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PubMed code 15109661

Compile data set for download or QSAR
Found 21 hits of Enzyme Inhibition Constant Data   
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))
BDBM50145565
PNG
(1,2,3,4,8,9,10,11,12,13-decahydrocycloocta[b][1,4]...)
Show SMILES C1Cn2c3CCCCCCc3c3cccc(CN1)c23
Show InChI InChI=1S/C17H22N2/c1-2-4-9-16-14(7-3-1)15-8-5-6-13-12-18-10-11-19(16)17(13)15/h5-6,8,18H,1-4,7,9-12H2
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PubMed
13n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonistic binding affinity against human 5-hydroxytryptamine 2C receptor in CHO cells using [125I]- DOI


Bioorg Med Chem Lett 14: 2603-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.100
BindingDB Entry DOI: 10.7270/Q2QZ29F3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50145565
PNG
(1,2,3,4,8,9,10,11,12,13-decahydrocycloocta[b][1,4]...)
Show SMILES C1Cn2c3CCCCCCc3c3cccc(CN1)c23
Show InChI InChI=1S/C17H22N2/c1-2-4-9-16-14(7-3-1)15-8-5-6-13-12-18-10-11-19(16)17(13)15/h5-6,8,18H,1-4,7,9-12H2
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PubMed
36n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonistic binding affinity of the compound against human 5-hydroxytryptamine 2A receptor in CHO cells using 8-OH-DPA radioligand


Bioorg Med Chem Lett 14: 2603-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.100
BindingDB Entry DOI: 10.7270/Q2QZ29F3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50145564
PNG
(4,5,6,7,9,10,11,12-Octahydro-8H-5,7a-diaza-benzo[c...)
Show SMILES C1CCc2c(CC1)c1cccc3CNCCn2c13
Show InChI InChI=1S/C16H20N2/c1-2-6-13-14-7-4-5-12-11-17-9-10-18(16(12)14)15(13)8-3-1/h4-5,7,17H,1-3,6,8-11H2
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38n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonistic binding affinity against human 5-hydroxytryptamine 2C receptor in CHO cells using [125I]- DOI


Bioorg Med Chem Lett 14: 2603-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.100
BindingDB Entry DOI: 10.7270/Q2QZ29F3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50145562
PNG
(8,8,10,10-Tetramethyl-1,2,3,4,8,9,10,11-octahydro-...)
Show SMILES CC1(C)Cc2c(c3cccc4CNCCn2c34)C(C)(C)C1
Show InChI InChI=1S/C19H26N2/c1-18(2)10-15-16(19(3,4)12-18)14-7-5-6-13-11-20-8-9-21(15)17(13)14/h5-7,20H,8-12H2,1-4H3
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79n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonistic binding affinity against human 5-hydroxytryptamine 2C receptor in CHO cells using [125I]- DOI


Bioorg Med Chem Lett 14: 2603-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.100
BindingDB Entry DOI: 10.7270/Q2QZ29F3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50145568
PNG
(4,5,6,7,9,10-Hexahydro-8H-5,7a-diaza-benzo[cd]cycl...)
Show SMILES C1Cc2c(C1)c1cccc3CNCCn2c13
Show InChI InChI=1S/C14H16N2/c1-3-10-9-15-7-8-16-13-6-2-4-11(13)12(5-1)14(10)16/h1,3,5,15H,2,4,6-9H2
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97n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonistic binding affinity against human 5-hydroxytryptamine 2C receptor in CHO cells using [125I]- DOI


Bioorg Med Chem Lett 14: 2603-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.100
BindingDB Entry DOI: 10.7270/Q2QZ29F3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50145569
PNG
(7-Fluoro-1,2,3,4,8,9,10,11-octahydro-[1,4]diazepin...)
Show SMILES Fc1ccc2CNCCn3c4CCCCc4c1c23
Show InChI InChI=1S/C15H17FN2/c16-12-6-5-10-9-17-7-8-18-13-4-2-1-3-11(13)14(12)15(10)18/h5-6,17H,1-4,7-9H2
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111n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonistic binding affinity against human 5-hydroxytryptamine 2C receptor in CHO cells using [125I]- DOI


Bioorg Med Chem Lett 14: 2603-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.100
BindingDB Entry DOI: 10.7270/Q2QZ29F3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50145562
PNG
(8,8,10,10-Tetramethyl-1,2,3,4,8,9,10,11-octahydro-...)
Show SMILES CC1(C)Cc2c(c3cccc4CNCCn2c34)C(C)(C)C1
Show InChI InChI=1S/C19H26N2/c1-18(2)10-15-16(19(3,4)12-18)14-7-5-6-13-11-20-8-9-21(15)17(13)14/h5-7,20H,8-12H2,1-4H3
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152n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonistic binding affinity of the compound against human 5-hydroxytryptamine 2A receptor in CHO cells using 8-OH-DPA radioligand


