palonosetron [Ligand Id: 7486] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL1189679 (Aurothioglucose, NSC-743769, (-)-palonosetron, Palonosetron, Palonosetron, (3as, 3s)-) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| Kv11.1/HERG in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809] | ||||||||
| ChEMBL | Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) K1 cells stably expressing hERG measured using IonWorks Quattro automated patch clamp platform | F | 5.4 | pIC50 | 3981.07 | nM | IC50 | J Pharmacol Toxicol Methods (2014) 70: 246-254 [PMID:25087753] |
| ChEMBL | Inhibition of rapid delayed inward rectifying potassium current (IKr) measured using manual patch clamp assay | F | 5.7 | pIC50 | 1995.26 | nM | IC50 | J Pharmacol Toxicol Methods (2014) 70: 246-254 [PMID:25087753] |
| 5-HT3B/5-HT3A/Serotonin 3 (5-HT3) receptor in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2111332] [GtoPdb: 374, 373] [UniProtKB: O95264, P46098] | ||||||||
| ChEMBL | Binding affinity to human wild type 5-HT3A/5-HT3B receptor expressed in HEK293 cells after 24 hrs by liquid scintillation counting analysis | B | 9.74 | pKd | 0.18 | nM | Kd | Bioorg Med Chem (2013) 21: 7523-7528 [PMID:24128813] |
| ChEMBL | Antagonist activity at human wild type 5-HT3A/5-HT3B receptor expressed in HEK293 cells assessed as inhibition of 5-HT-induced response after 45 mins by FLIPR assay | B | 9.06 | pIC50 | 0.88 | nM | IC50 | Bioorg Med Chem (2013) 21: 7523-7528 [PMID:24128813] |
| 5-HT3A/Serotonin 3a (5-HT3a) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1899] [GtoPdb: 373] [UniProtKB: P46098] | ||||||||
| ChEMBL | Binding affinity to human 5-HT3A receptor Y73A mutant after 24 hrs by liquid scintillation counting analysis | B | 9.06 | pKd | 0.87 | nM | Kd | Bioorg Med Chem (2013) 21: 7523-7528 [PMID:24128813] |
| ChEMBL | Binding affinity to human 5-HT3A receptor F130A mutant after 24 hrs by liquid scintillation counting analysis | B | 9.17 | pKd | 0.67 | nM | Kd | Bioorg Med Chem (2013) 21: 7523-7528 [PMID:24128813] |
| ChEMBL | Binding affinity to human 5-HT3A receptor Y73S mutant after 24 hrs by liquid scintillation counting analysis | B | 9.21 | pKd | 0.61 | nM | Kd | Bioorg Med Chem (2013) 21: 7523-7528 [PMID:24128813] |
| ChEMBL | Binding affinity to human 5-HT3A receptor D165K mutant after 24 hrs by liquid scintillation counting analysis | B | 9.44 | pKd | 0.36 | nM | Kd | Bioorg Med Chem (2013) 21: 7523-7528 [PMID:24128813] |
| ChEMBL | Binding affinity to human wild type 5-HT3A receptor expressed in HEK293 cells after 24 hrs by liquid scintillation counting analysis | B | 9.49 | pKd | 0.32 | nM | Kd | Bioorg Med Chem (2013) 21: 7523-7528 [PMID:24128813] |
| ChEMBL | Binding affinity to human 5-HT3A receptor S163A mutant after 24 hrs by liquid scintillation counting analysis | B | 9.52 | pKd | 0.3 | nM | Kd | Bioorg Med Chem (2013) 21: 7523-7528 [PMID:24128813] |
| ChEMBL | Binding affinity to human 5-HT3A receptor D165A mutant after 24 hrs by liquid scintillation counting analysis | B | 9.52 | pKd | 0.3 | nM | Kd | Bioorg Med Chem (2013) 21: 7523-7528 [PMID:24128813] |
| ChEMBL | Binding affinity to human 5-HT3A receptor F130Y mutant after 24 hrs by liquid scintillation counting analysis | B | 9.59 | pKd | 0.26 | nM | Kd | Bioorg Med Chem (2013) 21: 7523-7528 [PMID:24128813] |
| ChEMBL | Binding affinity to human 5-HT3A receptor Y73F mutant after 24 hrs by liquid scintillation counting analysis | B | 9.6 | pKd | 0.25 | nM | Kd | Bioorg Med Chem (2013) 21: 7523-7528 [PMID:24128813] |
| ChEMBL | Binding affinity to human 5-HT3A receptor S163T mutant after 24 hrs by liquid scintillation counting analysis | B | 9.66 | pKd | 0.22 | nM | Kd | Bioorg Med Chem (2013) 21: 7523-7528 [PMID:24128813] |
| ChEMBL | Binding affinity to 5HT3A receptor | B | 10.5 | pKi | 0.03 | nM | Ki | Eur J Med Chem (2010) 45: 4746-4760 [PMID:20724042] |
| ChEMBL | Antagonist activity at human 5-HT3A receptor Y73A mutant assessed as inhibition of 5-HT-induced response after 45 mins by FLIPR assay | B | 7.88 | pIC50 | 13.1 | nM | IC50 | Bioorg Med Chem (2013) 21: 7523-7528 [PMID:24128813] |
