BindingDB

null

SMILES NCCc1c[nH]c2ccc(cc12)C(N)=O

InChI Key InChIKey=WKZLNEWVIAGNAW-UHFFFAOYSA-N

PDB links: 3 PDB IDs match this monomer. 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 21392

5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Cerebrus Ltd

Curated by PDSP K_i Database

BDBM21392(3-(2-aminoethyl)-1H-indole-5-carboxamide | 5-CT | ...)copy SMILEScopy InChI

Ki: 550nMMore data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

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BindingDB Entry DOI: 10.7270/Q2GH9GH2PubMed

5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Cerebrus Ltd

Curated by PDSP K_i Database

BDBM21392(3-(2-aminoethyl)-1H-indole-5-carboxamide | 5-CT | ...)copy SMILEScopy InChI

Ki: <5.01E+3nMAssay Description:Binding affinity against 5-hydroxytryptamine 2A receptor human cloned receptors in HEK 293 cells using [3H]ketanserin as radioligandMore data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

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BindingDB Entry DOI: 10.7270/Q2Q242ZQPubMed

5-hydroxytryptamine receptor 2A(Rattus norvegicus (rat))
TBA

Curated by ChEMBL

BDBM21392(3-(2-aminoethyl)-1H-indole-5-carboxamide | 5-CT | ...)copy SMILEScopy InChI

IC50: 2.19E+4nMAssay Description:In Vitro Binding affinity againist 5-HT2A receptor by displacing [3H]-DOB from rat cortex homogenatesMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar

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BindingDB Entry DOI: 10.7270/Q2TH8P0J

Targets 15 ▿
- 5-hydroxytryptamine receptor 7 37
- 5-hydroxytryptamine receptor 1B 16
- 5-hydroxytryptamine receptor 1A 12
- 5-hydroxytryptamine receptor 4 11
- 5-hydroxytryptamine receptor 1D 11
- 5-hydroxytryptamine receptor 2C 9
- 5-hydroxytryptamine receptor 2B 8
- 5-hydroxytryptamine receptor 6 7
- 5-hydroxytryptamine receptor 1E 6
- 5-hydroxytryptamine receptor 5B 5
- 5-hydroxytryptamine receptor 5A 5
- 5-hydroxytryptamine receptor 1F 4
- 5-hydroxytryptamine receptor 2A 3
- Serotonin 2 (5-HT2) receptor 2
- 5-hydroxytryptamine 1D receptor 1
- ...
Publications 50 ▿
- Neuropharmacology 33: 275-317 (1994) 40
- J Med Chem 46: 5117-20 (2003) 6
- Trends Pharmacol Sci 18: 104-7 (1997) 5
- J Med Chem 46: 2795-812 (2003) 5
- Bioorg Med Chem Lett 4: 1207-1212 (1994) 4
- J Med Chem 36: 1918-9 (1993) 4
- J Med Chem 30: 1-12 (1987) 3
- Br J Pharmacol 128: 13-20 (1999) 3
- Proc Natl Acad Sci U S A 89: 3630-4 (1992) 3
- FEBS Lett 398: 19-25 (1996) 2
- J Pharmacol Exp Ther 276: 720-7 (1996) 2
- Mol Pharmacol 42: 180-5 (1992) 2
- Naunyn Schmiedebergs Arch Pharmacol 370: 114-23 (2004) 2
- Synapse 35: 144-50 (2000) 2
- J Med Chem 47: 6616-24 (2004) 2
- J Med Chem 45: 2197-206 (2002) 2
- J Med Chem 51: 5813-22 (2008) 2
- Naunyn Schmiedebergs Arch Pharmacol 356: 328-34 (1997) 2
- Neuropharmacology 36: 671-9 (1997) 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 46: 227-34 (1994) 2
- J Biol Chem 268: 23422-6 (1993) 2
- Mol Pharmacol 43: 320-7 (1993) 2
- Psychopharmacology (Berl) 124: 57-73 (1996) 1
- Neuroreport 8: 3189-96 (1997) 1
- Neuron 11: 449-58 (1993) 1
- Eur J Pharmacol 304: 231-5 (1996) 1
- Eur J Med Chem 180: 673-689 (2019) 1
- J Med Chem 55: 6375-80 (2012) 1
- Bioorg Med Chem 15: 5316-21 (2007) 1
- Proc Natl Acad Sci U S A 90: 3452-6 (1993) 1
- Br J Pharmacol 109: 618-24 (1993) 1
- Proc Natl Acad Sci U S A 90: 408-12 (1993) 1
- Neuropsychopharmacology 3: 349-60 (1990) 1
- J Med Chem 50: 4214-21 (2007) 1
- J Med Chem 36: 1529-38 (1993) 1
- J Med Chem 38: 1799-810 (1995) 1
- J Neurosci 9: 3482-90 (1989) 1
- Br J Pharmacol 122: 126-32 (1997) 1
- J Med Chem 43: 1339-49 (2001) 1
- J Med Chem 39: 126-34 (1996) 1
- Life Sci 68: 29-39 (2000) 1
- Ann N Y Acad Sci 861: 140-5 (1998) 1
- J Med Chem 46: 5365-74 (2003) 1
- J Med Chem 61: 8475-8503 (2018) 1
- Mol Pharmacol 43: 313-9 (1993) 1
- Biochem Pharmacol 45: 1003-9 (1993) 1
- ...
Institutions 36 ▿
- [University of Alberta] 40
- [Synaptic Pharmaceutical Corporation] 9
- [Roche Bioscience] 8
- [TBA] 7
- [GlaxoSmithKline R&D] 6
- [Università degli Studi di Bari, Virginia Commonwealth University] 5
- [Università degli Studi di Bari, Virginia Commonwealth University] 5
- [National Institute of Neurological Disorders and Stroke, SmithKline Beecham Pharmaceuticals, Eli Lilly and Company] 4
- [National Institute of Neurological Disorders and Stroke, SmithKline Beecham Pharmaceuticals, Eli Lilly and Company] 4
- [National Institute of Neurological Disorders and Stroke, SmithKline Beecham Pharmaceuticals, Eli Lilly and Company] 4
- [Albany Medical College, Cerebrus Ltd, CNRS UPR 9023] 3
- [Albany Medical College, Cerebrus Ltd, CNRS UPR 9023] 3
- [Albany Medical College, Cerebrus Ltd, CNRS UPR 9023] 3
- [Syntex Discovery Research, Vernalis Research, F. Hoffmann-La Roche Ltd., The Scripps Research Institute, Rhône-Poulenc Rorer, University of Oslo, Meiji Seika Kaisha Ltd.] 2
- [Syntex Discovery Research, Vernalis Research, F. Hoffmann-La Roche Ltd., The Scripps Research Institute, Rhône-Poulenc Rorer, University of Oslo, Meiji Seika Kaisha Ltd.] 2
- [Syntex Discovery Research, Vernalis Research, F. Hoffmann-La Roche Ltd., The Scripps Research Institute, Rhône-Poulenc Rorer, University of Oslo, Meiji Seika Kaisha Ltd.] 2
- [Syntex Discovery Research, Vernalis Research, F. Hoffmann-La Roche Ltd., The Scripps Research Institute, Rhône-Poulenc Rorer, University of Oslo, Meiji Seika Kaisha Ltd.] 2
- [Syntex Discovery Research, Vernalis Research, F. Hoffmann-La Roche Ltd., The Scripps Research Institute, Rhône-Poulenc Rorer, University of Oslo, Meiji Seika Kaisha Ltd.] 2
