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Compile Data Set for Download or QSAR

Found 346 hits with Last Name = 'marona-lewicka' and Initial = 'd'   
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


(Homo sapiens (Human))
BDBM50068612
PNG
(2-(8-Bromo-benzo[1,2-b;4,5-b']difuran-4-yl)-1-meth...)
Show SMILES CC(N)Cc1c2ccoc2c(Br)c2ccoc12
Show InChI InChI=1S/C13H12BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h2-5,7H,6,15H2,1H3
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PubMed
0.0200n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding activity against cloned human 5-hydroxytryptamine 2C receptor using [125I]-DOI as the radioligand.


J Med Chem 41: 5148-9 (1999)


Article DOI: 10.1021/jm9803525
BindingDB Entry DOI: 10.7270/Q2862FKX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50068612
PNG
(2-(8-Bromo-benzo[1,2-b;4,5-b']difuran-4-yl)-1-meth...)
Show SMILES CC(N)Cc1c2ccoc2c(Br)c2ccoc12
Show InChI InChI=1S/C13H12BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h2-5,7H,6,15H2,1H3
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0.0400n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding activity against cloned human 5-hydroxytryptamine 2A receptor using [125I]-DOI as the radioligand.


J Med Chem 41: 5148-9 (1999)


Article DOI: 10.1021/jm9803525
BindingDB Entry DOI: 10.7270/Q2862FKX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50094670
PNG
(1-(4-Dipropylamino-1,3,4,5-tetrahydro-benzo[cd]ind...)
Show SMILES CCCN(CCC)C1Cc2c[nH]c3ccc(C(C)=O)c(C1)c23
Show InChI InChI=1S/C19H26N2O/c1-4-8-21(9-5-2)15-10-14-12-20-18-7-6-16(13(3)22)17(11-15)19(14)18/h6-7,12,15,20H,4-5,8-11H2,1-3H3
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0.0880n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition constant of 50 microM forskolin-stimulated cAMP accumulation against 5-hydroxytryptamine 1A receptor


J Med Chem 43: 4701-10 (2001)


BindingDB Entry DOI: 10.7270/Q2HT2NM7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50097891
PNG
(4-Fluoro-5-methoxy-3-(2-pyrrolidin-1-yl-ethyl)-1H-...)
Show SMILES COc1ccc2[nH]cc(CCN3CCCC3)c2c1F
Show InChI InChI=1S/C15H19FN2O/c1-19-13-5-4-12-14(15(13)16)11(10-17-12)6-9-18-7-2-3-8-18/h4-5,10,17H,2-3,6-9H2,1H3
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0.120n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinitty towards human 5-hydroxytryptamine 1A receptor was determined using [3H]-8-OH-DPAT-as radioligand


Bioorg Med Chem Lett 11: 793-5 (2001)


BindingDB Entry DOI: 10.7270/Q2ZC824R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50068612
PNG
(2-(8-Bromo-benzo[1,2-b;4,5-b']difuran-4-yl)-1-meth...)
Show SMILES CC(N)Cc1c2ccoc2c(Br)c2ccoc12
Show InChI InChI=1S/C13H12BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h2-5,7H,6,15H2,1H3
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0.190n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding activity against cloned human 5-hydroxytryptamine 2B receptor using [3H]-5-HT as the radioligand.


J Med Chem 41: 5148-9 (1999)


Article DOI: 10.1021/jm9803525
BindingDB Entry DOI: 10.7270/Q2862FKX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50068612
PNG
(2-(8-Bromo-benzo[1,2-b;4,5-b']difuran-4-yl)-1-meth...)
Show SMILES CC(N)Cc1c2ccoc2c(Br)c2ccoc12
Show InChI InChI=1S/C13H12BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h2-5,7H,6,15H2,1H3
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0.230n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Antagonistic activity measured for 5-hydroxytryptamine 2A receptor using [3H]-MDL- 100,907 as radioligand in rat cortical homogenates.