Bioorg Med Chem Lett 14: 2603-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.100
BindingDB Entry DOI: 10.7270/Q2QZ29F3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50145559
PNG
((R)-2-Methyl-1,2,3,4,8,9,10,11-octahydro-[1,4]diaz...)
Show SMILES C[C@@H]1Cn2c3CCCCc3c3cccc(CN1)c23
Show InChI InChI=1S/C16H20N2/c1-11-10-18-15-8-3-2-6-13(15)14-7-4-5-12(9-17-11)16(14)18/h4-5,7,11,17H,2-3,6,8-10H2,1H3/t11-/m1/s1
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189n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonistic binding affinity against human 5-hydroxytryptamine 2C receptor in CHO cells using [125I]- DOI


Bioorg Med Chem Lett 14: 2603-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.100
BindingDB Entry DOI: 10.7270/Q2QZ29F3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50145564
PNG
(4,5,6,7,9,10,11,12-Octahydro-8H-5,7a-diaza-benzo[c...)
Show SMILES C1CCc2c(CC1)c1cccc3CNCCn2c13
Show InChI InChI=1S/C16H20N2/c1-2-6-13-14-7-4-5-12-11-17-9-10-18(16(12)14)15(13)8-3-1/h4-5,7,17H,1-3,6,8-11H2
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199n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonistic binding affinity of the compound against human 5-hydroxytryptamine 2A receptor in CHO cells using 8-OH-DPA radioligand


Bioorg Med Chem Lett 14: 2603-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.100
BindingDB Entry DOI: 10.7270/Q2QZ29F3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50145563
PNG
(9,9-Dimethyl-1,2,3,4,8,9,10,11-octahydro-[1,4]diaz...)
Show SMILES CC1(C)CCc2c(C1)c1cccc3CNCCn2c13
Show InChI InChI=1S/C17H22N2/c1-17(2)7-6-15-14(10-17)13-5-3-4-12-11-18-8-9-19(15)16(12)13/h3-5,18H,6-11H2,1-2H3
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243n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonistic binding affinity against human 5-hydroxytryptamine 2C receptor in CHO cells using [125I]- DOI


Bioorg Med Chem Lett 14: 2603-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.100
BindingDB Entry DOI: 10.7270/Q2QZ29F3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50145561
PNG
(6-Chloro-1,2,3,4,8,9,10,11-octahydro-[1,4]diazepin...)
Show SMILES Clc1cc2CNCCn3c4CCCCc4c(c1)c23
Show InChI InChI=1S/C15H17ClN2/c16-11-7-10-9-17-5-6-18-14-4-2-1-3-12(14)13(8-11)15(10)18/h7-8,17H,1-6,9H2
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358n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonistic binding affinity against human 5-hydroxytryptamine 2C receptor in CHO cells using [125I]- DOI


Bioorg Med Chem Lett 14: 2603-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.100
BindingDB Entry DOI: 10.7270/Q2QZ29F3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50145560
PNG
((S)-2-Methyl-1,2,3,4,8,9,10,11-octahydro-[1,4]diaz...)
Show SMILES C[C@H]1Cn2c3CCCCc3c3cccc(CN1)c23
Show InChI InChI=1S/C16H20N2/c1-11-10-18-15-8-3-2-6-13(15)14-7-4-5-12(9-17-11)16(14)18/h4-5,7,11,17H,2-3,6,8-10H2,1H3/t11-/m0/s1
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452n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonistic binding affinity against human 5-hydroxytryptamine 2C receptor in CHO cells using [125I]- DOI


Bioorg Med Chem Lett 14: 2603-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.100
BindingDB Entry DOI: 10.7270/Q2QZ29F3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50145566
PNG
(6-Methyl-1,2,3,4,8,9,10,11-octahydro-[1,4]diazepin...)
Show SMILES Cc1cc2CNCCn3c4CCCCc4c(c1)c23
Show InChI InChI=1S/C16H20N2/c1-11-8-12-10-17-6-7-18-15-5-3-2-4-13(15)14(9-11)16(12)18/h8-9,17H,2-7,10H2,1H3
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599n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonistic binding affinity against human 5-hydroxytryptamine 2C receptor in CHO cells using [125I]- DOI


Bioorg Med Chem Lett 14: 2603-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.100
BindingDB Entry DOI: 10.7270/Q2QZ29F3
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50145565
PNG
(1,2,3,4,8,9,10,11,12,13-decahydrocycloocta[b][1,4]...)
Show SMILES C1Cn2c3CCCCCCc3c3cccc(CN1)c23
Show InChI InChI=1S/C17H22N2/c1-2-4-9-16-14(7-3-1)15-8-5-6-13-12-18-10-11-19(16)17(13)15/h5-6,8,18H,1-4,7,9-12H2
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665n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity of the compound against dopamine receptor D1A


