391541)
Show SMILES COc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Show InChI InChI=1S/C17H22N2O/c1-4-9-19(10-5-2)11-8-14-13-18-17-7-6-15(20-3)12-16(14)17/h4-7,12-13,18H,1-2,8-11H2,3H3
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100n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT 1D (unknown origin) by competition binding assay


Bioorg Med Chem Lett 26: 959-64 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.053
BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(HUMAN)
BDBM50140058
PNG
(CHEMBL3752576)
Show SMILES C=CCN(CCc1c[nH]c2ccccc12)CC=C
Show InChI InChI=1S/C16H20N2/c1-3-10-18(11-4-2)12-9-14-13-17-16-8-6-5-7-15(14)16/h3-8,13,17H,1-2,9-12H2
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100n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to sigma 1 receptor (unknown origin) by competition binding assay


Bioorg Med Chem Lett 26: 959-64 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.053
BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50140058
PNG
(CHEMBL3752576)
Show SMILES C=CCN(CCc1c[nH]c2ccccc12)CC=C
Show InChI InChI=1S/C16H20N2/c1-3-10-18(11-4-2)12-9-14-13-17-16-8-6-5-7-15(14)16/h3-8,13,17H,1-2,9-12H2
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100n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT 1A (unknown origin) by competition binding assay


Bioorg Med Chem Lett 26: 959-64 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.053
BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50140054
PNG
(CHEMBL3752900)
Show SMILES Clc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Show InChI InChI=1S/C16H19ClN2/c1-3-8-19(9-4-2)10-7-13-12-18-16-6-5-14(17)11-15(13)16/h3-6,11-12,18H,1-2,7-10H2
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100n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to histamine H1 receptor (unknown origin) by competition binding assay


Bioorg Med Chem Lett 26: 959-64 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.053
BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50140055
PNG
(CHEMBL3754166)
Show SMILES Brc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Show InChI InChI=1S/C16H19BrN2/c1-3-8-19(9-4-2)10-7-13-12-18-16-6-5-14(17)11-15(13)16/h3-6,11-12,18H,1-2,7-10H2
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100n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to histamine H1 receptor (unknown origin) by competition binding assay


Bioorg Med Chem Lett 26: 959-64 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.053
BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50140053
PNG
(CHEMBL3754496)
Show SMILES Fc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Show InChI InChI=1S/C16H19FN2/c1-3-8-19(9-4-2)10-7-13-12-18-16-6-5-14(17)11-15(13)16/h3-6,11-12,18H,1-2,7-10H2
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102n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT 2C (unknown origin) by competition binding assay


Bioorg Med Chem Lett 26: 959-64 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.053
BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(HUMAN)
BDBM50140055
PNG
(CHEMBL3754166)
Show SMILES Brc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Show InChI InChI=1S/C16H19BrN2/c1-3-8-19(9-4-2)10-7-13-12-18-16-6-5-14(17)11-15(13)16/h3-6,11-12,18H,1-2,7-10H2
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102n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to sigma 1 receptor (unknown origin) by competition binding assay


Bioorg Med Chem Lett 26: 959-64 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.053
BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50140053
PNG
(CHEMBL3754496)
Show SMILES Fc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Show InChI InChI=1S/C16H19FN2/c1-3-8-19(9-4-2)10-7-13-12-18-16-6-5-14(17)11-15(13)16/h3-6,11-12,18H,1-2,7-10H2
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117n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to alpha-2A adrenergic receptor (unknown origin) by competition binding assay


Bioorg Med Chem Lett 26: 959-64 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.053
BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50140053
PNG
(CHEMBL3754496)
Show SMILES Fc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Show InChI InChI=1S/C16H19FN2/c1-3-8-19(9-4-2)10-7-13-12-18-16-6-5-14(17)11-15(13)16/h3-6,11-12,18H,1-2,7-10H2
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120n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to D3 dopamine receptor (unknown origin) by competition binding assay


Bioorg Med Chem Lett 26: 959-64 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.053
BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50140058
PNG
(CHEMBL3752576)
Show SMILES C=CCN(CCc1c[nH]c2ccccc12)CC=C
Show InChI InChI=1S/C16H20N2/c1-3-10-18(11-4-2)12-9-14-13-17-16-8-6-5-7-15(14)16/h3-8,13,17H,1-2,9-12H2
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123n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to alpha-2A adrenergic receptor (unknown origin) by competition binding assay


Bioorg Med Chem Lett 26: 959-64 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.053
BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50140058
PNG
(CHEMBL3752576)
Show SMILES C=CCN(CCc1c[nH]c2ccccc12)CC=C
Show InChI InChI=1S/C16H20N2/c1-3-10-18(11-4-2)12-9-14-13-17-16-8-6-5-7-15(14)16/h3-8,13,17H,1-2,9-12H2
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126n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to histamine H1 receptor (unknown origin) by competition binding assay


Bioorg Med Chem Lett 26: 959-64 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.053
BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50140055
PNG
(CHEMBL3754166)
Show SMILES Brc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Show InChI InChI=1S/C16H19BrN2/c1-3-8-19(9-4-2)10-7-13-12-18-16-6-5-14(17)11-15(13)16/h3-6,11-12,18H,1-2,7-10H2
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126n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to SERT (unknown origin) by competition binding assay


Bioorg Med Chem Lett 26: 959-64 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.053
BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (human))
BDBM50140055
PNG
(CHEMBL3754166)
Show SMILES Brc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Show InChI InChI=1S/C16H19BrN2/c1-3-8-19(9-4-2)10-7-13-12-18-16-6-5-14(17)11-15(13)16/h3-6,11-12,18H,1-2,7-10H2
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126n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT 1D (unknown origin) by competition binding assay