J Med Chem 41: 5148-9 (1999)


Article DOI: 10.1021/jm9803525
BindingDB Entry DOI: 10.7270/Q2862FKX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50094674
PNG
(CHEMBL142862 | [2-(4-Fluoro-5-methoxy-1H-indol-3-y...)
Show SMILES COc1ccc2[nH]cc(CCN(C)C)c2c1F
Show InChI InChI=1S/C13H17FN2O/c1-16(2)7-6-9-8-15-10-4-5-11(17-3)13(14)12(9)10/h4-5,8,15H,6-7H2,1-3H3
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0.230n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinitty towards human 5-hydroxytryptamine 1A receptor was determined using [3H]-8-OH-DPAT-as radioligand


Bioorg Med Chem Lett 11: 793-5 (2001)


BindingDB Entry DOI: 10.7270/Q2ZC824R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50194747
PNG
(((R)-4-bromo-3,6-dimethoxybenzocyclobuten-1-yl)met...)
Show SMILES COc1cc(Br)c(OC)c2C[C@@H](CN)c12
Show InChI InChI=1S/C11H14BrNO2/c1-14-9-4-8(12)11(15-2)7-3-6(5-13)10(7)9/h4,6H,3,5,13H2,1-2H3/t6-/m0/s1
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0.260n/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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50052337
PNG
(2-(8-bromo-2,3,6,7-tetrahydro-benzo[1,2-b;4,5-b']d...)
Show SMILES CC(N)Cc1c2CCOc2c(Br)c2CCOc12
Show InChI InChI=1S/C13H16BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h7H,2-6,15H2,1H3
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0.300n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Agonistic activity at cloned human 5-hydroxytryptamine 2C receptor using [125I]-DOI 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))
BDBM50064703
PNG
((R)-2-(8-Bromo-2,3,6,7-tetrahydro-benzo[1,2-b;4,5-...)
Show SMILES C[C@@H](N)Cc1c2CCOc2c(Br)c2CCOc12
Show InChI InChI=1S/C13H16BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h7H,2-6,15H2,1H3/t7-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding ability of compound at cloned human 5-hydroxytryptamine 2C receptor using [125 I]DOI as radioligand


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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50052337
PNG
(2-(8-bromo-2,3,6,7-tetrahydro-benzo[1,2-b;4,5-b']d...)
Show SMILES CC(N)Cc1c2CCOc2c(Br)c2CCOc12
Show InChI InChI=1S/C13H16BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h7H,2-6,15H2,1H3
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0.300n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding activity against cloned human 5-hydroxytryptamine 2C receptor using [125I]-DOI as the radioligand.


J Med Chem 41: 5148-9 (1999)


Article DOI: 10.1021/jm9803525
BindingDB Entry DOI: 10.7270/Q2862FKX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50033872
PNG
((6aR,9R)-7-Methyl-4,6,6a,7,8,9-hexahydro-indolo[4,...)
Show SMILES CCCC[C@@H](C)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34 |c:24|
Show InChI InChI=1S/C22H29N3O/c1-4-5-7-14(2)24-22(26)16-10-18-17-8-6-9-19-21(17)15(12-23-19)11-20(18)25(3)13-16/h6,8-10,12,14,16,20,23H,4-5,7,11,13H2,1-3H3,(H,24,26)/t14-,16-,20-/m1/s1
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0.320n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinity was measured against 5-hydroxytryptamine 1A receptor by displacement of [3H]-8-OH-DPAT by lysergic acid amides


J Med Chem 38: 958-66 (1995)


