BindingDB BDBM85330 CAS_68647::NSC_68647::ONDANSETRON::Ondansetron hydrochloride

BDBM85330 CAS_68647::NSC_68647::ONDANSETRON::Ondansetron hydrochloride

SMILES Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C

InChI Key InChIKey=FELGMEQIXOGIFQ-UHFFFAOYSA-N

Data 76 KI 38 IC50 2 Kd

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 85330

5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL

BDBM85330(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)

Ki: 2.80nMAssay Description:Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by filter binding assayMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
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3D Structure (crystal)

5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL

BDBM85330(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)

Ki: 3.40nMAssay Description:Binding affinity to human HT3A receptorMore data for this Ligand-Target Pair

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3D Structure (crystal)

5-hydroxytryptamine receptor 3A(Mus musculus (house mouse))
Institut De Recherches Servier

Curated by PDSP K_i Database

BDBM85330(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)

Ki: 3.98nMMore data for this Ligand-Target Pair

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3D Structure (crystal)

5-hydroxytryptamine receptor 3A(RAT)
Syntex Discovery Research

Curated by PDSP K_i Database

BDBM85330(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)

Ki: 4nMMore data for this Ligand-Target Pair

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3D Structure (crystal)

5-hydroxytryptamine receptor 3A(GUINEA PIG)
Syntex Discovery Research

Curated by PDSP K_i Database

BDBM85330(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)

Ki: 9.62nMMore data for this Ligand-Target Pair

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5-hydroxytryptamine receptor 3A(Mus musculus (house mouse))
Institut De Recherches Servier

Curated by PDSP K_i Database

BDBM85330(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)

Ki: 12nMAssay Description:The binding affinity was measured for 5-hydroxytryptamine 3 receptor on NG 108-15 cell line of mouse neuroblastoma-glioma cells in presence of [3H]5 ...More data for this Ligand-Target Pair

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3D Structure (crystal)

5-hydroxytryptamine receptor 3A(Mus musculus (house mouse))
Institut De Recherches Servier

Curated by PDSP K_i Database

BDBM85330(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)

Ki: 15nMMore data for this Ligand-Target Pair

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3D Structure (crystal)

5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL

BDBM85330(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)

Ki: 16nMAssay Description:Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of [3H]2 in Neuroblastoma-Glioma NG-108-15 cellsMore data for this Ligand-Target Pair

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3D Structure (crystal)

5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL

BDBM85330(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)

Ki: 16nMAssay Description:In vitro binding affinity for the 5-hydroxytryptamine 3 receptor was determined with NG-108-15 mouse neuroblastoma-glioma cellsMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
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3D Structure (crystal)

5-hydroxytryptamine receptor 3A(GUINEA PIG)
Syntex Discovery Research

Curated by PDSP K_i Database

BDBM85330(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)

Ki: 6.38E+3nMMore data for this Ligand-Target Pair

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5-hydroxytryptamine receptor 3A(GUINEA PIG)
Syntex Discovery Research

Curated by PDSP K_i Database

BDBM85330(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)

Ki: >1.00E+4nMMore data for this Ligand-Target Pair

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5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL

BDBM85330(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)

IC50: 0.0900nMAssay Description:Antagonist activity at human 5HT3A receptor expressed in xenopus oocytes assessed as inhibition of 5HT-induced effect by electrophysiological methodMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
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3D Structure (crystal)

5-hydroxytryptamine receptor 3A(RAT)
Syntex Discovery Research

Curated by PDSP K_i Database

BDBM85330(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)

IC50: 0.160nMAssay Description:Binding affinity to rat 5HT3A receptorMore data for this Ligand-Target Pair

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3D Structure (crystal)

