BindingDB

null

SMILES COc1ccc2[nH]cc(CCN)c2c1

InChI Key InChIKey=JTEJPPKMYBDEMY-UHFFFAOYSA-N

PDB links: 4 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 82087

5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL

BDBM82087(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)copy SMILEScopy InChI

Ki: 3.20nMAssay Description:In vitro affinity at human cloned 5-hydroxytryptamine 1A receptor by [3H]-8-OH-DPAT displacement.More data for this Ligand-Target Pair

PDB
UniProtKB/SwissProt
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BindingDB Entry DOI: 10.7270/Q2DJ5DRKPubMed

5-hydroxytryptamine receptor 1B(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL

BDBM82087(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)copy SMILEScopy InChI

Ki: 3.5nMAssay Description:Binding affinity for recombinant human 5-hydroxytryptamine 1D receptor beta was determined using [3H]-5-HT as radioligandMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
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BindingDB Entry DOI: 10.7270/Q2DJ5DRKPubMed

5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL

BDBM82087(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)copy SMILEScopy InChI

Ki: 4.10nMAssay Description:Binding affinity of the compound towards 5-hydroxytryptamine 1D receptor was determined in calf striatum homogenateMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
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BindingDB Entry DOI: 10.7270/Q2DJ5DRKPubMed

5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL

BDBM82087(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)copy SMILEScopy InChI

Ki: 5.40nMAssay Description:Selectivity of the compound towards 5-hydroxytryptamine 1D receptor beta to that of 5-hydroxytryptamine 1D receptor alphaMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar

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Details Article
BindingDB Entry DOI: 10.7270/Q2DJ5DRKPubMed

Targets 21 ▿
- 5-hydroxytryptamine receptor 4 34
- 5-hydroxytryptamine receptor 7 23
- 5-hydroxytryptamine receptor 1B 15
- 5-hydroxytryptamine receptor 6 14
- 5-hydroxytryptamine receptor 2A 12
- 5-hydroxytryptamine receptor 1D 10
- 5-hydroxytryptamine receptor 2C 9
- 5-hydroxytryptamine receptor 1A 8
- Serotonin 2 (5-HT2) receptor 8
- 5-hydroxytryptamine receptor 2B 5
- Transient receptor potential cation channel subfamily M member 8 2
- Melatonin receptor 2
- Sodium-dependent serotonin transporter 1
- 5-hydroxytryptamine receptor 1A/1B/1D/1F 1
- 5-hydroxytryptamine 1D receptor 1
- Melatonin receptor type 1A 1
- Sodium-dependent dopamine transporter 1
- 5-hydroxytryptamine receptor 1F 1
- Melatonin receptor type 1B 1
- Transporter 1
- 5-hydroxytryptamine receptor 1E 1
- ...
Publications 50 ▿
- Neuropharmacology 33: 275-317 (1994) 21
- J Med Chem 30: 1-12 (1987) 9
- Trends Pharmacol Sci 18: 104-7 (1997) 5
- Neuropharmacology 36: 621-9 (1997) 5
- J Neurochem 70: 2252-61 (1998) 4
- J Neurochem 69: 1810-9 (1997) 4
- Eur J Pharmacol 298: 165-74 (1996) 4
- J Med Chem 39: 314-22 (1996) 4
- J Med Chem 31: 867-70 (1988) 4
- Bioorg Med Chem Lett 24: 4754-8 (2014) 4
- Synapse 35: 144-50 (2000) 4
- Proc Natl Acad Sci U S A 89: 3630-4 (1992) 3
- J Pharmacol Exp Ther 265: 1272-9 (1993) 3
- Naunyn Schmiedebergs Arch Pharmacol 356: 328-34 (1997) 3
- Mol Pharmacol 64: 1295-308 (2003) 3
- Life Sci 33: 2011-6 (1983) 3
- J Neurochem 74: 478-89 (2000) 3
- J Med Chem 37: 1929-35 (1994) 3
- Neuropharmacology 36: 671-9 (1997) 3
- Naunyn Schmiedebergs Arch Pharmacol 355: 365-75 (1997) 3
- J Biol Chem 268: 23422-6 (1993) 3
- FEBS Lett 398: 19-25 (1996) 2
- Br J Pharmacol 126: 179-88 (1999) 2
- J Pharmacol Exp Ther 276: 720-7 (1996) 2
- Neuroreport 8: 3189-96 (1997) 2
- Eur J Pharmacol 304: 231-5 (1996) 2
- Bioorg Med Chem Lett 20: 7076-9 (2010) 2
- Ann N Y Acad Sci 861: 140-5 (1998) 2
- Eur J Med Chem 44: 2952-9 (2009) 2
- Nature 305: 140-2 (1983) 2
- J Med Chem 31: 1406-12 (1988) 2
- J Med Chem 33: 2777-84 (1990) 2
- Br J Pharmacol 109: 618-24 (1993) 2
- Neuropharmacology 36: 713-20 (1997) 2
- Naunyn Schmiedebergs Arch Pharmacol 363: 146-60 (2001) 2
- J Biol Chem 268: 18200-4 (1993) 2
- Br J Pharmacol 115: 107-16 (1995) 2
- Mol Pharmacol 43: 320-7 (1993) 2
- J Med Chem 46: 2795-812 (2003) 1
- Mol Pharmacol 42: 180-5 (1992) 1
- Proc Natl Acad Sci U S A 90: 8547-51 (1993) 1
- J Med Chem 43: 1011-8 (2000) 1
- Br J Pharmacol 122: 126-32 (1997) 1
- J Med Chem 39: 126-34 (1996) 1
- J Med Chem 32: 1921-6 (1989) 1
- Eur J Med Chem 183: (2019) 1
- J Med Chem 46: 5365-74 (2003) 1
- J Neurochem 66: 47-56 (1996) 1
- Neurochem Int 24: 101-46 (1994) 1
- Mol Pharmacol 40: 143-8 (1991) 1
- ...
Institutions 32 ▿
- [University of Alberta] 21
- [Virginia Commonwealth University] 16
- [Roche Bioscience] 14
- [TBA, Synaptic Pharmaceutical Corporation] 9
- [TBA, Synaptic Pharmaceutical Corporation] 9
- [CNRS UPR 9023] 8
- [Janssen Research Foundation] 7
- [Albany Medical College] 6
- [National Institute of Neurological Disorders and Stroke, Monash University, Université de Paris-Sud, Research Triangle Institute] 4
- [National Institute of Neurological Disorders and Stroke, Monash University, Université de Paris-Sud, Research Triangle Institute] 4
- [National Institute of Neurological Disorders and Stroke, Monash University, Université de Paris-Sud, Research Triangle Institute] 4
- [National Institute of Neurological Disorders and Stroke, Monash University, Université de Paris-Sud, Research Triangle Institute] 4
- [GlaxoSmithKline, Lilly Research Laboratories, Rhône-Poulenc Rorer, Northwestern University, University of Toronto] 3
- [GlaxoSmithKline, Lilly Research Laboratories, Rhône-Poulenc Rorer, Northwestern University, University of Toronto] 3
- [GlaxoSmithKline, Lilly Research Laboratories, Rhône-Poulenc Rorer, Northwestern University, University of Toronto] 3
- [GlaxoSmithKline, Lilly Research Laboratories, Rhône-Poulenc Rorer, Northwestern University, University of Toronto] 3
- [GlaxoSmithKline, Lilly Research Laboratories, Rhône-Poulenc Rorer, Northwestern University, University of Toronto] 3
- [Syntex Discovery Research, INSERM U. 114, F. Hoffmann-La Roche Ltd., Purdue University, University of Oslo, Renovis, Inc., Eli Lilly and Company, Glaxo Group Research Ltd.] 2
- [Syntex Discovery Research, INSERM U. 114, F. Hoffmann-La Roche Ltd., Purdue University, University of Oslo, Renovis, Inc., Eli Lilly and Company, Glaxo Group Research Ltd.] 2
- [Syntex Discovery Research, INSERM U. 114, F. Hoffmann-La Roche Ltd., Purdue University, University of Oslo, Renovis, Inc., Eli Lilly and Company, Glaxo Group Research Ltd.] 2
- [Syntex Discovery Research, INSERM U. 114, F. Hoffmann-La Roche Ltd., Purdue University, University of Oslo, Renovis, Inc., Eli Lilly and Company, Glaxo Group Research Ltd.] 2
- [Syntex Discovery Research, INSERM U. 114, F. Hoffmann-La Roche Ltd., Purdue University, University of Oslo, Renovis, Inc., Eli Lilly and Company, Glaxo Group Research Ltd.] 2
- [Syntex Discovery Research, INSERM U. 114, F. Hoffmann-La Roche Ltd., Purdue University, University of Oslo, Renovis, Inc., Eli Lilly and Company, Glaxo Group Research Ltd.] 2
- [Syntex Discovery Research, INSERM U. 114, F. Hoffmann-La Roche Ltd., Purdue University, University of Oslo, Renovis, Inc., Eli Lilly and Company, Glaxo Group Research Ltd.] 2
- [Syntex Discovery Research, INSERM U. 114, F. Hoffmann-La Roche Ltd., Purdue University, University of Oslo, Renovis, Inc., Eli Lilly and Company, Glaxo Group Research Ltd.] 2
- [U. 109, State University of Groningen, Seattle Veterans Affairs Medical Center, University of Washington, Normandie Univ, Universit£ de Lausanne, Rowett Research Institute] 1
- [U. 109, State University of Groningen, Seattle Veterans Affairs Medical Center, University of Washington, Normandie Univ, Universit£ de Lausanne, Rowett Research Institute] 1
- [U. 109, State University of Groningen, Seattle Veterans Affairs Medical Center, University of Washington, Normandie Univ, Universit£ de Lausanne, Rowett Research Institute] 1
- [U. 109, State University of Groningen, Seattle Veterans Affairs Medical Center, University of Washington, Normandie Univ, Universit£ de Lausanne, Rowett Research Institute] 1
- [U. 109, State University of Groningen, Seattle Veterans Affairs Medical Center, University of Washington, Normandie Univ, Universit£ de Lausanne, Rowett Research Institute] 1
- [U. 109, State University of Groningen, Seattle Veterans Affairs Medical Center, University of Washington, Normandie Univ, Universit£ de Lausanne, Rowett Research Institute] 1
- [U. 109, State University of Groningen, Seattle Veterans Affairs Medical Center, University of Washington, Normandie Univ, Universit£ de Lausanne, Rowett Research Institute] 1
- ...
Affinity: 0.25 to 1.2E+4 nM▿
- Ki 145
- IC50 2
- EC50 4
- Affinity ≤ nM
Xtal structures: 0
Docked structures: 0
Catalog Cmpds: 1