BindingDB Entry DOI: 10.7270/Q2NZ86N6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50194747
PNG
(((R)-4-bromo-3,6-dimethoxybenzocyclobuten-1-yl)met...)
Show SMILES COc1cc(Br)c(OC)c2C[C@@H](CN)c12
Show InChI InChI=1S/C11H14BrNO2/c1-14-9-4-8(12)11(15-2)7-3-6(5-13)10(7)9/h4,6H,3,5,13H2,1-2H3/t6-/m0/s1
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0.350n/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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50118579
PNG
((2,4-Dimethyl-azetidin-1-yl)-(7-methyl-4,6,6a,7,8,...)
Show SMILES C[C@H]1C[C@H](C)N1C(=O)[C@H]1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:24|
Show InChI InChI=1S/C21H25N3O/c1-12-7-13(2)24(12)21(25)15-8-17-16-5-4-6-18-20(16)14(10-22-18)9-19(17)23(3)11-15/h4-6,8,10,12-13,15,19,22H,7,9,11H2,1-3H3/t12-,13-,15+,19?/m0/s1
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0.450n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


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


J Med Chem 45: 4344-9 (2002)


BindingDB Entry DOI: 10.7270/Q2765G2F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM28582
PNG
(1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine | CHE...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1I
Show InChI InChI=1S/C11H16INO2/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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0.460n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding activity against cloned human 5-hydroxytryptamine 2A receptor using [125I]-DOI as the radioligand.


J Med Chem 41: 5148-9 (1999)


Article DOI: 10.1021/jm9803525
BindingDB Entry DOI: 10.7270/Q2862FKX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50052337
PNG
(2-(8-bromo-2,3,6,7-tetrahydro-benzo[1,2-b;4,5-b']d...)
Show SMILES CC(N)Cc1c2CCOc2c(Br)c2CCOc12
Show InChI InChI=1S/C13H16BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h7H,2-6,15H2,1H3
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0.480n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Agonistic activity at cloned human 5-hydroxytryptamine 2A receptor using [125I]-DOI 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 2A


(Homo sapiens (Human))
BDBM50064703
PNG
((R)-2-(8-Bromo-2,3,6,7-tetrahydro-benzo[1,2-b;4,5-...)
Show SMILES C[C@@H](N)Cc1c2CCOc2c(Br)c2CCOc12
Show InChI InChI=1S/C13H16BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h7H,2-6,15H2,1H3/t7-/m1/s1
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0.480n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding ability of compound at cloned human 5-hydroxytryptamine 2A receptor using [125 I]DOI as radioligand


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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50052337
PNG
(2-(8-bromo-2,3,6,7-tetrahydro-benzo[1,2-b;4,5-b']d...)
Show SMILES CC(N)Cc1c2CCOc2c(Br)c2CCOc12
Show InChI InChI=1S/C13H16BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h7H,2-6,15H2,1H3
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0.480n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding activity against cloned human 5-hydroxytryptamine 2A receptor using [125I]-DOI as the radioligand.


J Med Chem 41: 5148-9 (1999)


Article DOI: 10.1021/jm9803525
BindingDB Entry DOI: 10.7270/Q2862FKX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50033869
PNG
((6aR,9R)-7-Methyl-4,6,6a,7,8,9-hexahydro-indolo[4,...)
Show SMILES CCC[C@@H](C)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34 |c:23|
Show InChI InChI=1S/C21H27N3O/c1-4-6-13(2)23-21(25)15-9-17-16-7-5-8-18-20(16)14(11-22-18)10-19(17)24(3)12-15/h5,7-9,11,13,15,19,22H,4,6,10,12H2,1-3H3,(H,23,25)/t13-,15-,19-/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinity was measured against 5-hydroxytryptamine 1A receptor by displacement of [3H]-8-OH-DPAT by lysergic acid amides


J Med Chem 38: 958-66 (1995)