- [Syntex Discovery Research, Vernalis Research, F. Hoffmann-La Roche Ltd., The Scripps Research Institute, Rhône-Poulenc Rorer, University of Oslo, Meiji Seika Kaisha Ltd.] 2
- [Syntex Discovery Research, Vernalis Research, F. Hoffmann-La Roche Ltd., The Scripps Research Institute, Rhône-Poulenc Rorer, University of Oslo, Meiji Seika Kaisha Ltd.] 2
- [Mayo Foundation for Medical Education and Research and Mayo Clinic, Universit£ di Catania, Stanford University, State University of Groningen, Uppsala University, Merck Sharp and Dohme Research Laboratories, Janssen Research Foundation, Medical University of Lublin, Universit£ de Lausanne, Universita degli Studi di Bari, CNRS, Merck Sharp& Dohme Research Laboratories, University of Canterbury, Universit£ degli Studi di Bari A. Moro, INSERM U.288, Glaxo Group Research Ltd.] 1
- [Mayo Foundation for Medical Education and Research and Mayo Clinic, Universit£ di Catania, Stanford University, State University of Groningen, Uppsala University, Merck Sharp and Dohme Research Laboratories, Janssen Research Foundation, Medical University of Lublin, Universit£ de Lausanne, Universita degli Studi di Bari, CNRS, Merck Sharp& Dohme Research Laboratories, University of Canterbury, Universit£ degli Studi di Bari A. Moro, INSERM U.288, Glaxo Group Research Ltd.] 1
- [Mayo Foundation for Medical Education and Research and Mayo Clinic, Universit£ di Catania, Stanford University, State University of Groningen, Uppsala University, Merck Sharp and Dohme Research Laboratories, Janssen Research Foundation, Medical University of Lublin, Universit£ de Lausanne, Universita degli Studi di Bari, CNRS, Merck Sharp& Dohme Research Laboratories, University of Canterbury, Universit£ degli Studi di Bari A. Moro, INSERM U.288, Glaxo Group Research Ltd.] 1
- [Mayo Foundation for Medical Education and Research and Mayo Clinic, Universit£ di Catania, Stanford University, State University of Groningen, Uppsala University, Merck Sharp and Dohme Research Laboratories, Janssen Research Foundation, Medical University of Lublin, Universit£ de Lausanne, Universita degli Studi di Bari, CNRS, Merck Sharp& Dohme Research Laboratories, University of Canterbury, Universit£ degli Studi di Bari A. Moro, INSERM U.288, Glaxo Group Research Ltd.] 1
- [Mayo Foundation for Medical Education and Research and Mayo Clinic, Universit£ di Catania, Stanford University, State University of Groningen, Uppsala University, Merck Sharp and Dohme Research Laboratories, Janssen Research Foundation, Medical University of Lublin, Universit£ de Lausanne, Universita degli Studi di Bari, CNRS, Merck Sharp& Dohme Research Laboratories, University of Canterbury, Universit£ degli Studi di Bari A. Moro, INSERM U.288, Glaxo Group Research Ltd.] 1
- [Mayo Foundation for Medical Education and Research and Mayo Clinic, Universit£ di Catania, Stanford University, State University of Groningen, Uppsala University, Merck Sharp and Dohme Research Laboratories, Janssen Research Foundation, Medical University of Lublin, Universit£ de Lausanne, Universita degli Studi di Bari, CNRS, Merck Sharp& Dohme Research Laboratories, University of Canterbury, Universit£ degli Studi di Bari A. Moro, INSERM U.288, Glaxo Group Research Ltd.] 1
- [Mayo Foundation for Medical Education and Research and Mayo Clinic, Universit£ di Catania, Stanford University, State University of Groningen, Uppsala University, Merck Sharp and Dohme Research Laboratories, Janssen Research Foundation, Medical University of Lublin, Universit£ de Lausanne, Universita degli Studi di Bari, CNRS, Merck Sharp& Dohme Research Laboratories, University of Canterbury, Universit£ degli Studi di Bari A. Moro, INSERM U.288, Glaxo Group Research Ltd.] 1
- [Mayo Foundation for Medical Education and Research and Mayo Clinic, Universit£ di Catania, Stanford University, State University of Groningen, Uppsala University, Merck Sharp and Dohme Research Laboratories, Janssen Research Foundation, Medical University of Lublin, Universit£ de Lausanne, Universita degli Studi di Bari, CNRS, Merck Sharp& Dohme Research Laboratories, University of Canterbury, Universit£ degli Studi di Bari A. Moro, INSERM U.288, Glaxo Group Research Ltd.] 1