Bioorg Med Chem Lett 14: 2603-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.100
BindingDB Entry DOI: 10.7270/Q2QZ29F3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50145568
PNG
(4,5,6,7,9,10-Hexahydro-8H-5,7a-diaza-benzo[cd]cycl...)
Show SMILES C1Cc2c(C1)c1cccc3CNCCn2c13
Show InChI InChI=1S/C14H16N2/c1-3-10-9-15-7-8-16-13-6-2-4-11(13)12(5-1)14(10)16/h1,3,5,15H,2,4,6-9H2
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922n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonistic binding affinity of the compound against human 5-hydroxytryptamine 2A receptor in CHO cells using 8-OH-DPA radioligand


Bioorg Med Chem Lett 14: 2603-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.100
BindingDB Entry DOI: 10.7270/Q2QZ29F3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50145567
PNG
(2-Methyl-4,5,6,7,9,10-hexahydro-8H-5,7a-diaza-benz...)
Show SMILES Cc1cc2CNCCn3c4CCCc4c(c1)c23
Show InChI InChI=1S/C15H18N2/c1-10-7-11-9-16-5-6-17-14-4-2-3-12(14)13(8-10)15(11)17/h7-8,16H,2-6,9H2,1H3
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985n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonistic binding affinity against human 5-hydroxytryptamine 2C receptor in CHO cells using [125I]- DOI


Bioorg Med Chem Lett 14: 2603-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.100
BindingDB Entry DOI: 10.7270/Q2QZ29F3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50145566
PNG
(6-Methyl-1,2,3,4,8,9,10,11-octahydro-[1,4]diazepin...)
Show SMILES Cc1cc2CNCCn3c4CCCCc4c(c1)c23
Show InChI InChI=1S/C16H20N2/c1-11-8-12-10-17-6-7-18-15-5-3-2-4-13(15)14(9-11)16(12)18/h8-9,17H,2-7,10H2,1H3
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1.23E+3n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonistic binding affinity of the compound against human 5-hydroxytryptamine 2A receptor in CHO cells using 8-OH-DPA radioligand


Bioorg Med Chem Lett 14: 2603-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.100
BindingDB Entry DOI: 10.7270/Q2QZ29F3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50145559
PNG
((R)-2-Methyl-1,2,3,4,8,9,10,11-octahydro-[1,4]diaz...)
Show SMILES C[C@@H]1Cn2c3CCCCc3c3cccc(CN1)c23
Show InChI InChI=1S/C16H20N2/c1-11-10-18-15-8-3-2-6-13(15)14-7-4-5-12(9-17-11)16(14)18/h4-5,7,11,17H,2-3,6,8-10H2,1H3/t11-/m1/s1
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1.56E+3n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonistic binding affinity of the compound against human 5-hydroxytryptamine 2A receptor in CHO cells using 8-OH-DPA radioligand


Bioorg Med Chem Lett 14: 2603-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.100
BindingDB Entry DOI: 10.7270/Q2QZ29F3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50145567
PNG
(2-Methyl-4,5,6,7,9,10-hexahydro-8H-5,7a-diaza-benz...)
Show SMILES Cc1cc2CNCCn3c4CCCc4c(c1)c23
Show InChI InChI=1S/C15H18N2/c1-10-7-11-9-16-5-6-17-14-4-2-3-12(14)13(8-10)15(11)17/h7-8,16H,2-6,9H2,1H3
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2.53E+3n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonistic binding affinity of the compound against human 5-hydroxytryptamine 2A receptor in CHO cells using 8-OH-DPA radioligand


Bioorg Med Chem Lett 14: 2603-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.100
BindingDB Entry DOI: 10.7270/Q2QZ29F3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50145565
PNG
(1,2,3,4,8,9,10,11,12,13-decahydrocycloocta[b][1,4]...)
Show SMILES C1Cn2c3CCCCCCc3c3cccc(CN1)c23
Show InChI InChI=1S/C17H22N2/c1-2-4-9-16-14(7-3-1)15-8-5-6-13-12-18-10-11-19(16)17(13)15/h5-6,8,18H,1-4,7,9-12H2
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>5.00E+3n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity of the compound against 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 14: 2603-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.100
BindingDB Entry DOI: 10.7270/Q2QZ29F3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50145565
PNG
(1,2,3,4,8,9,10,11,12,13-decahydrocycloocta[b][1,4]...)
Show SMILES C1Cn2c3CCCCCCc3c3cccc(CN1)c23
Show InChI InChI=1S/C17H22N2/c1-2-4-9-16-14(7-3-1)15-8-5-6-13-12-18-10-11-19(16)17(13)15/h5-6,8,18H,1-4,7,9-12H2
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MMDB

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n/an/an/an/a 6.40E+4n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Effective concentration of the compound against human 5-hydroxytryptamine 2A receptor in CHO cells using 8-OH-DPA radioligand


Bioorg Med Chem Lett 14: 2603-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.100
BindingDB Entry DOI: 10.7270/Q2QZ29F3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%