BindingDB Entry DOI: 10.7270/Q2NZ86N6
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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50194752
PNG
((+/-)-(4-bromo-3,6-dimethoxybenzocyclobuten-1-yl)m...)
Show SMILES COc1cc(Br)c(OC)c2CC(CN)c12
Show InChI InChI=1S/C11H14BrNO2/c1-14-9-4-8(12)11(15-2)7-3-6(5-13)10(7)9/h4,6H,3,5,13H2,1-2H3
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0.730n/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
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50194752
PNG
((+/-)-(4-bromo-3,6-dimethoxybenzocyclobuten-1-yl)m...)
Show SMILES COc1cc(Br)c(OC)c2CC(CN)c12
Show InChI InChI=1S/C11H14BrNO2/c1-14-9-4-8(12)11(15-2)7-3-6(5-13)10(7)9/h4,6H,3,5,13H2,1-2H3
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0.75n/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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50052339
PNG
(2-(8-Bromo-2,3,6,7-tetrahydro-benzo[1,2-b;4,5-b']d...)
Show SMILES NCCc1c2CCOc2c(Br)c2CCOc12
Show InChI InChI=1S/C12H14BrNO2/c13-10-9-3-6-15-11(9)7(1-4-14)8-2-5-16-12(8)10/h1-6,14H2
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0.800n/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 1A


(Homo sapiens (Human))
BDBM21393
PNG
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
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0.830n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinitty towards human 5-hydroxytryptamine 1A receptor was determined using [3H]-8-OH-DPAT-as radioligand


Bioorg Med Chem Lett 11: 793-5 (2001)


BindingDB Entry DOI: 10.7270/Q2ZC824R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(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
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50052337
PNG
(2-(8-bromo-2,3,6,7-tetrahydro-benzo[1,2-b;4,5-b']d...)
Show SMILES CC(N)Cc1c2CCOc2c(Br)c2CCOc12
Show InChI InChI=1S/C13H16BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h7H,2-6,15H2,1H3
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1n/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
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50271489
PNG
(1-(4-Bromo-7,8-dihydro-6H-furo[2,3-g]chromen-9-yl)...)
Show SMILES CC(N)Cc1c2CCCOc2c(Br)c2ccoc12
Show InChI InChI=1S/C14H16BrNO2/c1-8(16)7-11-9-3-2-5-17-14(9)12(15)10-4-6-18-13(10)11/h4,6,8H,2-3,5,7,16H2,1H3
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1n/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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50118576
PNG
((2,4-Dimethyl-azetidin-1-yl)-(7-methyl-4,6,6a,7,8,...)
Show SMILES C[C@H]1C[C@@H](C)N1C(=O)[C@H]1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:24|
Show InChI InChI=1S/C21H25N3O/c1-12-7-13(2)24(12)21(25)15-8-17-16-5-4-6-18-20(16)14(10-22-18)9-19(17)23(3)11-15/h4-6,8,10,12-13,15,19,22H,7,9,11H2,1-3H3/t12-,13+,15-,19?/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand


J Med Chem 45: 4344-9 (2002)


BindingDB Entry DOI: 10.7270/Q2765G2F
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
Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand


J Med Chem 45: 4344-9 (2002)


BindingDB Entry DOI: 10.7270/Q2765G2F
More data for this
Ligand-Target Pair
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 2B


(Homo sapiens (Human))
BDBM50052337
PNG
(2-(8-bromo-2,3,6,7-tetrahydro-benzo[1,2-b;4,5-b']d...)
Show SMILES CC(N)Cc1c2CCOc2c(Br)c2CCOc12
Show InChI InChI=1S/C13H16BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h7H,2-6,15H2,1H3
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1.15n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Antagonistic activity at cloned human 5-hydroxytryptamine 2B receptor using [3H]-rauwolscine 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 2B


(Homo sapiens (Human))
BDBM50064703
PNG
((R)-2-(8-Bromo-2,3,6,7-tetrahydro-benzo[1,2-b;4,5-...)
Show SMILES C[C@@H](N)Cc1c2CCOc2c(Br)c2CCOc12
Show InChI InChI=1S/C13H16BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h7H,2-6,15H2,1H3/t7-/m1/s1
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1.15n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding ability of compound at cloned human 5-hydroxytryptamine 2B receptor using [3H]-rauwolscine as radioligand


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
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50052337
PNG
(2-(8-bromo-2,3,6,7-tetrahydro-benzo[1,2-b;4,5-b']d...)
Show SMILES CC(N)Cc1c2CCOc2c(Br)c2CCOc12
Show InChI InChI=1S/C13H16BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h7H,2-6,15H2,1H3
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1.60n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding activity against cloned human 5-hydroxytryptamine 2B receptor using [3H]-5-HT as the radioligand.


