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BDBM50435344 CHEMBL2391541

SMILES: COc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1

InChI Key: InChIKey=HGRHWEAUHXYNNP-UHFFFAOYSA-N

Data: 55 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 55 hits for monomerid = 50435344   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 1A (5-HT1A)


(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 (5-HT1A)


(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))
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 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
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
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
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-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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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
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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219n/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
Sigma non-opioid intracellular receptor 1


(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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302n/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
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
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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398n/an/an/an/an/an/an/an/a



UCL School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of [3H]Pentazocine from guinea pig sigma 1 receptor after 1 to 1.5 hrs by scintillation counting analysis


Bioorg Med Chem Lett 23: 3411-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.066
BindingDB Entry DOI: 10.7270/Q2474C7G
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
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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400n/an/an/an/an/an/an/an/a



UCL School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of [3H]Pentazocine from guinea pig sigma 1 receptor after 1 to 1.5 hrs by scintillation counting analysis


Bioorg Med Chem Lett 23: 3411-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.066
BindingDB Entry DOI: 10.7270/Q2474C7G
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 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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457n/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
Histamine H1 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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501n/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
Serotonin (5-HT) 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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501n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT 1E (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))
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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501n/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
Alpha-2B 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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724n/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
5-hydroxytryptamine receptor 1B


(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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741n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT 1B (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))
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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936n/an/an/an/an/an/an/an/a



UCL School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of [3H]Pyrilamine from human recombinant histamine H1 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting an...


Bioorg Med Chem Lett 23: 3411-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.066
BindingDB Entry DOI: 10.7270/Q2474C7G
More data for this
Ligand-Target Pair
Kappa-type opioid 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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1.12E+3n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to kappa type opioid 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))
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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1.26E+3n/an/an/an/an/an/an/an/a



UCL School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of [3H]Pyrilamine from human recombinant histamine H1 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting an...


Bioorg Med Chem Lett 23: 3411-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.066
BindingDB Entry DOI: 10.7270/Q2474C7G
More data for this
Ligand-Target Pair
Alpha-2C 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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1.48E+3n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to alpha-2C 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 receptor (H3)


(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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1.70E+3n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to histamine H3 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
Monoamine transporters; serotonin & dopamine


(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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3.16E+3n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to DAT (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 (5-HT) 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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3.31E+3n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT 5A (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 H2 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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4.25E+3n/an/an/an/an/an/an/an/a



UCL School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiotidine from human recombinant histamine H2 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting ana...


Bioorg Med Chem Lett 23: 3411-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.066
BindingDB Entry DOI: 10.7270/Q2474C7G
More data for this
Ligand-Target Pair
Histamine H2 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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4.27E+3n/an/an/an/an/an/an/an/a



UCL School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiotidine from human recombinant histamine H2 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting ana...


Bioorg Med Chem Lett 23: 3411-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.066
BindingDB Entry DOI: 10.7270/Q2474C7G
More data for this
Ligand-Target Pair
D(3) dopamine 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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>1.00E+4n/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-2B 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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<1.00E+4n/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-1D 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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>1.00E+4n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to alpha-1D 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-1A 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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>1.00E+4n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to alpha-1A 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
Kappa-type opioid 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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<1.00E+4n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to kappa type opioid 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
Mu-type opioid 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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>1.00E+4n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to mu type opioid 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 noradrenaline transporter


(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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>1.00E+4n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to NET (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


(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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<1.00E+4n/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-2C 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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<1.00E+4n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to alpha-2C 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
D(2) dopamine 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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>1.00E+4n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to D2 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
D(2) dopamine 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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>1.00E+4n/an/an/an/an/an/an/an/a



UCL School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human recombinant dopamine D2 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation count...


Bioorg Med Chem Lett 23: 3411-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.066
BindingDB Entry DOI: 10.7270/Q2474C7G
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(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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>1.00E+4n/an/an/an/an/an/an/an/a



UCL School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of [3H]Epibatidine from human recombinant alpha4beta4 nACh receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counti...


Bioorg Med Chem Lett 23: 3411-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.066
BindingDB Entry DOI: 10.7270/Q2474C7G
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(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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>1.00E+4n/an/an/an/an/an/an/an/a



UCL School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of [3H]Epibatidine from alpha4beta2 nACh receptor in HEK293 cells after 1 to 1.5 hrs by scintillation counting analysis


Bioorg Med Chem Lett 23: 3411-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.066
BindingDB Entry DOI: 10.7270/Q2474C7G
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(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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>1.00E+4n/an/an/an/an/an/an/an/a



UCL School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of [3H]Epibatidine from human recombinant alpha4beta2 nACh receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counti...


Bioorg Med Chem Lett 23: 3411-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.066
BindingDB Entry DOI: 10.7270/Q2474C7G
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha2/beta4


(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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>1.00E+4n/an/an/an/an/an/an/an/a



UCL School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of [3H]Epibatidine from human recombinant alpha2beta4 nACh receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counti...


Bioorg Med Chem Lett 23: 3411-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.066
BindingDB Entry DOI: 10.7270/Q2474C7G
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha2/beta2


(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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>1.00E+4n/an/an/an/an/an/an/an/a



UCL School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of [3H]Epibatidine from human recombinant alpha2beta2 nACh receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counti...


Bioorg Med Chem Lett 23: 3411-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.066
BindingDB Entry DOI: 10.7270/Q2474C7G
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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<1.00E+4n/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
5-hydroxytryptamine receptor 1A (5-HT1A)


(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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<1.00E+4n/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 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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<1.00E+4n/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 3A


(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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>1.00E+4n/an/an/an/an/an/an/an/a



UCL School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of [3H]LY278584 from human recombinant 5-HT3 receptor expressed in HEK293T cells after 1 to 1.5 hrs by scintillation counting analysis


Bioorg Med Chem Lett 23: 3411-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.066
BindingDB Entry DOI: 10.7270/Q2474C7G
More data for this
Ligand-Target Pair
Histamine H1 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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<1.00E+4n/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
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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PubMed
<1.00E+4n/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
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