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13 similar compounds to monomer 50274042

Compile data set for download or QSAR
Wt: 317.2
BDBM85387
Wt: 288.1
BDBM50005254
Wt: 274.1
BDBM50005257
Purchase
Wt: 316.2
BDBM50005258
Wt: 244.1
BDBM50005262
Wt: 260.1
BDBM50005267
Purchase
Wt: 302.2
BDBM50024396
Wt: 274.1
BDBM50064708
Purchase
Wt: 288.1
BDBM50156186
Wt: 290.1
BDBM50156187
Wt: 290.1
BDBM50156189
Wt: 290.1
BDBM50156193
Wt: 290.1
BDBM50156196

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 128 hits for monomerid = 85387,50005254,50005257,50005258,50005262,50005267,50024396,50064708,50156186,50156187,50156189,50156193,50156196   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50005257
PNG
((+)-2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethy...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
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0.100n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT2A serotonin receptor


J Med Chem 47: 6034-41 (2004)


Article DOI: 10.1021/jm040082s
BindingDB Entry DOI: 10.7270/Q2R78DQ8
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50064708
PNG
((R)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine ...)
Show SMILES COc1cc(C[C@@H](C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3/t7-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT2A serotonin receptor


J Med Chem 47: 6034-41 (2004)


Article DOI: 10.1021/jm040082s
BindingDB Entry DOI: 10.7270/Q2R78DQ8
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50064708
PNG
((R)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine ...)
Show SMILES COc1cc(C[C@@H](C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3/t7-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
The compound was evaluated for binding affinity against Prothrombin


J Med Chem 60: 2605-2628 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50064708
PNG
((R)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine ...)
Show SMILES COc1cc(C[C@@H](C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3/t7-/m1/s1
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0.290n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor expressed in NIH3T3 cells


J Med Chem 51: 6808-28 (2008)


Article DOI: 10.1021/jm800771x
BindingDB Entry DOI: 10.7270/Q2KD1ZTR
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50064708
PNG
((R)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine ...)
Show SMILES COc1cc(C[C@@H](C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3/t7-/m1/s1
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0.390n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity towards [3H]- DOB -labeled 5-hydroxytryptamine 2 receptor sites in rat cortical homogenates


J Med Chem 30: 930-2 (1987)


Article DOI: 10.1021/jm00388a032
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50064708
PNG
((R)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine ...)
Show SMILES COc1cc(C[C@@H](C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3/t7-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to rat cortical membranes at 5-hydroxytryptamine 2 receptor binding site by using [3H]- DOB as a radioligand


J Med Chem 30: 1-12 (1987)


Article DOI: 10.1021/jm00384a001
BindingDB Entry DOI: 10.7270/Q29K4BS7
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50156193
PNG
((1R,2R)-2-Amino-1-(4-bromo-2,5-dimethoxy-phenyl)-p...)
Show SMILES COc1cc([C@@H](O)[C@@H](C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO3/c1-6(13)11(14)7-4-10(16-3)8(12)5-9(7)15-2/h4-6,11,14H,13H2,1-3H3/t6-,11+/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [125I](+/-)DOI from rat 5HT2A after 1 hr by beta scintillation counting method


J Med Chem 60: 2605-2628 (2017)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50156193
PNG
((1R,2R)-2-Amino-1-(4-bromo-2,5-dimethoxy-phenyl)-p...)
Show SMILES COc1cc([C@@H](O)[C@@H](C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO3/c1-6(13)11(14)7-4-10(16-3)8(12)5-9(7)15-2/h4-6,11,14H,13H2,1-3H3/t6-,11+/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT2A serotonin receptor


J Med Chem 47: 6034-41 (2004)


Article DOI: 10.1021/jm040082s
BindingDB Entry DOI: 10.7270/Q2R78DQ8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50005257
PNG
((+)-2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethy...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
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0.600n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 359: 1-6 (1999)


BindingDB Entry DOI: 10.7270/Q2862F09
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM50005257
PNG
((+)-2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethy...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
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0.600n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from recombinant human 5HT2A expressed in Syrian hamster AV12 cell membranes


J Med Chem 60: 2605-2628 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50005267
PNG
(2,5-dimethoxy-4-bromophenethylamine | 2-(4-Bromo-2...)
Show SMILES COc1cc(CCN)c(OC)cc1Br
Show InChI InChI=1S/C10H14BrNO2/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h5-6H,3-4,12H2,1-2H3
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0.660n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of (+/-)-[125I]DOI from human cloned 5HT2A receptor


J Med Chem 49: 5794-803 (2006)


Article DOI: 10.1021/jm060656o
BindingDB Entry DOI: 10.7270/Q2NS0TH3
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50005257
PNG
((+)-2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethy...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
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0.790n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity towards [3H]- DOB -labeled 5-hydroxytryptamine 2 receptor sites in rat cortical homogenates


J Med Chem 30: 930-2 (1987)


Article DOI: 10.1021/jm00388a032
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50005257
PNG
((+)-2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethy...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
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0.800n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Antagonist activity against human progesterone receptor (hPR) in T47D human breast cancer cell line


J Med Chem 60: 2605-2628 (2017)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50005267
PNG
(2,5-dimethoxy-4-bromophenethylamine | 2-(4-Bromo-2...)
Show SMILES COc1cc(CCN)c(OC)cc1Br
Show InChI InChI=1S/C10H14BrNO2/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h5-6H,3-4,12H2,1-2H3
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0.880n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of (+/-)-[125I]DOI from rat cloned 5HT2A receptor


J Med Chem 49: 5794-803 (2006)


Article DOI: 10.1021/jm060656o
BindingDB Entry DOI: 10.7270/Q2NS0TH3
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50005257
PNG
((+)-2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethy...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
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1n/an/an/an/an/an/an/an/a



University of Alberta

Curated by PDSP Ki Database




Neuropharmacology 33: 275-317 (1994)


BindingDB Entry DOI: 10.7270/Q2M043X2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50005267
PNG
(2,5-dimethoxy-4-bromophenethylamine | 2-(4-Bromo-2...)
Show SMILES COc1cc(CCN)c(OC)cc1Br
Show InChI InChI=1S/C10H14BrNO2/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h5-6H,3-4,12H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity against 5-hydroxytryptamine 2A receptor (D) labeled with [125I]-DOI.


J Med Chem 37: 1929-35 (1994)


Article DOI: 10.1021/jm00039a004
BindingDB Entry DOI: 10.7270/Q2GQ6WT0
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50156189
PNG
((1R,2S)-2-Amino-1-(4-bromo-2,5-dimethoxy-phenyl)-p...)
Show SMILES COc1cc([C@@H](O)[C@H](C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO3/c1-6(13)11(14)7-4-10(16-3)8(12)5-9(7)15-2/h4-6,11,14H,13H2,1-3H3/t6-,11-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Antagonist activity against human progesterone receptor (hPR) in T47D human breast cancer cell line


J Med Chem 60: 2605-2628 (2017)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50156189
PNG
((1R,2S)-2-Amino-1-(4-bromo-2,5-dimethoxy-phenyl)-p...)
Show SMILES COc1cc([C@@H](O)[C@H](C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO3/c1-6(13)11(14)7-4-10(16-3)8(12)5-9(7)15-2/h4-6,11,14H,13H2,1-3H3/t6-,11-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT2A serotonin receptor


J Med Chem 47: 6034-41 (2004)


Article DOI: 10.1021/jm040082s
BindingDB Entry DOI: 10.7270/Q2R78DQ8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50005257
PNG
((+)-2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethy...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
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1.17n/an/an/an/an/an/an/an/a



Vernalis Research

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 370: 114-23 (2004)


Article DOI: 10.1007/s00210-004-0951-4
BindingDB Entry DOI: 10.7270/Q2M32TBD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50005257
PNG
((+)-2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethy...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
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1.30n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 359: 1-6 (1999)


BindingDB Entry DOI: 10.7270/Q2862F09
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50005257
PNG
((+)-2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethy...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
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1.51n/an/an/an/an/an/an/an/a



Cerebrus Ltd

Curated by PDSP Ki Database




Br J Pharmacol 128: 13-20 (1999)


Article DOI: 10.1038/sj.bjp.0702751
BindingDB Entry DOI: 10.7270/Q2GH9GH2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50005257
PNG
((+)-2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethy...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
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2.20n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
In vitro binding to 5-hydroxytryptamine 2A receptor using [125 I]-DOI


J Med Chem 46: 3526-35 (2003)


Article DOI: 10.1021/jm030064v
BindingDB Entry DOI: 10.7270/Q20P0ZC1
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50005257
PNG
((+)-2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethy...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
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2.20n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinity at cloned rat 5-hydroxytryptamine 2A receptor using [3H]-DOB as radioligand


J Med Chem 44: 1003-10 (2001)


Article DOI: 10.1021/jm000491y
BindingDB Entry DOI: 10.7270/Q27P8XND
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50005257
PNG
((+)-2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethy...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
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2.60n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace 0.25 nM [125I](R)-DOI from binding sites in rat frontal cortex.


J Med Chem 34: 276-81 (1991)


Article DOI: 10.1021/jm00105a043
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50005257
PNG
((+)-2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethy...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
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2.80n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinity at cloned rat 5-hydroxytryptamine 2C receptor using [3H]-DOI as radioligand


J Med Chem 44: 1003-10 (2001)


Article DOI: 10.1021/jm000491y
BindingDB Entry DOI: 10.7270/Q27P8XND
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50005257
PNG
((+)-2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethy...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
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2.80n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
In vitro binding to 5-hydroxytryptamine 2C receptor using [125 I]-DOI


J Med Chem 46: 3526-35 (2003)


Article DOI: 10.1021/jm030064v
BindingDB Entry DOI: 10.7270/Q20P0ZC1
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50005257
PNG
((+)-2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethy...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
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2.88n/an/an/an/an/an/an/an/a



Cerebrus Ltd

Curated by PDSP Ki Database




Br J Pharmacol 128: 13-20 (1999)


Article DOI: 10.1038/sj.bjp.0702751
BindingDB Entry DOI: 10.7270/Q2GH9GH2
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50005257
PNG
((+)-2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethy...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
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3.01n/an/an/an/an/an/an/an/a



University of Alberta

Curated by PDSP Ki Database




Neuropharmacology 33: 275-317 (1994)


BindingDB Entry DOI: 10.7270/Q2M043X2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50005257
PNG
((+)-2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethy...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
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3.30n/an/an/an/an/an/an/an/a



Albany Medical College

Curated by PDSP Ki Database




Synapse 35: 144-50 (2000)


Article DOI: 10.1002/(SICI)1098-2396(200002)35:2
BindingDB Entry DOI: 10.7270/Q2ST7NDX
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50005257
PNG
((+)-2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethy...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
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6.10n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards rat hippocampal 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand


J Med Chem 39: 2953-61 (1996)


Article DOI: 10.1021/jm960199j
BindingDB Entry DOI: 10.7270/Q28914ZS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50005257
PNG
((+)-2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethy...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
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6.31n/an/an/an/an/an/an/an/a



Vernalis Research

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 370: 114-23 (2004)


Article DOI: 10.1007/s00210-004-0951-4
BindingDB Entry DOI: 10.7270/Q2M32TBD
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50156186
PNG
(1-(4-Bromo-2,5-dimethoxy-benzyl)-propylamine | CHE...)
Show SMILES CCC(N)Cc1cc(OC)c(Br)cc1OC
Show InChI InChI=1S/C12H18BrNO2/c1-4-9(14)5-8-6-12(16-3)10(13)7-11(8)15-2/h6-7,9H,4-5,14H2,1-3H3
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7.60n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT2A serotonin receptor


J Med Chem 47: 6034-41 (2004)


Article DOI: 10.1021/jm040082s
BindingDB Entry DOI: 10.7270/Q2R78DQ8
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50005254
PNG
(CHEMBL351858 | [2-(4-Bromo-2,5-dimethoxy-phenyl)-1...)
Show SMILES CNC(C)Cc1cc(OC)c(Br)cc1OC
Show InChI InChI=1S/C12H18BrNO2/c1-8(14-2)5-9-6-12(16-4)10(13)7-11(9)15-3/h6-8,14H,5H2,1-4H3
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7.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity towards [3H]- DOB -labeled 5-hydroxytryptamine 2 receptor sites in rat cortical homogenates


J Med Chem 30: 930-2 (1987)


Article DOI: 10.1021/jm00388a032
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50005257
PNG
((+)-2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethy...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
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7.76n/an/an/an/an/an/an/an/a



Cerebrus Ltd

Curated by PDSP Ki Database




Br J Pharmacol 128: 13-20 (1999)


Article DOI: 10.1038/sj.bjp.0702751
BindingDB Entry DOI: 10.7270/Q2GH9GH2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50156196
PNG
((1S,2R)-2-Amino-1-(4-bromo-2,5-dimethoxy-phenyl)-p...)
Show SMILES COc1cc([C@H](O)[C@@H](C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO3/c1-6(13)11(14)7-4-10(16-3)8(12)5-9(7)15-2/h4-6,11,14H,13H2,1-3H3/t6-,11-/m1/s1
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9.20n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT2A serotonin receptor


J Med Chem 47: 6034-41 (2004)


Article DOI: 10.1021/jm040082s
BindingDB Entry DOI: 10.7270/Q2R78DQ8
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50156196
PNG
((1S,2R)-2-Amino-1-(4-bromo-2,5-dimethoxy-phenyl)-p...)
Show SMILES COc1cc([C@H](O)[C@@H](C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO3/c1-6(13)11(14)7-4-10(16-3)8(12)5-9(7)15-2/h4-6,11,14H,13H2,1-3H3/t6-,11-/m1/s1
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9.20n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Human progesterone receptor (hPR) agonist activity in T47D human breast cancer cell line


J Med Chem 60: 2605-2628 (2017)

More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50156187
PNG
((1S,2S)-2-Amino-1-(4-bromo-2,5-dimethoxy-phenyl)-p...)
Show SMILES COc1cc([C@H](O)[C@H](C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO3/c1-6(13)11(14)7-4-10(16-3)8(12)5-9(7)15-2/h4-6,11,14H,13H2,1-3H3/t6-,11+/m0/s1
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10n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [125I](+/-)DOI from rat 5HT2A after 1 hr by beta scintillation counting method


J Med Chem 60: 2605-2628 (2017)

More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50005257
PNG
((+)-2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethy...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
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10n/an/an/an/an/an/an/an/a



Albany Medical College

Curated by PDSP Ki Database




Synapse 35: 144-50 (2000)


Article DOI: 10.1002/(SICI)1098-2396(200002)35:2
BindingDB Entry DOI: 10.7270/Q2ST7NDX
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50156187
PNG
((1S,2S)-2-Amino-1-(4-bromo-2,5-dimethoxy-phenyl)-p...)
Show SMILES COc1cc([C@H](O)[C@H](C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO3/c1-6(13)11(14)7-4-10(16-3)8(12)5-9(7)15-2/h4-6,11,14H,13H2,1-3H3/t6-,11+/m0/s1
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10n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT2A serotonin receptor


J Med Chem 47: 6034-41 (2004)


Article DOI: 10.1021/jm040082s
BindingDB Entry DOI: 10.7270/Q2R78DQ8
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50005257
PNG
((+)-2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethy...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
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10n/an/an/an/an/an/an/an/a



Albany Medical College

Curated by PDSP Ki Database




Ann N Y Acad Sci 861: 140-5 (1998)


Article DOI: 10.1111/cbdd.12663
BindingDB Entry DOI: 10.7270/Q2CV4G8J
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50005257
PNG
((+)-2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethy...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
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13n/an/an/an/an/an/an/an/a



University of Wisconsin-La Crosse

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from rat 5HT2A receptor expressed in mouse NIH3T3 cells


Bioorg Med Chem 16: 6242-51 (2008)


Article DOI: 10.1016/j.bmc.2008.04.030
BindingDB Entry DOI: 10.7270/Q2QZ29R4
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50005267
PNG
(2,5-dimethoxy-4-bromophenethylamine | 2-(4-Bromo-2...)
Show SMILES COc1cc(CCN)c(OC)cc1Br
Show InChI InChI=1S/C10H14BrNO2/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h5-6H,3-4,12H2,1-2H3
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16n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from NIH3T3 cells stably expressing rat 5-hydroxytryptamine 2A receptor


J Med Chem 43: 3074-84 (2000)


Article DOI: 10.1021/jm9906062
BindingDB Entry DOI: 10.7270/Q2NZ86VW
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(RAT)
BDBM50005257
PNG
((+)-2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethy...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
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21.8n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 359: 1-6 (1999)


BindingDB Entry DOI: 10.7270/Q2862F09
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50064708
PNG
((R)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine ...)
Show SMILES COc1cc(C[C@@H](C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3/t7-/m1/s1
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22n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Affinity at [3H]-ketanserin-labeled 5-hydroxytryptamine 2A receptor in rat brain homogenate was determined


J Med Chem 41: 2134-45 (1998)


Article DOI: 10.1021/jm980076u
BindingDB Entry DOI: 10.7270/Q2XD10T8
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50005257
PNG
((+)-2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethy...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
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22n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in Sprague-Dawley rat brain by liquid scintillation spectroscopy


Bioorg Med Chem 16: 4661-9 (2008)


Article DOI: 10.1016/j.bmc.2008.02.033
BindingDB Entry DOI: 10.7270/Q25D8RNZ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50005257
PNG
((+)-2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethy...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
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22n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards rat cortical 5-hydroxytryptamine 2A receptor using [3H]-ketanserin as radioligand


J Med Chem 39: 2953-61 (1996)


Article DOI: 10.1021/jm960199j
BindingDB Entry DOI: 10.7270/Q28914ZS
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50064708
PNG
((R)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine ...)
Show SMILES COc1cc(C[C@@H](C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3/t7-/m1/s1
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24n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity towards [3H]- ketanserin-labeled 5-hydroxytryptamine 2 receptor sites in rat cortical homogenates


J Med Chem 30: 930-2 (1987)


Article DOI: 10.1021/jm00388a032
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50064708
PNG
((R)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine ...)
Show SMILES COc1cc(C[C@@H](C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3/t7-/m1/s1
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24n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 2 receptor in rat frontal cortical membranes by [3H]- KET displacement.


J Med Chem 30: 1-12 (1987)


Article DOI: 10.1021/jm00384a001
BindingDB Entry DOI: 10.7270/Q29K4BS7
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50064708
PNG
((R)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine ...)
Show SMILES COc1cc(C[C@@H](C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3/t7-/m1/s1
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24n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to rat cortical membranes at 5-hydroxytryptamine 2 (5-HT2) receptor using [3H]KET as a radioligand


J Med Chem 30: 1-12 (1987)


Article DOI: 10.1021/jm00384a001
BindingDB Entry DOI: 10.7270/Q29K4BS7
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50064708
PNG
((R)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine ...)
Show SMILES COc1cc(C[C@@H](C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3/t7-/m1/s1
UniProtKB/SwissProt

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24n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor from frontal cortical regions of male Sprague-Dawley rat homogenates, using [3H]ketanserin as...


J Med Chem 35: 734-40 (1992)


Article DOI: 10.1021/jm00082a014
BindingDB Entry DOI: 10.7270/Q29K4BV4
More data for this
Ligand-Target Pair
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