Found 46 hits Enz. Inhib. hit(s) with all data for entry = 50017283 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50180054
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3 | PDB
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons
Curated by ChEMBL
| Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells |
J Med Chem 49: 125-34 (2006)
Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50180054
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3 | PDB
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| 8.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons
Curated by ChEMBL
| Assay Description
Binding affinity to dopamine D4 receptor |
J Med Chem 49: 125-34 (2006)
Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50180054
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3 | PDB
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| 9.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons
Curated by ChEMBL
| Assay Description
Binding affinity to human 5HT7 receptor |
J Med Chem 49: 125-34 (2006)
Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50180054
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3 | PDB
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| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons
Curated by ChEMBL
| Assay Description
Binding affinity to dopamine D2 receptor |
J Med Chem 49: 125-34 (2006)
Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50180054
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3 | PDB
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| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons
Curated by ChEMBL
| Assay Description
Binding affinity to adrenergic alpha-2C receptor |
J Med Chem 49: 125-34 (2006)
Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD |
More data for this
Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50180054
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3 | PDB
MMDB
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| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons
Curated by ChEMBL
| Assay Description
Binding affinity to adrenergic alpha-1 receptor |
J Med Chem 49: 125-34 (2006)
Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50180054
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3 | PDB
MMDB
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| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons
Curated by ChEMBL
| Assay Description
Binding affinity to human 5HT2A receptor |
J Med Chem 49: 125-34 (2006)
Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50180054
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3 | PDB
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| 61 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons
Curated by ChEMBL
| Assay Description
Binding affinity to adrenergic beta-2 receptor |
J Med Chem 49: 125-34 (2006)
Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50180054
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3 | PDB
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| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons
Curated by ChEMBL
| Assay Description
Binding affinity to dopamine D3 receptor |
J Med Chem 49: 125-34 (2006)
Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50180054
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3 | PDB
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| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons
Curated by ChEMBL
| Assay Description
Binding affinity to human 5HT2C receptor |
J Med Chem 49: 125-34 (2006)
Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50180054
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3 | PDB
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| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons
Curated by ChEMBL
| Assay Description
Binding affinity to human 5HT6 receptor |
J Med Chem 49: 125-34 (2006)
Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50180054
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3 | PDB
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| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons
Curated by ChEMBL
| Assay Description
Binding affinity to histamine H1 receptor |
J Med Chem 49: 125-34 (2006)
Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 5A
(Homo sapiens (Human)) | BDBM50180054
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3 | PDB
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| 229 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons
Curated by ChEMBL
| Assay Description
Binding affinity to human 5HT5A receptor |
J Med Chem 49: 125-34 (2006)
Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM50180054
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3 | PDB
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| 302 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons
Curated by ChEMBL
| Assay Description
Binding affinity to histamine H2 receptor |
J Med Chem 49: 125-34 (2006)
Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD |
More data for this
Ligand-Target Pair | |
Alpha-2B adrenergic receptor
(Homo sapiens (Human)) | BDBM50180054
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3 | PDB
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| 316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons
Curated by ChEMBL
| Assay Description
Binding affinity to adrenergic alpha-2B receptor |
J Med Chem 49: 125-34 (2006)
Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50180054
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3 | NCI pathway
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| 407 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons
Curated by ChEMBL
| Assay Description
Binding affinity to DAT |
J Med Chem 49: 125-34 (2006)
Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50180054
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3 | PDB
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| 476 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons
Curated by ChEMBL
| Assay Description
Binding affinity to adrenergic beta-1 receptor |
J Med Chem 49: 125-34 (2006)
Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50180054
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3 | PDB
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| 480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons
Curated by ChEMBL
| Assay Description
Binding affinity to sigma1 receptor |
J Med Chem 49: 125-34 (2006)
Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM50180054
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3 | PDB
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PubMed
| 1.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons
Curated by ChEMBL
| Assay Description
Binding affinity to adrenergic alpha-2A receptor |
J Med Chem 49: 125-34 (2006)
Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50180054
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3 | PDB
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PubMed
| 6.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons
Curated by ChEMBL
| Assay Description
Binding affinity to SERT |
J Med Chem 49: 125-34 (2006)
Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50180054
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3 | Reactome pathway
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PubMed
| 6.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons
Curated by ChEMBL
| Assay Description
Binding affinity to NET |
J Med Chem 49: 125-34 (2006)
Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50180054
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3 | PDB
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PubMed
| 7.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons
Curated by ChEMBL
| Assay Description
Binding affinity to dopamine D1 receptor |
J Med Chem 49: 125-34 (2006)
Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD |
More data for this
Ligand-Target Pair | |
Histamine H4 receptor
(Homo sapiens (Human)) | BDBM50180054
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3 | PDB
Reactome pathway
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PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons
Curated by ChEMBL
| Assay Description
Binding affinity to histamine H4 receptor |
J Med Chem 49: 125-34 (2006)
Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Homo sapiens (Human)) | BDBM50180054
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons
Curated by ChEMBL
| Assay Description
Binding affinity to vasopressin 2 receptor |
J Med Chem 49: 125-34 (2006)
Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50180054
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
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PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons
Curated by ChEMBL
| Assay Description
Binding affinity to adenosine A4 receptor |
J Med Chem 49: 125-34 (2006)
Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50180054
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3 | PDB
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PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons
Curated by ChEMBL
| Assay Description
Binding affinity to MDR1 |
J Med Chem 49: 125-34 (2006)
Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD |
More data for this
Ligand-Target Pair | |
Chromaffin granule amine transporter
(Homo sapiens (Human)) | BDBM50180054
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3 | PDB
Reactome pathway
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PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons
Curated by ChEMBL
| Assay Description
Binding affinity to VMAT1 |
J Med Chem 49: 125-34 (2006)
Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50180054
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3 | Reactome pathway
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PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons
Curated by ChEMBL
| Assay Description
Binding affinity to adenosine A3 receptor |
J Med Chem 49: 125-34 (2006)
Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50180054
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3 | PDB
Reactome pathway
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PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons
Curated by ChEMBL
| Assay Description
Binding affinity to CB2 receptor |
J Med Chem 49: 125-34 (2006)
Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD |
More data for this
Ligand-Target Pair | |
Tumor necrosis factor receptor superfamily member 16
(Homo sapiens (Human)) | BDBM50180054
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons
Curated by ChEMBL
| Assay Description
Binding affinity to neurotrophin receptor |
J Med Chem 49: 125-34 (2006)
Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD |
More data for this
Ligand-Target Pair | |
Synaptic vesicular amine transporter
(Homo sapiens (Human)) | BDBM50180054
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3 | PDB
Reactome pathway
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PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons
Curated by ChEMBL
| Assay Description
Binding affinity to VMAT2 |
J Med Chem 49: 125-34 (2006)
Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50180054
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3 | PDB
MMDB
Reactome pathway
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PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons
Curated by ChEMBL
| Assay Description
Binding affinity to hERG |
J Med Chem 49: 125-34 (2006)
Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50180054
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3 | PDB
Reactome pathway
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PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons
Curated by ChEMBL
| Assay Description
Binding affinity to histamine H3 receptor |
J Med Chem 49: 125-34 (2006)
Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50180054
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3 | PDB
NCI pathway
Reactome pathway
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons
Curated by ChEMBL
| Assay Description
Binding affinity to mu opioid receptor |
J Med Chem 49: 125-34 (2006)
Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50180054
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3 | PDB
NCI pathway
Reactome pathway
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PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons
Curated by ChEMBL
| Assay Description
Binding affinity to CB1 receptor |
J Med Chem 49: 125-34 (2006)
Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a/A2b
(Homo sapiens (Human)) | BDBM50180054
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons
Curated by ChEMBL
| Assay Description
Binding affinity to adenosine A2 receptor |
J Med Chem 49: 125-34 (2006)
Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50180054
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3 | PDB
Reactome pathway
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons
Curated by ChEMBL
| Assay Description
Binding affinity to Delta opioid receptor |
J Med Chem 49: 125-34 (2006)
Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(Homo sapiens (Human)) | BDBM50180054
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3 | PDB
MMDB
NCI pathway
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic receptor |
J Med Chem 49: 125-34 (2006)
Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD |
More data for this
Ligand-Target Pair | |
Vasopressin V1a/V1b receptor
(Homo sapiens (Human)) | BDBM50180054
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3 | PDB
MMDB
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CHEMBL
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PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons
Curated by ChEMBL
| Assay Description
Binding affinity to vasopressin 1 receptor |
J Med Chem 49: 125-34 (2006)
Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50180054
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3 | PDB
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PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons
Curated by ChEMBL
| Assay Description
Binding affinity to adrenergic beta-3 receptor |
J Med Chem 49: 125-34 (2006)
Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD |
More data for this
Ligand-Target Pair | |
D(1B) dopamine receptor
(Homo sapiens (Human)) | BDBM50180054
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons
Curated by ChEMBL
| Assay Description
Binding affinity to dopamine D5 receptor |
J Med Chem 49: 125-34 (2006)
Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50180054
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3 | PDB
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CHEMBL
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PC sid
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PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons
Curated by ChEMBL
| Assay Description
Binding affinity to kappa opioid receptor |
J Med Chem 49: 125-34 (2006)
Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM10755
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2 | PDB
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Article
PubMed
| n/a | n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons
Curated by ChEMBL
| Assay Description
Agonistic activity at human 5HT1A in CHO cells by the inhibition of forskolin-stimulated cAMP accumulation |
J Med Chem 49: 125-34 (2006)
Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50180054
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3 | PDB
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PubMed
| n/a | n/a | n/a | n/a | 0.0100 | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons
Curated by ChEMBL
| Assay Description
Agonistic activity at human 5HT1A in CHO cells by the inhibition of forskolin-stimulated cAMP accumulation |
J Med Chem 49: 125-34 (2006)
Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50180054
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3 | PDB
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PubMed
| n/a | n/a | n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons
Curated by ChEMBL
| Assay Description
Agonistic activity at human 5HT1A receptor by [35S]GTP-gamma-S binding |
J Med Chem 49: 125-34 (2006)
Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM10755
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2 | PDB
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CHEMBL
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| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons
Curated by ChEMBL
| Assay Description
Agonistic activity at human 5HT1A in CHO cells by the inhibition of forskolin-stimulated cAMP accumulation |
J Med Chem 49: 125-34 (2006)
Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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