| ChEMBL | Antagonist activity at human 5-HT3A receptor F130A mutant assessed as inhibition of 5-HT-induced response after 45 mins by FLIPR assay | B | 8.36 | pIC50 | 4.4 | nM | IC50 | Bioorg Med Chem (2013) 21: 7523-7528 [PMID:24128813] |
| ChEMBL | Antagonist activity at human 5-HT3A receptor Y73S mutant assessed as inhibition of 5-HT-induced response after 45 mins by FLIPR assay | B | 8.44 | pIC50 | 3.64 | nM | IC50 | Bioorg Med Chem (2013) 21: 7523-7528 [PMID:24128813] |
| ChEMBL | Antagonist activity at human 5-HT3 receptor expressed in CHO-K1 cells assessed as inhibition of 5-HT induced inward currents preincubated for 30 sec followed by 5HT addition for 2 sec at -60 mV holding potential by ion flux automated patch clamp assay | B | 8.77 | pIC50 | 1.7 | nM | IC50 | J Med Chem (2021) 64: 13279-13298 [PMID:34467765] |
| ChEMBL | Antagonist activity at human 5-HT3A receptor S163A mutant assessed as inhibition of 5-HT-induced response after 45 mins by FLIPR assay | B | 8.8 | pIC50 | 1.57 | nM | IC50 | Bioorg Med Chem (2013) 21: 7523-7528 [PMID:24128813] |
| ChEMBL | Antagonist activity at human 5-HT3A receptor D165K mutant assessed as inhibition of 5-HT-induced response after 45 mins by FLIPR assay | B | 8.89 | pIC50 | 1.3 | nM | IC50 | Bioorg Med Chem (2013) 21: 7523-7528 [PMID:24128813] |
| ChEMBL | Antagonist activity at human 5-HT3A receptor Y73F mutant assessed as inhibition of 5-HT-induced response after 45 mins by FLIPR assay | B | 8.91 | pIC50 | 1.23 | nM | IC50 | Bioorg Med Chem (2013) 21: 7523-7528 [PMID:24128813] |
| ChEMBL | Antagonist activity at human 5-HT3A receptor S163T mutant assessed as inhibition of 5-HT-induced response after 45 mins by FLIPR assay | B | 8.99 | pIC50 | 1.02 | nM | IC50 | Bioorg Med Chem (2013) 21: 7523-7528 [PMID:24128813] |
| ChEMBL | Antagonist activity at human wild type 5-HT3A receptor expressed in HEK293 cells assessed as inhibition of 5-HT-induced response after 45 mins by FLIPR assay | B | 9.08 | pIC50 | 0.83 | nM | IC50 | Bioorg Med Chem (2013) 21: 7523-7528 [PMID:24128813] |
| 5-HT3B/Serotonin 3b (5-HT3b) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3895] [GtoPdb: 374] [UniProtKB: O95264] | ||||||||
| ChEMBL | Binding affinity to human 5-HT3B receptor F130A mutant after 24 hrs by liquid scintillation counting analysis | B | 9.32 | pKd | 0.48 | nM | Kd | Bioorg Med Chem (2013) 21: 7523-7528 [PMID:24128813] |
| ChEMBL | Binding affinity to human 5-HT3B receptor W90C mutant after 24 hrs by liquid scintillation counting analysis | B | 9.47 | pKd | 0.34 | nM | Kd | Bioorg Med Chem (2013) 21: 7523-7528 [PMID:24128813] |
| ChEMBL | Binding affinity to human 5-HT3B receptor I183A mutant after 24 hrs by liquid scintillation counting analysis | B | 9.64 | pKd | 0.23 | nM | Kd | Bioorg Med Chem (2013) 21: 7523-7528 [PMID:24128813] |
| ChEMBL | Binding affinity to human 5-HT3B receptor Y143A mutant after 24 hrs by liquid scintillation counting analysis | B | 9.74 | pKd | 0.18 | nM | Kd | Bioorg Med Chem (2013) 21: 7523-7528 [PMID:24128813] |
| ChEMBL | Binding affinity to human 5-HT3B receptor H73A mutant after 24 hrs by liquid scintillation counting analysis | B | 9.85 | pKd | 0.14 | nM | Kd | Bioorg Med Chem (2013) 21: 7523-7528 [PMID:24128813] |
| Nav1.5/Sodium channel protein type V alpha subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1980] [GtoPdb: 582] [UniProtKB: Q14524] | ||||||||
| ChEMBL | Inhibition of fast sodium current (INa) in Chinese Hamster Ovary (CHO) K1 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform | F | 4.7 | pIC50 | 19952.62 | nM | IC50 | J Pharmacol Toxicol Methods (2014) 70: 246-254 [PMID:25087753] |
| Kv7.1/Voltage-gated potassium channel, IKs; KCNQ1(Kv7.1)/KCNE1(MinK) in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2221347] [GtoPdb: 560] [UniProtKB: P15382, P51787] | ||||||||
| ChEMBL | Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells expressing hKvLQT1/hminK measured using IonWorks Quattro automated patch clamp platform | F | 4.3 | pIC50 | 50118.72 | nM | IC50 | J Pharmacol Toxicol Methods (2014) 70: 246-254 [PMID:25087753] |
| 5-HT3A in Human [GtoPdb: 379] | ||||||||
| GtoPdb | - | - | 10.49 | pKi | 0.03 | nM | Ki | Eur J Med Chem (2010) 45: 4746-60 [PMID:20724042] |
ChEMBL data shown on this page come from version 33:
Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]
