Found 48 hits of Enzyme Inhibition Constant Data 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 2C
(Homo sapiens (Human)) | BDBM50271706
(CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...)Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3 | PDB
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| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Binding affinity to 5HT2C receptor |
Bioorg Med Chem 16: 6116-23 (2008)
Article DOI: 10.1016/j.bmc.2008.04.050
BindingDB Entry DOI: 10.7270/Q2G73FND |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM21342
((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 | PDB
MMDB
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| PDB
Article
PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor expressed in human A549 cells |
Bioorg Med Chem 16: 6116-23 (2008)
Article DOI: 10.1016/j.bmc.2008.04.050
BindingDB Entry DOI: 10.7270/Q2G73FND |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM21342
((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 | PDB
MMDB
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| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor expressed in human HEK293 cells |
Bioorg Med Chem 16: 6116-23 (2008)
Article DOI: 10.1016/j.bmc.2008.04.050
BindingDB Entry DOI: 10.7270/Q2G73FND |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM21342
((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 | PDB
MMDB
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| PDB
Article
PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Binding affinity to human 5HT2A receptor expressed in human A549 cells |
Bioorg Med Chem 16: 6116-23 (2008)
Article DOI: 10.1016/j.bmc.2008.04.050
BindingDB Entry DOI: 10.7270/Q2G73FND |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM21342
((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 | PDB
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Article
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Displacement of [3H]INBMeO from human 5HT2A receptor expressed in human A549 cells |
Bioorg Med Chem 16: 6116-23 (2008)
Article DOI: 10.1016/j.bmc.2008.04.050
BindingDB Entry DOI: 10.7270/Q2G73FND |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50016900
((E)-N-[2-(3-Dimethylamino-propylsulfanyl)-phenyl]-...)Show InChI InChI=1S/C20H24N2OS/c1-22(2)15-8-16-24-19-12-7-6-11-18(19)21-20(23)14-13-17-9-4-3-5-10-17/h3-7,9-14H,8,15-16H2,1-2H3,(H,21,23)/b14-13+ | PDB
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| Article
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor expressed in human HEK293 cells |
Bioorg Med Chem 16: 6116-23 (2008)
Article DOI: 10.1016/j.bmc.2008.04.050
BindingDB Entry DOI: 10.7270/Q2G73FND |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM28582
(1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine | CHE...)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 | PDB
MMDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor expressed in human HEK293 cells |
Bioorg Med Chem 16: 6116-23 (2008)
Article DOI: 10.1016/j.bmc.2008.04.050
BindingDB Entry DOI: 10.7270/Q2G73FND |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM28582
(1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine | CHE...)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 | PDB
MMDB
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Displacement of [3H]INBMeO from human 5HT2A receptor expressed in human HEK293 cells |
Bioorg Med Chem 16: 6116-23 (2008)
Article DOI: 10.1016/j.bmc.2008.04.050
BindingDB Entry DOI: 10.7270/Q2G73FND |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50016900
((E)-N-[2-(3-Dimethylamino-propylsulfanyl)-phenyl]-...)Show InChI InChI=1S/C20H24N2OS/c1-22(2)15-8-16-24-19-12-7-6-11-18(19)21-20(23)14-13-17-9-4-3-5-10-17/h3-7,9-14H,8,15-16H2,1-2H3,(H,21,23)/b14-13+ | PDB
MMDB
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| Article
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor expressed in human A549 cells |
Bioorg Med Chem 16: 6116-23 (2008)
Article DOI: 10.1016/j.bmc.2008.04.050
BindingDB Entry DOI: 10.7270/Q2G73FND |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50016900
((E)-N-[2-(3-Dimethylamino-propylsulfanyl)-phenyl]-...)Show InChI InChI=1S/C20H24N2OS/c1-22(2)15-8-16-24-19-12-7-6-11-18(19)21-20(23)14-13-17-9-4-3-5-10-17/h3-7,9-14H,8,15-16H2,1-2H3,(H,21,23)/b14-13+ | PDB
MMDB
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| Article
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| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Displacement of [3H]INBMeO from human 5HT2A receptor expressed in human HEK293 cells |
Bioorg Med Chem 16: 6116-23 (2008)
Article DOI: 10.1016/j.bmc.2008.04.050
BindingDB Entry DOI: 10.7270/Q2G73FND |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50016900
((E)-N-[2-(3-Dimethylamino-propylsulfanyl)-phenyl]-...)Show InChI InChI=1S/C20H24N2OS/c1-22(2)15-8-16-24-19-12-7-6-11-18(19)21-20(23)14-13-17-9-4-3-5-10-17/h3-7,9-14H,8,15-16H2,1-2H3,(H,21,23)/b14-13+ | PDB
MMDB
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| Article
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| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Displacement of [3H]INBMeO from human 5HT2A receptor expressed in human A549 cells |
Bioorg Med Chem 16: 6116-23 (2008)
Article DOI: 10.1016/j.bmc.2008.04.050
BindingDB Entry DOI: 10.7270/Q2G73FND |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM28582
(1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine | CHE...)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 | PDB
MMDB
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| Article
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| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Displacement of [3H]INBMeO from human 5HT2A receptor expressed in human A549 cells |
Bioorg Med Chem 16: 6116-23 (2008)
Article DOI: 10.1016/j.bmc.2008.04.050
BindingDB Entry DOI: 10.7270/Q2G73FND |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM28582
(1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine | CHE...)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 | PDB
MMDB
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CHEMBL
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PC sid
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| Article
PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor expressed in human A549 cells |
Bioorg Med Chem 16: 6116-23 (2008)
Article DOI: 10.1016/j.bmc.2008.04.050
BindingDB Entry DOI: 10.7270/Q2G73FND |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50271706
(CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...)Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3 | PDB
Reactome pathway
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| Article
PubMed
| 73 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Binding affinity to 5HT6 receptor |
Bioorg Med Chem 16: 6116-23 (2008)
Article DOI: 10.1016/j.bmc.2008.04.050
BindingDB Entry DOI: 10.7270/Q2G73FND |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50271706
(CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...)Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3 | PDB
NCI pathway
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| Article
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| 82 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Binding affinity to mu opioid receptor |
Bioorg Med Chem 16: 6116-23 (2008)
Article DOI: 10.1016/j.bmc.2008.04.050
BindingDB Entry DOI: 10.7270/Q2G73FND |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(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
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| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor expressed in human A549 cells |
Bioorg Med Chem 16: 6116-23 (2008)
Article DOI: 10.1016/j.bmc.2008.04.050
BindingDB Entry DOI: 10.7270/Q2G73FND |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(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
MMDB
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| Article
PubMed
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor expressed in human HEK293 cells |
Bioorg Med Chem 16: 6116-23 (2008)
Article DOI: 10.1016/j.bmc.2008.04.050
BindingDB Entry DOI: 10.7270/Q2G73FND |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(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
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| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Displacement of [3H]INBMeO from human 5HT2A receptor expressed in human HEK293 cells |
Bioorg Med Chem 16: 6116-23 (2008)
Article DOI: 10.1016/j.bmc.2008.04.050
BindingDB Entry DOI: 10.7270/Q2G73FND |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(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
MMDB
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| Article
PubMed
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Displacement of [3H]INBMeO from human 5HT2A receptor expressed in human A549 cells |
Bioorg Med Chem 16: 6116-23 (2008)
Article DOI: 10.1016/j.bmc.2008.04.050
BindingDB Entry DOI: 10.7270/Q2G73FND |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50271706
(CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...)Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3 | PDB
Reactome pathway
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| Article
PubMed
| 189 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Binding affinity to histamine H1 receptor |
Bioorg Med Chem 16: 6116-23 (2008)
Article DOI: 10.1016/j.bmc.2008.04.050
BindingDB Entry DOI: 10.7270/Q2G73FND |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50271706
(CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...)Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3 | PDB
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PubMed
| 231 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Binding affinity to 5HT2B receptor |
Bioorg Med Chem 16: 6116-23 (2008)
Article DOI: 10.1016/j.bmc.2008.04.050
BindingDB Entry DOI: 10.7270/Q2G73FND |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50271706
(CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...)Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3 | PDB
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| 288 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Binding affinity to kappa opioid receptor |
Bioorg Med Chem 16: 6116-23 (2008)
Article DOI: 10.1016/j.bmc.2008.04.050
BindingDB Entry DOI: 10.7270/Q2G73FND |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM50271706
(CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...)Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3 | Reactome pathway
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| >500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M5 receptor |
Bioorg Med Chem 16: 6116-23 (2008)
Article DOI: 10.1016/j.bmc.2008.04.050
