BDBM85330 CAS_68647::NSC_68647::ONDANSETRON::Ondansetron hydrochloride
SMILES: Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C
InChI Key: InChIKey=FELGMEQIXOGIFQ-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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Solute carrier family 22 member 1 (Homo sapiens (Human)) | BDBM85330 (CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...) | Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 2.04E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy | J Med Chem 51: 5932-42 (2008) Article DOI: 10.1021/jm8003152 BindingDB Entry DOI: 10.7270/Q23779MD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM85330 (CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 813 | n/a | n/a | n/a | n/a | n/a | n/a |
Reverse proteomics research institute Curated by ChEMBL | Assay Description Inhibitory concentration against potassium channel HERG | Bioorg Med Chem Lett 15: 2886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.03.080 BindingDB Entry DOI: 10.7270/Q29S1S7C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Rattus norvegicus (rat)) | BDBM85330 (CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S Curated by ChEMBL | Assay Description Inhibition of SERT-mediated [3H]5HT uptake in rat synaptosomes by scintillation counting | J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 3A (RAT) | BDBM85330 (CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S Curated by ChEMBL | Assay Description Binding affinity to rat 5HT3A receptor | J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM85330 (CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 813 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Inc Curated by ChEMBL | Assay Description Inhibition of human ERG expressed in CHO cells by whole cell patch clamp technique | Bioorg Med Chem 16: 6252-60 (2008) Article DOI: 10.1016/j.bmc.2008.04.028 BindingDB Entry DOI: 10.7270/Q25D8T25 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 3A (GUINEA PIG) | BDBM85330 (CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...) | PDB UniProtKB/SwissProt GoogleScholar | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | 126 | n/a | n/a | n/a | n/a | n/a |
Birla Institute of Technology Curated by ChEMBL | Assay Description Antagonist activity at 5HT3 receptor in guinea pig ileum longitudinal muscle myenteric plexus assessed as inhibition of 2-methyl-5-HT-induced contrac... | Bioorg Med Chem Lett 20: 6773-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.128 BindingDB Entry DOI: 10.7270/Q2WS8VHQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 3A/3B (Mus musculus (house mouse)) | BDBM85330 (CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a |
Merrell Dow Research Institute Curated by ChEMBL | Assay Description Potency at neuronal 5-hydroxytryptamine 3 receptor in the rabbit heart | J Med Chem 33: 1594-600 (1990) Article DOI: 10.1021/jm00168a011 BindingDB Entry DOI: 10.7270/Q25Q4X94 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT) | BDBM85330 (CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...) | PDB Reactome pathway UniProtKB/SwissProt GoogleScholar | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Displacement of [3H]-Q-ICS 205-930 binding to 5-hydroxytryptamine 3 receptor recognition sites in rat brain membranes. | J Med Chem 34: 140-51 (1991) Article DOI: 10.1021/jm00105a021 BindingDB Entry DOI: 10.7270/Q2DV1MD5 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Homo sapiens (Human)) | BDBM85330 (CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...) | PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida Curated by ChEMBL | Assay Description Antagonism of ACh-evoked responses at human Nicotinic acetylcholine receptor alpha3-beta4 expressed in xenopus oocytes | Bioorg Med Chem Lett 14: 1849-53 (2004) Article DOI: 10.1016/j.bmcl.2003.09.104 BindingDB Entry DOI: 10.7270/Q2PK0GQW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human)) | BDBM85330 (CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 6.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida Curated by ChEMBL | Assay Description Antagonism of ACh-evoked responses at human Nicotinic acetylcholine receptor alpha3-beta4 expressed in xenopus oocytes | Bioorg Med Chem Lett 14: 1849-53 (2004) Article DOI: 10.1016/j.bmcl.2003.09.104 BindingDB Entry DOI: 10.7270/Q2PK0GQW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 3A/3B (Mus musculus (house mouse)) | BDBM85330 (CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | PDB Article | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Antagonistic activity against Serotonin 5-hydroxytryptamine 3 receptor of isolated guinea pig ileum (GPI) | Bioorg Med Chem Lett 2: 461-466 (1992) Article DOI: 10.1016/S0960-894X(00)80170-5 BindingDB Entry DOI: 10.7270/Q2H41SMM | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM85330 (CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...) | PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >1.35E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t... | Toxicol Sci 118: 485-500 (2010) Article DOI: 10.1093/toxsci/kfq269 BindingDB Entry DOI: 10.7270/Q26Q20JN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM85330 (CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...) | PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ... | Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ATP-binding cassette sub-family C member 2 (Homo sapiens (Human)) | BDBM85330 (CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...) | Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and... | Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ATP-binding cassette sub-family C member 4 (Homo sapiens (Human)) | BDBM85330 (CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and... | Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ATP-binding cassette sub-family C member 3 (Homo sapiens (Human)) | BDBM85330 (CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ... | Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair |
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