J Med Chem 41: 5148-9 (1999)


Article DOI: 10.1021/jm9803525
BindingDB Entry DOI: 10.7270/Q2862FKX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50052337
PNG
(2-(8-bromo-2,3,6,7-tetrahydro-benzo[1,2-b;4,5-b']d...)
Show SMILES CC(N)Cc1c2CCOc2c(Br)c2CCOc12
Show InChI InChI=1S/C13H16BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h7H,2-6,15H2,1H3
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1.60n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Agonistic activity at cloned human 5-hydroxytryptamine 2B receptor using [3H]-5-HT 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 2B


(Homo sapiens (Human))
BDBM50064703
PNG
((R)-2-(8-Bromo-2,3,6,7-tetrahydro-benzo[1,2-b;4,5-...)
Show SMILES C[C@@H](N)Cc1c2CCOc2c(Br)c2CCOc12
Show InChI InChI=1S/C13H16BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h7H,2-6,15H2,1H3/t7-/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding ability of compound at cloned human 5-hydroxytryptamine 2B receptor using [3H]-5-HT 2B as radioligand


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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50094673
PNG
(CHEMBL342986 | Diethyl-[2-(5-methoxy-1H-indol-3-yl...)
Show SMILES CCN(CC)CCc1c[nH]c2ccc(OC)cc12
Show InChI InChI=1S/C15H22N2O/c1-4-17(5-2)9-8-12-11-16-15-7-6-13(18-3)10-14(12)15/h6-7,10-11,16H,4-5,8-9H2,1-3H3
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1.70n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Evaluated for the binding constant at [3H]-8-OH-DPAT-labeled human 5-hydroxytryptamine 1A receptor


J Med Chem 43: 4701-10 (2001)


BindingDB Entry DOI: 10.7270/Q2HT2NM7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM28582
PNG
(1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine | CHE...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1I
Show InChI InChI=1S/C11H16INO2/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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1.82n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding activity against cloned human 5-hydroxytryptamine 2C receptor using [125I]-DOI as the radioligand.


J Med Chem 41: 5148-9 (1999)


Article DOI: 10.1021/jm9803525
BindingDB Entry DOI: 10.7270/Q2862FKX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50118577
PNG
((2,4-Dimethyl-azetidin-1-yl)-(7-methyl-4,6,6a,7,8,...)
Show SMILES C[C@@H]1C[C@@H](C)N1C(=O)[C@H]1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:24|
Show InChI InChI=1S/C21H25N3O/c1-12-7-13(2)24(12)21(25)15-8-17-16-5-4-6-18-20(16)14(10-22-18)9-19(17)23(3)11-15/h4-6,8,10,12-13,15,19,22H,7,9,11H2,1-3H3/t12-,13-,15-,19?/m1/s1
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2n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinities against 5-hydroxytryptamine 1D receptor alpha


J Med Chem 45: 4344-9 (2002)


BindingDB Entry DOI: 10.7270/Q2765G2F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50008224
PNG
((6aR,9R)-7-Methyl-4,6,6a,7,8,9-hexahydro-indolo[4,...)
Show SMILES CC[C@@H](C)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34 |c:22|
Show InChI InChI=1S/C20H25N3O/c1-4-12(2)22-20(24)14-8-16-15-6-5-7-17-19(15)13(10-21-17)9-18(16)23(3)11-14/h5-8,10,12,14,18,21H,4,9,11H2,1-3H3,(H,22,24)/t12-,14-,18-/m1/s1
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2n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinity was measured against 5-hydroxytryptamine 1A receptor by displacement of [3H]-8-OH-DPAT by lysergic acid amides


J Med Chem 38: 958-66 (1995)


