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BDBM50140055 CHEMBL3754166

SMILES: Brc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1

InChI Key: InChIKey=JWPAYBAIIARWMG-UHFFFAOYSA-N

Data: 39 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 39 hits for monomerid = 50140055   
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))
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)


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)


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)


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)


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)


BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(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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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)


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)


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)


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)


BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
Alpha-2B 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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229n/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)


BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
D(3) dopamine 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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240n/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)


BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 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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355n/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)


BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
Alpha-2C 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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398n/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)


BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(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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479n/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)


BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
Serotonin (5-HT) 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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513n/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)


BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
Alpha-1A 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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631n/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)


BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
Kappa-type opioid 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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891n/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)


BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(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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955n/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)


BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline 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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1.00E+3n/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)


BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
Alpha-1D 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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1.12E+3n/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)


BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(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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1.48E+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)


BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
Mu-type opioid 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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1.74E+3n/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)


BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(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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2.00E+3n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to alpha-1B adrenergic receptor (unknown origin) by competition binding assay


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


BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
Serotonin (5-HT) 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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2.40E+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)


BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(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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2.51E+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)


BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
D(2) dopamine 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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4.37E+3n/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)


BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(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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<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)


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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<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)


BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
Alpha-2B 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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<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)


BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
Kappa-type opioid 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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<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)


BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(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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<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)


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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<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 6 (unknown origin) by competition binding assay


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


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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<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)


BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
Serotonin (5-HT) 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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<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 1E (unknown origin) by competition binding assay


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


BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 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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<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 2C (unknown origin) by competition binding assay


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


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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<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)


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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<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 2B (unknown origin) by competition binding assay


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


BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(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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<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)


BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
Alpha-2C 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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<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)


BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair