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Compile Data Set for Download or QSAR

Found 251 hits with Last Name = 'jensen' and Initial = 'nh'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50131665
PNG
(C-(8-Bromo-6-methoxy-4,5-dihydro-3H-naphtho[1,8-bc...)
Show SMILES COc1cc(Br)c2occ3CC[C@@H](CN)c1c23
Show InChI InChI=1S/C13H14BrNO2/c1-16-10-4-9(14)13-12-8(6-17-13)3-2-7(5-15)11(10)12/h4,6-7H,2-3,5,15H2,1H3/t7-/m0/s1
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1.10n/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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM21342
PNG
((4R,7R)-N,N-diethyl-6-methyl-6,11-diazatetracyclo[...)
Show SMILES [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N(CC)CC)c34 |c:12|
Show InChI InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to bind to 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand


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
5-hydroxytryptamine receptor 2A


(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
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50131665
PNG
(C-(8-Bromo-6-methoxy-4,5-dihydro-3H-naphtho[1,8-bc...)
Show SMILES COc1cc(Br)c2occ3CC[C@@H](CN)c1c23
Show InChI InChI=1S/C13H14BrNO2/c1-16-10-4-9(14)13-12-8(6-17-13)3-2-7(5-15)11(10)12/h4,6-7H,2-3,5,15H2,1H3/t7-/m0/s1
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2.60n/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
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50131668
PNG
(C-(8-Bromo-6-methoxy-2a,3,4,5-tetrahydro-2H-naphth...)
Show SMILES COc1cc(Br)c2OC[C@H]3CC[C@@H](CN)c1c23
Show InChI InChI=1S/C13H16BrNO2/c1-16-10-4-9(14)13-12-8(6-17-13)3-2-7(5-15)11(10)12/h4,7-8H,2-3,5-6,15H2,1H3/t7-,8+/m0/s1
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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
5-hydroxytryptamine receptor 2C


(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
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM21342
PNG
((4R,7R)-N,N-diethyl-6-methyl-6,11-diazatetracyclo[...)
Show SMILES [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N(CC)CC)c34 |c:12|
Show InChI InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1
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3.5n/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
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50064706
PNG
((2aS,4R)-8-Bromo-6-methoxy-2a,3,4,5-tetrahydro-2H-...)
Show SMILES COc1cc(Br)c2OC[C@H]3C[C@@H](N)Cc1c23
Show InChI InChI=1S/C12H14BrNO2/c1-15-10-4-9(13)12-11-6(5-16-12)2-7(14)3-8(10)11/h4,6-7H,2-3,5,14H2,1H3/t6-,7-/m1/s1
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4n/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
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50131669
PNG
(C-(8-Bromo-6-methoxy-2a,3,4,5-tetrahydro-2H-naphth...)
Show SMILES COc1cc(Br)c2OC[C@@H]3CC[C@@H](CN)c1c23
Show InChI InChI=1S/C13H16BrNO2/c1-16-10-4-9(14)13-12-8(6-17-13)3-2-7(5-15)11(10)12/h4,7-8H,2-3,5-6,15H2,1H3/t7-,8-/m0/s1
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4.90n/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
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM21342
PNG
((4R,7R)-N,N-diethyl-6-methyl-6,11-diazatetracyclo[...)
Show SMILES [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N(CC)CC)c34 |c:12|
Show InChI InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1
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5.5n/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
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50131668
PNG
(C-(8-Bromo-6-methoxy-2a,3,4,5-tetrahydro-2H-naphth...)
Show SMILES COc1cc(Br)c2OC[C@H]3CC[C@@H](CN)c1c23
Show InChI InChI=1S/C13H16BrNO2/c1-16-10-4-9(14)13-12-8(6-17-13)3-2-7(5-15)11(10)12/h4,7-8H,2-3,5-6,15H2,1H3/t7-,8+/m0/s1
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8.70n/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
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50131669
PNG
(C-(8-Bromo-6-methoxy-2a,3,4,5-tetrahydro-2H-naphth...)
Show SMILES COc1cc(Br)c2OC[C@@H]3CC[C@@H](CN)c1c23
Show InChI InChI=1S/C13H16BrNO2/c1-16-10-4-9(14)13-12-8(6-17-13)3-2-7(5-15)11(10)12/h4,7-8H,2-3,5-6,15H2,1H3/t7-,8-/m0/s1
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9.30n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to bind to 5-hydroxytryptamine 2A receptor using [125 I]-DOI as radioligand


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
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50131670
PNG
(C-(6-Methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-5...)
Show SMILES COc1ccc2occ3CC[C@@H](CN)c1c23
Show InChI InChI=1S/C13H15NO2/c1-15-10-4-5-11-13-9(7-16-11)3-2-8(6-14)12(10)13/h4-5,7-8H,2-3,6,14H2,1H3/t8-/m0/s1
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11n/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
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50256779
PNG
(CHEMBL451232 | trans-[2-(2-Chloro-4-fluorophenyl)c...)
Show SMILES NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl |r|
Show InChI InChI=1S/C10H11ClFN/c11-10-4-7(12)1-2-8(10)9-3-6(9)5-13/h1-2,4,6,9H,3,5,13H2/t6-,9+/m1/s1
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16n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT2B receptor


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50064706
PNG
((2aS,4R)-8-Bromo-6-methoxy-2a,3,4,5-tetrahydro-2H-...)
Show SMILES COc1cc(Br)c2OC[C@H]3C[C@@H](N)Cc1c23
Show InChI InChI=1S/C12H14BrNO2/c1-15-10-4-9(13)12-11-6(5-16-12)2-7(14)3-8(10)11/h4,6-7H,2-3,5,14H2,1H3/t6-,7-/m1/s1
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16n/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
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50257333
PNG
((+)-(S,S)-trans-[2-(2-Bromophenyl)cyclopropyl]meth...)
Show SMILES NC[C@H]1C[C@@H]1c1ccccc1Br |r|
Show InChI InChI=1S/C10H12BrN/c11-10-4-2-1-3-8(10)9-5-7(9)6-12/h1-4,7,9H,5-6,12H2/t7-,9+/m1/s1
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16n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT2B receptor


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50257335
PNG
(CHEMBL492916 | trans-[2-(2-Bromophenyl)cyclopropyl...)
Show SMILES NCC1CC1c1ccccc1Br
Show InChI InChI=1S/C10H12BrN/c11-10-4-2-1-3-8(10)9-5-7(9)6-12/h1-4,7,9H,5-6,12H2
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22n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT2B receptor


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50081701
PNG
(3-[2-(dimethylamino)ethyl]-1H-indol-4-ol | 4-hydro...)
Show SMILES CN(C)CCc1c[nH]c2cccc(O)c12
Show InChI InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3
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25n/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
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50131667
PNG
(C-(6-Methoxy-2a,3,4,5-tetrahydro-2H-naphtho[1,8-bc...)
Show SMILES COc1ccc2OC[C@@H]3CC[C@@H](CN)c1c23
Show InChI InChI=1S/C13H17NO2/c1-15-10-4-5-11-13-9(7-16-11)3-2-8(6-14)12(10)13/h4-5,8-9H,2-3,6-7,14H2,1H3/t8-,9-/m0/s1
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34n/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
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50131666
PNG
(C-(6-Methoxy-2a,3,4,5-tetrahydro-2H-naphtho[1,8-bc...)
Show SMILES COc1ccc2OC[C@H]3CC[C@@H](CN)c1c23
Show InChI InChI=1S/C13H17NO2/c1-15-10-4-5-11-13-9(7-16-11)3-2-8(6-14)12(10)13/h4-5,8-9H,2-3,6-7,14H2,1H3/t8-,9+/m0/s1
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59n/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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50257333
PNG
((+)-(S,S)-trans-[2-(2-Bromophenyl)cyclopropyl]meth...)
Show SMILES NC[C@H]1C[C@@H]1c1ccccc1Br |r|
Show InChI InChI=1S/C10H12BrN/c11-10-4-2-1-3-8(10)9-5-7(9)6-12/h1-4,7,9H,5-6,12H2/t7-,9+/m1/s1
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66n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C receptor (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50257394
PNG
(CHEMBL445747 | trans-[2-(3-Methylphenyl)cyclopropy...)
Show SMILES Cc1cccc(c1)[C@H]1C[C@@H]1CN |r|
Show InChI InChI=1S/C11H15N/c1-8-3-2-4-9(5-8)11-6-10(11)7-12/h2-5,10-11H,6-7,12H2,1H3/t10-,11-/m1/s1
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85n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT2B receptor


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50257398
PNG
(CHEMBL493130 | trans-[2-(4-Fluorophenyl)cyclopropy...)
Show SMILES NC[C@H]1C[C@@H]1c1ccc(F)cc1 |r|
Show InChI InChI=1S/C10H12FN/c11-9-3-1-7(2-4-9)10-5-8(10)6-12/h1-4,8,10H,5-6,12H2/t8-,10-/m1/s1
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89n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT2B receptor


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50131665
PNG
(C-(8-Bromo-6-methoxy-4,5-dihydro-3H-naphtho[1,8-bc...)
Show SMILES COc1cc(Br)c2occ3CC[C@@H](CN)c1c23
Show InChI InChI=1S/C13H14BrNO2/c1-16-10-4-9(14)13-12-8(6-17-13)3-2-7(5-15)11(10)12/h4,6-7H,2-3,5,15H2,1H3/t7-/m0/s1
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105n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to bind to 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand


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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50257335
PNG
(CHEMBL492916 | trans-[2-(2-Bromophenyl)cyclopropyl...)
Show SMILES NCC1CC1c1ccccc1Br
Show InChI InChI=1S/C10H12BrN/c11-10-4-2-1-3-8(10)9-5-7(9)6-12/h1-4,7,9H,5-6,12H2
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124n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C receptor (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50161646
PNG
((1R)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-ben...)
Show SMILES C[C@H]1CNCCc2ccc(Cl)cc12 |r|
Show InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1
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189n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT2B receptor


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50131670
PNG
(C-(6-Methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-5...)
Show SMILES COc1ccc2occ3CC[C@@H](CN)c1c23
Show InChI InChI=1S/C13H15NO2/c1-15-10-4-5-11-13-9(7-16-11)3-2-8(6-14)12(10)13/h4-5,7-8H,2-3,6,14H2,1H3/t8-/m0/s1
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200n/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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50256779
PNG
(CHEMBL451232 | trans-[2-(2-Chloro-4-fluorophenyl)c...)
Show SMILES NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl |r|
Show InChI InChI=1S/C10H11ClFN/c11-10-4-7(12)1-2-8(10)9-3-6(9)5-13/h1-2,4,6,9H,3,5,13H2/t6-,9+/m1/s1
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203n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C receptor (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50257398
PNG
(CHEMBL493130 | trans-[2-(4-Fluorophenyl)cyclopropy...)
Show SMILES NC[C@H]1C[C@@H]1c1ccc(F)cc1 |r|
Show InChI InChI=1S/C10H12FN/c11-9-3-1-7(2-4-9)10-5-8(10)6-12/h1-4,8,10H,5-6,12H2/t8-,10-/m1/s1
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242n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C receptor (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50257333
PNG
((+)-(S,S)-trans-[2-(2-Bromophenyl)cyclopropyl]meth...)
Show SMILES NC[C@H]1C[C@@H]1c1ccccc1Br |r|
Show InChI InChI=1S/C10H12BrN/c11-10-4-2-1-3-8(10)9-5-7(9)6-12/h1-4,7,9H,5-6,12H2/t7-,9+/m1/s1
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246n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50256779
PNG
(CHEMBL451232 | trans-[2-(2-Chloro-4-fluorophenyl)c...)
Show SMILES NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl |r|
Show InChI InChI=1S/C10H11ClFN/c11-10-4-7(12)1-2-8(10)9-3-6(9)5-13/h1-2,4,6,9H,3,5,13H2/t6-,9+/m1/s1
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254n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50161646
PNG
((1R)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-ben...)
Show SMILES C[C@H]1CNCCc2ccc(Cl)cc12 |r|
Show InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1
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257n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C receptor (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50257394
PNG
(CHEMBL445747 | trans-[2-(3-Methylphenyl)cyclopropy...)
Show SMILES Cc1cccc(c1)[C@H]1C[C@@H]1CN |r|
Show InChI InChI=1S/C11H15N/c1-8-3-2-4-9(5-8)11-6-10(11)7-12/h2-5,10-11H,6-7,12H2,1H3/t10-,11-/m1/s1
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268n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C receptor (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50131667
PNG
(C-(6-Methoxy-2a,3,4,5-tetrahydro-2H-naphtho[1,8-bc...)
Show SMILES COc1ccc2OC[C@@H]3CC[C@@H](CN)c1c23
Show InChI InChI=1S/C13H17NO2/c1-15-10-4-5-11-13-9(7-16-11)3-2-8(6-14)12(10)13/h4-5,8-9H,2-3,6-7,14H2,1H3/t8-,9-/m0/s1
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310n/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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50131668
PNG
(C-(8-Bromo-6-methoxy-2a,3,4,5-tetrahydro-2H-naphth...)
Show SMILES COc1cc(Br)c2OC[C@H]3CC[C@@H](CN)c1c23
Show InChI InChI=1S/C13H16BrNO2/c1-16-10-4-9(14)13-12-8(6-17-13)3-2-7(5-15)11(10)12/h4,7-8H,2-3,5-6,15H2,1H3/t7-,8+/m0/s1
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520n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to bind to 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand


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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50131669
PNG
(C-(8-Bromo-6-methoxy-2a,3,4,5-tetrahydro-2H-naphth...)
Show SMILES COc1cc(Br)c2OC[C@@H]3CC[C@@H](CN)c1c23
Show InChI InChI=1S/C13H16BrNO2/c1-16-10-4-9(14)13-12-8(6-17-13)3-2-7(5-15)11(10)12/h4,7-8H,2-3,5-6,15H2,1H3/t7-,8-/m0/s1
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550n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to bind to 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand


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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50257335
PNG
(CHEMBL492916 | trans-[2-(2-Bromophenyl)cyclopropyl...)
Show SMILES NCC1CC1c1ccccc1Br
Show InChI InChI=1S/C10H12BrN/c11-10-4-2-1-3-8(10)9-5-7(9)6-12/h1-4,7,9H,5-6,12H2
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655n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50131666
PNG
(C-(6-Methoxy-2a,3,4,5-tetrahydro-2H-naphtho[1,8-bc...)
Show SMILES COc1ccc2OC[C@H]3CC[C@@H](CN)c1c23
Show InChI InChI=1S/C13H17NO2/c1-15-10-4-5-11-13-9(7-16-11)3-2-8(6-14)12(10)13/h4-5,8-9H,2-3,6-7,14H2,1H3/t8-,9+/m0/s1
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700n/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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50131670
PNG
(C-(6-Methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-5...)
Show SMILES COc1ccc2occ3CC[C@@H](CN)c1c23
Show InChI InChI=1S/C13H15NO2/c1-15-10-4-5-11-13-9(7-16-11)3-2-8(6-14)12(10)13/h4-5,7-8H,2-3,6,14H2,1H3/t8-/m0/s1
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860n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to bind to 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand


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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50064706
PNG
((2aS,4R)-8-Bromo-6-methoxy-2a,3,4,5-tetrahydro-2H-...)
Show SMILES COc1cc(Br)c2OC[C@H]3C[C@@H](N)Cc1c23
Show InChI InChI=1S/C12H14BrNO2/c1-15-10-4-9(13)12-11-6(5-16-12)2-7(14)3-8(10)11/h4,6-7H,2-3,5,14H2,1H3/t6-,7-/m1/s1
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960n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to bind to 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand


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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50131667
PNG
(C-(6-Methoxy-2a,3,4,5-tetrahydro-2H-naphtho[1,8-bc...)
Show SMILES COc1ccc2OC[C@@H]3CC[C@@H](CN)c1c23
Show InChI InChI=1S/C13H17NO2/c1-15-10-4-5-11-13-9(7-16-11)3-2-8(6-14)12(10)13/h4-5,8-9H,2-3,6-7,14H2,1H3/t8-,9-/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to bind to 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand


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
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50256779
PNG
(CHEMBL451232 | trans-[2-(2-Chloro-4-fluorophenyl)c...)
Show SMILES NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl |r|
Show InChI InChI=1S/C10H11ClFN/c11-10-4-7(12)1-2-8(10)9-3-6(9)5-13/h1-2,4,6,9H,3,5,13H2/t6-,9+/m1/s1
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1.04E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50257394
PNG
(CHEMBL445747 | trans-[2-(3-Methylphenyl)cyclopropy...)
Show SMILES Cc1cccc(c1)[C@H]1C[C@@H]1CN |r|
Show InChI InChI=1S/C11H15N/c1-8-3-2-4-9(5-8)11-6-10(11)7-12/h2-5,10-11H,6-7,12H2,1H3/t10-,11-/m1/s1
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1.85E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50257333
PNG
((+)-(S,S)-trans-[2-(2-Bromophenyl)cyclopropyl]meth...)
Show SMILES NC[C@H]1C[C@@H]1c1ccccc1Br |r|
Show InChI InChI=1S/C10H12BrN/c11-10-4-2-1-3-8(10)9-5-7(9)6-12/h1-4,7,9H,5-6,12H2/t7-,9+/m1/s1
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2.12E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35428 from DAT (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50161646
PNG
((1R)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-ben...)
Show SMILES C[C@H]1CNCCc2ccc(Cl)cc12 |r|
Show InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1
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2.61E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50257398
PNG
(CHEMBL493130 | trans-[2-(4-Fluorophenyl)cyclopropy...)
Show SMILES NC[C@H]1C[C@@H]1c1ccc(F)cc1 |r|
Show InChI InChI=1S/C10H12FN/c11-9-3-1-7(2-4-9)10-5-8(10)6-12/h1-4,8,10H,5-6,12H2/t8-,10-/m1/s1
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2.71E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50257335
PNG
(CHEMBL492916 | trans-[2-(2-Bromophenyl)cyclopropyl...)
Show SMILES NCC1CC1c1ccccc1Br
Show InChI InChI=1S/C10H12BrN/c11-10-4-2-1-3-8(10)9-5-7(9)6-12/h1-4,7,9H,5-6,12H2
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2.72E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50257335
PNG
(CHEMBL492916 | trans-[2-(2-Bromophenyl)cyclopropyl...)
Show SMILES NCC1CC1c1ccccc1Br
Show InChI InChI=1S/C10H12BrN/c11-10-4-2-1-3-8(10)9-5-7(9)6-12/h1-4,7,9H,5-6,12H2
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2.73E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50257398
PNG
(CHEMBL493130 | trans-[2-(4-Fluorophenyl)cyclopropy...)
Show SMILES NC[C@H]1C[C@@H]1c1ccc(F)cc1 |r|
Show InChI InChI=1S/C10H12FN/c11-9-3-1-7(2-4-9)10-5-8(10)6-12/h1-4,8,10H,5-6,12H2/t8-,10-/m1/s1
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2.78E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50161646
PNG
((1R)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-ben...)
Show SMILES C[C@H]1CNCCc2ccc(Cl)cc12 |r|
Show InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1
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2.78E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
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