Bioorg Med Chem Lett 26: 959-64 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.053
BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50140055
PNG
(CHEMBL3754166)
Show SMILES Brc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Show InChI InChI=1S/C16H19BrN2/c1-3-8-19(9-4-2)10-7-13-12-18-16-6-5-14(17)11-15(13)16/h3-6,11-12,18H,1-2,7-10H2
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132n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT 6 (unknown origin) by competition binding assay


Bioorg Med Chem Lett 26: 959-64 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.053
BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50140054
PNG
(CHEMBL3752900)
Show SMILES Clc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Show InChI InChI=1S/C16H19ClN2/c1-3-8-19(9-4-2)10-7-13-12-18-16-6-5-14(17)11-15(13)16/h3-6,11-12,18H,1-2,7-10H2
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141n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to D3 dopamine receptor (unknown origin) by competition binding assay


Bioorg Med Chem Lett 26: 959-64 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.053
BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (human))
BDBM50435344
PNG
(CHEMBL2391541)
Show SMILES COc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Show InChI InChI=1S/C17H22N2O/c1-4-9-19(10-5-2)11-8-14-13-18-17-7-6-15(20-3)12-16(14)17/h4-7,12-13,18H,1-2,8-11H2,3H3
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150n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT 1D (unknown origin) by competition binding assay


Bioorg Med Chem Lett 26: 959-64 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.053
BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50140058
PNG
(CHEMBL3752576)
Show SMILES C=CCN(CCc1c[nH]c2ccccc12)CC=C
Show InChI InChI=1S/C16H20N2/c1-3-10-18(11-4-2)12-9-14-13-17-16-8-6-5-7-15(14)16/h3-8,13,17H,1-2,9-12H2
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151n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to SERT (unknown origin) by competition binding assay


Bioorg Med Chem Lett 26: 959-64 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.053
BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50140056
PNG
(CHEMBL3753318)
Show SMILES Cc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Show InChI InChI=1S/C17H22N2/c1-4-9-19(10-5-2)11-8-15-13-18-17-7-6-14(3)12-16(15)17/h4-7,12-13,18H,1-2,8-11H2,3H3
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155n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT 7 (unknown origin) by competition binding assay


Bioorg Med Chem Lett 26: 959-64 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.053
BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50435344
PNG
(CHEMBL2391541)
Show SMILES COc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Show InChI InChI=1S/C17H22N2O/c1-4-9-19(10-5-2)11-8-14-13-18-17-7-6-15(20-3)12-16(14)17/h4-7,12-13,18H,1-2,8-11H2,3H3
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155n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT 6 (unknown origin) by competition binding assay


Bioorg Med Chem Lett 26: 959-64 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.053
BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens)
BDBM50140054
PNG
(CHEMBL3752900)
Show SMILES Clc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Show InChI InChI=1S/C16H19ClN2/c1-3-8-19(9-4-2)10-7-13-12-18-16-6-5-14(17)11-15(13)16/h3-6,11-12,18H,1-2,7-10H2
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170n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to alpha-2B adrenergic receptor (unknown origin) by competition binding assay


Bioorg Med Chem Lett 26: 959-64 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.053
BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50140056
PNG
(CHEMBL3753318)
Show SMILES Cc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Show InChI InChI=1S/C17H22N2/c1-4-9-19(10-5-2)11-8-15-13-18-17-7-6-14(3)12-16(15)17/h4-7,12-13,18H,1-2,8-11H2,3H3
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195n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to alpha-2A adrenergic receptor (unknown origin) by competition binding assay


Bioorg Med Chem Lett 26: 959-64 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.053
BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50140054
PNG
(CHEMBL3752900)
Show SMILES Clc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Show InChI InChI=1S/C16H19ClN2/c1-3-8-19(9-4-2)10-7-13-12-18-16-6-5-14(17)11-15(13)16/h3-6,11-12,18H,1-2,7-10H2
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204n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT 2C (unknown origin) by competition binding assay


Bioorg Med Chem Lett 26: 959-64 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.053
BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (human))
BDBM50140054
PNG
(CHEMBL3752900)
Show SMILES Clc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Show InChI InChI=1S/C16H19ClN2/c1-3-8-19(9-4-2)10-7-13-12-18-16-6-5-14(17)11-15(13)16/h3-6,11-12,18H,1-2,7-10H2
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214n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT 1D (unknown origin) by competition binding assay


Bioorg Med Chem Lett 26: 959-64 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.053
BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50435344
PNG
(CHEMBL2391541)
Show SMILES COc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Show InChI InChI=1S/C17H22N2O/c1-4-9-19(10-5-2)11-8-14-13-18-17-7-6-15(20-3)12-16(14)17/h4-7,12-13,18H,1-2,8-11H2,3H3
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214n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to alpha-2A adrenergic receptor (unknown origin) by competition binding assay


Bioorg Med Chem Lett 26: 959-64 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.053
BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50435344
PNG
(CHEMBL2391541)
Show SMILES COc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Show InChI InChI=1S/C17H22N2O/c1-4-9-19(10-5-2)11-8-14-13-18-17-7-6-15(20-3)12-16(14)17/h4-7,12-13,18H,1-2,8-11H2,3H3
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CHEMBL
PC cid
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Article
PubMed
218n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT 2A (unknown origin) by competition binding assay


Bioorg Med Chem Lett 26: 959-64 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.053
BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 237 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%