Filter my 116 hits

Targets 51▿
- 5-hydroxytryptamine receptor 3A/3B 27
- 5-hydroxytryptamine receptor 3A 13
- D(2) dopamine receptor 5
- Potassium voltage-gated channel subfamily H member 2 5
- Solute carrier family 22 member 1 3
- Multidrug and toxin extrusion protein 1 3
- Multidrug and toxin extrusion protein 2 3
- 5-hydroxytryptamine receptor 1A 3
- 5-hydroxytryptamine receptor 7 3
- Solute carrier family 22 member 2 2
- Neuronal acetylcholine receptor subunit alpha-7 2
- Neuronal acetylcholine receptor subunit alpha-4/beta-2 2
- 5-hydroxytryptamine receptor 2C 2
- 5-hydroxytryptamine receptor 2A 2
- D(1A) dopamine receptor 2
- 5-hydroxytryptamine receptor 4 2
- Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1S 2
- Bile salt export pump 2
- Sodium-dependent serotonin transporter 1
- Solute carrier family 22 member 3 1
- Glutamate receptor ionotropic, NMDA 2C 1
- Sigma non-opioid intracellular receptor 1 1
- Beta-1/Beta-2/Beta-3 adrenergic receptor 1
- Alpha-2A adrenergic receptor [16-465] 1
- Glycine receptor subunit alpha-4 1
- Nischarin 1
- Muscarinic acetylcholine receptor M3 1
- Muscarinic acetylcholine receptor M2 1
- Cholecystokinin receptor type A 1
- Muscarinic acetylcholine receptor M1 1
- 5-hydroxytryptamine receptor 1A/1B/1D/1F/2A/2B/2C/3A/3B/4/5A/5B/6/7 1
- Interleukin-6 receptor subunit alpha 1
- Gastrin/cholecystokinin type B receptor 1
- D(3) dopamine receptor 1
- Kappa-type opioid receptor 1
- Thyrotropin-releasing hormone receptor 1
- Histamine H1 receptor 1
- 5-hydroxytryptamine receptor 1B 1
- Delta-type opioid receptor 1
- 5-hydroxytryptamine receptor 1D 1
- Mu-type opioid receptor 1
- Cytochrome P450 3A4 1
- 5-hydroxytryptamine receptor 1A/1B/1D/1F 1
- 5-hydroxytryptamine receptor 5B 1
- Neuronal acetylcholine receptor subunit alpha-3/beta-4 1
- Histamine H3 receptor 1
- Leukotriene B4 receptor 1 1
- Serotonin 2 (5-HT2) receptor 1
- ATP-binding cassette sub-family C member 3 1
- ATP-binding cassette sub-family C member 4 1
- ATP-binding cassette sub-family C member 2 1
- ...
Publications 42▿
- J Med Chem 36: 3693-9 (1994) 35
- J Med Chem 56: 781-95 (2013) 7
- NIDA Res Monogr 178: 440-66 (1998) 6
- J Med Chem 54: 4548-58 (2011) 4
- J Pharmacol Exp Ther 267: 961-70 (1993) 4
- Toxicol Sci 136: 216-41 (2013) 4
- Eur J Med Chem 232: (2022) 4
- J Med Chem 54: 3206-21 (2011) 4
- Bioorg Med Chem Lett 14: 1849-53 (2004) 3
- Bioorg Med Chem Lett 20: 6538-41 (2010) 3
- J Med Chem 33: 1594-600 (1990) 3
- J Med Chem 36: 2745-50 (1993) 2
- Bioorg Med Chem Lett 11: 319-21 (2001) 2
- J Med Chem 46: 702-15 (2003) 2
- J Med Chem 33: 3176-81 (1991) 2
- Bioorg Med Chem Lett 8: 619-24 (1999) 2
- J Med Chem 42: 5020-8 (2000) 2
- J Biol Chem 268: 18200-4 (1993) 2
- J Med Chem 38: 2692-704 (1995) 1
- Bioorg Med Chem Lett 2: 461-466 (1992) 1
- J Med Chem 37: 1320-5 (1994) 1
- J Med Chem 35: 895-903 (1992) 1
- J Med Chem 42: 4362-79 (1999) 1
- Synapse 35: 79-95 (2000) 1
- Eur J Med Chem 46: 618-30 (2011) 1
- Bioorg Med Chem Lett 15: 2886-90 (2005) 1
- J Med Chem 34: 140-51 (1991) 1
- J Med Chem 36: 617-26 (1993) 1
- J Med Chem 35: 4893-902 (1992) 1
- J Med Chem 33: 3020-3 (1990) 1
- J Med Chem 33: 13-6 (1990) 1
- J Med Chem 40: 3369-80 (1997) 1
- Bioorg Med Chem Lett 2: 245-248 (1992) 1
- J Med Chem 41: 311-7 (1998) 1
- J Med Chem 35: 1019-31 (1992) 1
- Bioorg Med Chem 16: 6252-60 (2008) 1
- Toxicol Sci 118: 485-500 (2010) 1
- J Med Chem 51: 5932-42 (2008) 1
- J Med Chem 36: 2645-57 (1993) 1
- J Med Chem 33: 2715-20 (1990) 1
- Bioorg Med Chem Lett 13: 2773-5 (2003) 1
- J Med Chem 33: 2721-5 (1990) 1
Institutions 33▿
- Solvay Duphar 35
- University Of California 7
- Sri International 6
- Amgen 5
- Syntex Discovery Research 4
- Czech Republic 4
- Pfizer 4
- University Of California San Francisco 4
- Dainippon Pharmaceutical 4
- H. Lundbeck 4
- University Of Florida 3
- Merrell Dow Research Institute 3
- Amri 3
- Universidad De Navarra 2
- National Institute of Neurological Disorders and Stroke 2
- TBA 2
- Eli Lilly 2
- Merck Sharp And Dohme Research Laboratories 2
- Astrazeneca 2
- Kyowa Hakko Kogyo 2
- Universit£ 2
- Universidad Complutense 2
- Tcg Lifesciences 1
- Universita' Degli Studi Di Salerno 1
- Uppsala University 1
- Syntex Research 1
- F. Hoffmann-La Roche 1
- Pharmacia & Upjohn 1
- Institut De Recherches Servier 1
- Gedeon Richter 1
- Rh£Ne-Poulenc Rorer Central Research 1
- Reverse Proteomics Research Institute 1
- Cifa Universidad De Navarra 1
Affinity: 0.090 to 3.0E+5 nM▿
- Ki 76
- IC50 38
- Kd 2
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 0
Catalog Cmpds: 1