BindingDB Entry DOI: 10.7270/Q2G73FND |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50271706
(CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...)Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3 | PDB
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| >500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Binding affinity to 5HT7 receptor |
Bioorg Med Chem 16: 6116-23 (2008)
Article DOI: 10.1016/j.bmc.2008.04.050
BindingDB Entry DOI: 10.7270/Q2G73FND |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50271706
(CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...)Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3 | PDB
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| >500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Binding affinity to 5HT1A receptor |
Bioorg Med Chem 16: 6116-23 (2008)
Article DOI: 10.1016/j.bmc.2008.04.050
BindingDB Entry DOI: 10.7270/Q2G73FND |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM50271706
(CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...)Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3 | PDB
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| >500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Binding affinity to histamine H2 receptor |
Bioorg Med Chem 16: 6116-23 (2008)
Article DOI: 10.1016/j.bmc.2008.04.050
BindingDB Entry DOI: 10.7270/Q2G73FND |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50271706
(CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...)Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3 | PDB
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| >500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Binding affinity to dopamine D3 receptor |
Bioorg Med Chem 16: 6116-23 (2008)
Article DOI: 10.1016/j.bmc.2008.04.050
BindingDB Entry DOI: 10.7270/Q2G73FND |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50271706
(CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...)Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3 | PDB
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| >500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Binding affinity to dopamine D2 receptor |
Bioorg Med Chem 16: 6116-23 (2008)
Article DOI: 10.1016/j.bmc.2008.04.050
BindingDB Entry DOI: 10.7270/Q2G73FND |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50271706
(CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...)Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3 | NCI pathway
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| >500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Binding affinity to dopamine uptake transporter |
Bioorg Med Chem 16: 6116-23 (2008)
Article DOI: 10.1016/j.bmc.2008.04.050
BindingDB Entry DOI: 10.7270/Q2G73FND |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50271706
(CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...)Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3 | PDB
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| >500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Binding affinity to dopamine D1 receptor |
Bioorg Med Chem 16: 6116-23 (2008)
Article DOI: 10.1016/j.bmc.2008.04.050
BindingDB Entry DOI: 10.7270/Q2G73FND |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50271706
(CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...)Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3 | PDB
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| >500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Binding affinity to alpha 1A adrenergic receptor |
Bioorg Med Chem 16: 6116-23 (2008)
Article DOI: 10.1016/j.bmc.2008.04.050
BindingDB Entry DOI: 10.7270/Q2G73FND |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50271706
(CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...)Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3 | PDB
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| >500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Binding affinity to 5HT1D receptor |
Bioorg Med Chem 16: 6116-23 (2008)
Article DOI: 10.1016/j.bmc.2008.04.050
BindingDB Entry DOI: 10.7270/Q2G73FND |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50271706
(CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...)Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3 | PDB
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| >500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Binding affinity to 5HT3 receptor |
Bioorg Med Chem 16: 6116-23 (2008)
Article DOI: 10.1016/j.bmc.2008.04.050
BindingDB Entry DOI: 10.7270/Q2G73FND |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50271706
(CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...)Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3 | PDB
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| >500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Binding affinity to delta opioid receptor |
Bioorg Med Chem 16: 6116-23 (2008)
Article DOI: 10.1016/j.bmc.2008.04.050
BindingDB Entry DOI: 10.7270/Q2G73FND |
More data for this
Ligand-Target Pair | |
D(1B) dopamine receptor
(Homo sapiens (Human)) | BDBM50271706
(CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...)Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3 | PDB
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| >500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Binding affinity to dopamine D5 receptor |
Bioorg Med Chem 16: 6116-23 (2008)
Article DOI: 10.1016/j.bmc.2008.04.050
BindingDB Entry DOI: 10.7270/Q2G73FND |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50271706
(CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...)Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3 | PDB
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| >500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Binding affinity to serotonin uptake transporter |
Bioorg Med Chem 16: 6116-23 (2008)
Article DOI: 10.1016/j.bmc.2008.04.050
BindingDB Entry DOI: 10.7270/Q2G73FND |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50271706
(CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...)Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3 | PDB
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| >500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Binding affinity to 5HT1B receptor |
Bioorg Med Chem 16: 6116-23 (2008)
Article DOI: 10.1016/j.bmc.2008.04.050
BindingDB Entry DOI: 10.7270/Q2G73FND |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 5A
(Homo sapiens (Human)) | BDBM50271706
(CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...)Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3 | PDB
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| >500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Binding affinity to 5HT5A receptor |
Bioorg Med Chem 16: 6116-23 (2008)
Article DOI: 10.1016/j.bmc.2008.04.050
BindingDB Entry DOI: 10.7270/Q2G73FND |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50271706
(CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...)Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3 | PDB
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| >500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M3 receptor |
Bioorg Med Chem 16: 6116-23 (2008)
Article DOI: 10.1016/j.bmc.2008.04.050
BindingDB Entry DOI: 10.7270/Q2G73FND |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50271706
(CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...)Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3 | PDB
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| >500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M4 receptor |
Bioorg Med Chem 16: 6116-23 (2008)
Article DOI: 10.1016/j.bmc.2008.04.050
BindingDB Entry DOI: 10.7270/Q2G73FND |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50271706
(CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...)Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3 | PDB
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| >500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Binding affinity to histamine H3 receptor |
Bioorg Med Chem 16: 6116-23 (2008)
Article DOI: 10.1016/j.bmc.2008.04.050
BindingDB Entry DOI: 10.7270/Q2G73FND |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50271706
(CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...)Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3 | UniProtKB/SwissProt
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| >500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M1 receptor |
Bioorg Med Chem 16: 6116-23 (2008)
Article DOI: 10.1016/j.bmc.2008.04.050
BindingDB Entry DOI: 10.7270/Q2G73FND |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50271706
(CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...)Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M2 receptor |
Bioorg Med Chem 16: 6116-23 (2008)
Article DOI: 10.1016/j.bmc.2008.04.050
BindingDB Entry DOI: 10.7270/Q2G73FND |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM50271706
(CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...)Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Binding affinity to 5HT1E receptor |
Bioorg Med Chem 16: 6116-23 (2008)
Article DOI: 10.1016/j.bmc.2008.04.050
BindingDB Entry DOI: 10.7270/Q2G73FND |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50271706
(CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...)Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.0970 | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Binding affinity to human 5HT2A receptor expressed in human A549 cells |
Bioorg Med Chem 16: 6116-23 (2008)
Article DOI: 10.1016/j.bmc.2008.04.050
BindingDB Entry DOI: 10.7270/Q2G73FND |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM21395
(3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...)Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1 Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Binding affinity to human 5HT2A receptor expressed in human HEK293 cells |
Bioorg Med Chem 16: 6116-23 (2008)
Article DOI: 10.1016/j.bmc.2008.04.050
BindingDB Entry DOI: 10.7270/Q2G73FND |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM21395
(3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...)Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1 Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Binding affinity to human 5HT2A receptor expressed in human A549 cells |
Bioorg Med Chem 16: 6116-23 (2008)
Article DOI: 10.1016/j.bmc.2008.04.050
BindingDB Entry DOI: 10.7270/Q2G73FND |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50271706
(CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...)Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.150 | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Binding affinity to human 5HT2A receptor expressed in human HEK293 cells |
Bioorg Med Chem 16: 6116-23 (2008)
Article DOI: 10.1016/j.bmc.2008.04.050
BindingDB Entry DOI: 10.7270/Q2G73FND |
More data for this
Ligand-Target Pair | |
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