- [Mayo Foundation for Medical Education and Research and Mayo Clinic, Universit£ di Catania, Stanford University, State University of Groningen, Uppsala University, Merck Sharp and Dohme Research Laboratories, Janssen Research Foundation, Medical University of Lublin, Universit£ de Lausanne, Universita degli Studi di Bari, CNRS, Merck Sharp& Dohme Research Laboratories, University of Canterbury, Universit£ degli Studi di Bari A. Moro, INSERM U.288, Glaxo Group Research Ltd.] 1
- [Mayo Foundation for Medical Education and Research and Mayo Clinic, Universit£ di Catania, Stanford University, State University of Groningen, Uppsala University, Merck Sharp and Dohme Research Laboratories, Janssen Research Foundation, Medical University of Lublin, Universit£ de Lausanne, Universita degli Studi di Bari, CNRS, Merck Sharp& Dohme Research Laboratories, University of Canterbury, Universit£ degli Studi di Bari A. Moro, INSERM U.288, Glaxo Group Research Ltd.] 1
- [Mayo Foundation for Medical Education and Research and Mayo Clinic, Universit£ di Catania, Stanford University, State University of Groningen, Uppsala University, Merck Sharp and Dohme Research Laboratories, Janssen Research Foundation, Medical University of Lublin, Universit£ de Lausanne, Universita degli Studi di Bari, CNRS, Merck Sharp& Dohme Research Laboratories, University of Canterbury, Universit£ degli Studi di Bari A. Moro, INSERM U.288, Glaxo Group Research Ltd.] 1
- [Mayo Foundation for Medical Education and Research and Mayo Clinic, Universit£ di Catania, Stanford University, State University of Groningen, Uppsala University, Merck Sharp and Dohme Research Laboratories, Janssen Research Foundation, Medical University of Lublin, Universit£ de Lausanne, Universita degli Studi di Bari, CNRS, Merck Sharp& Dohme Research Laboratories, University of Canterbury, Universit£ degli Studi di Bari A. Moro, INSERM U.288, Glaxo Group Research Ltd.] 1
- [Mayo Foundation for Medical Education and Research and Mayo Clinic, Universit£ di Catania, Stanford University, State University of Groningen, Uppsala University, Merck Sharp and Dohme Research Laboratories, Janssen Research Foundation, Medical University of Lublin, Universit£ de Lausanne, Universita degli Studi di Bari, CNRS, Merck Sharp& Dohme Research Laboratories, University of Canterbury, Universit£ degli Studi di Bari A. Moro, INSERM U.288, Glaxo Group Research Ltd.] 1
- [Mayo Foundation for Medical Education and Research and Mayo Clinic, Universit£ di Catania, Stanford University, State University of Groningen, Uppsala University, Merck Sharp and Dohme Research Laboratories, Janssen Research Foundation, Medical University of Lublin, Universit£ de Lausanne, Universita degli Studi di Bari, CNRS, Merck Sharp& Dohme Research Laboratories, University of Canterbury, Universit£ degli Studi di Bari A. Moro, INSERM U.288, Glaxo Group Research Ltd.] 1
- [Mayo Foundation for Medical Education and Research and Mayo Clinic, Universit£ di Catania, Stanford University, State University of Groningen, Uppsala University, Merck Sharp and Dohme Research Laboratories, Janssen Research Foundation, Medical University of Lublin, Universit£ de Lausanne, Universita degli Studi di Bari, CNRS, Merck Sharp& Dohme Research Laboratories, University of Canterbury, Universit£ degli Studi di Bari A. Moro, INSERM U.288, Glaxo Group Research Ltd.] 1
- [Mayo Foundation for Medical Education and Research and Mayo Clinic, Universit£ di Catania, Stanford University, State University of Groningen, Uppsala University, Merck Sharp and Dohme Research Laboratories, Janssen Research Foundation, Medical University of Lublin, Universit£ de Lausanne, Universita degli Studi di Bari, CNRS, Merck Sharp& Dohme Research Laboratories, University of Canterbury, Universit£ degli Studi di Bari A. Moro, INSERM U.288, Glaxo Group Research Ltd.] 1
- ...
Affinity: 0.029 to 2.2E+4 nM▿
- Ki 124
- IC50 6
- Kd 4
- EC50 3
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 0
Catalog Cmpds: 1