BindingDB Entry DOI: 10.7270/Q2NZ86N6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50033874
PNG
((6aR,9R)-7-Methyl-4,6,6a,7,8,9-hexahydro-indolo[4,...)
Show SMILES CCC(CC)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34 |c:23|
Show InChI InChI=1S/C21H27N3O/c1-4-15(5-2)23-21(25)14-9-17-16-7-6-8-18-20(16)13(11-22-18)10-19(17)24(3)12-14/h6-9,11,14-15,19,22H,4-5,10,12H2,1-3H3,(H,23,25)/t14-,19-/m1/s1
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2.10n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinity was measured against 5-hydroxytryptamine 1A receptor by displacement of [3H]-8-OH-DPAT by lysergic acid amides


J Med Chem 38: 958-66 (1995)


BindingDB Entry DOI: 10.7270/Q2NZ86N6
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 2C


(Homo sapiens (Human))
BDBM50052337
PNG
(2-(8-bromo-2,3,6,7-tetrahydro-benzo[1,2-b;4,5-b']d...)
Show SMILES CC(N)Cc1c2CCOc2c(Br)c2CCOc12
Show InChI InChI=1S/C13H16BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h7H,2-6,15H2,1H3
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2.28n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Antagonistic activity at cloned human 5-hydroxytryptamine 2C receptor using [3H]-mesulergine 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))
BDBM50064703
PNG
((R)-2-(8-Bromo-2,3,6,7-tetrahydro-benzo[1,2-b;4,5-...)
Show SMILES C[C@@H](N)Cc1c2CCOc2c(Br)c2CCOc12
Show InChI InChI=1S/C13H16BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h7H,2-6,15H2,1H3/t7-/m1/s1
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2.28n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding ability of compound at cloned human 5-hydroxytryptamine 2C receptor using [3H]- mesulergine as radioligand


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
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50118579
PNG
((2,4-Dimethyl-azetidin-1-yl)-(7-methyl-4,6,6a,7,8,...)
Show SMILES C[C@H]1C[C@H](C)N1C(=O)[C@H]1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:24|
Show InChI InChI=1S/C21H25N3O/c1-12-7-13(2)24(12)21(25)15-8-17-16-5-4-6-18-20(16)14(10-22-18)9-19(17)23(3)11-15/h4-6,8,10,12-13,15,19,22H,7,9,11H2,1-3H3/t12-,13-,15+,19?/m0/s1
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2.40n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinities towards 5-hydroxytryptamine 1D receptor alpha


J Med Chem 45: 4344-9 (2002)


BindingDB Entry DOI: 10.7270/Q2765G2F
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))
BDBM50271484
PNG
(2-(10-Bromo-2,3,4,7,8,9-hexahydro-pyrano[2,3-g]chr...)
Show SMILES CC(N)Cc1c2CCCOc2c(Br)c2CCCOc12
Show InChI InChI=1S/C15H20BrNO2/c1-9(17)8-12-10-4-2-7-19-15(10)13(16)11-5-3-6-18-14(11)12/h9H,2-8,17H2,1H3
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3.10n/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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50033873
PNG
((6aR,9R)-7-Methyl-4,6,6a,7,8,9-hexahydro-indolo[4,...)
Show SMILES CCCCC[C@@H](C)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34 |c:25|
Show InChI InChI=1S/C23H31N3O/c1-4-5-6-8-15(2)25-23(27)17-11-19-18-9-7-10-20-22(18)16(13-24-20)12-21(19)26(3)14-17/h7,9-11,13,15,17,21,24H,4-6,8,12,14H2,1-3H3,(H,25,27)/t15-,17-,21-/m1/s1
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3.30n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinity was measured against 5-hydroxytryptamine 1A receptor by displacement of [3H]-8-OH-DPAT by lysergic acid amides


J Med Chem 38: 958-66 (1995)


BindingDB Entry DOI: 10.7270/Q2NZ86N6
More data for this
Ligand-Target Pair
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