tolvaptan [Ligand Id: 2226] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL344159 (Jinarc, Jynarque, OPC-41061, OPC-41061(TOLVAPTAN), Samsca, Tolvaptan) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| apelin receptor/Apelin receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1628481] [GtoPdb: 36] [UniProtKB: P35414] | ||||||||
| ChEMBL | GPCR PRESTO-Tango dose-response in antagonist mode with target: APLNR | F | 5 | pIC50 | >10000 | nM | IC50 | EUbOPEN Chemogenomics Library - GPCR Dose-Respose |
| β2-adrenoceptor/Beta-2 adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL210] [GtoPdb: 29] [UniProtKB: P07550] | ||||||||
| ChEMBL | GPCR PRESTO-Tango dose-response in antagonist mode with target: ADRB2 | F | 5.47 | pEC50 | 3400 | nM | EC50 | EUbOPEN Chemogenomics Library - GPCR Dose-Respose |
| GLP-1 receptor/Glucagon-like peptide 1 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1784] [GtoPdb: 249] [UniProtKB: P43220] | ||||||||
| ChEMBL | GPCR PRESTO-Tango dose-response in antagonist mode with target: GLP1R | F | 5.33 | pEC50 | 4643.58 | nM | EC50 | EUbOPEN Chemogenomics Library - GPCR Dose-Respose |
| GPR119/Glucose-dependent insulinotropic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5652] [GtoPdb: 126] [UniProtKB: Q8TDV5] | ||||||||
| ChEMBL | GPCR PRESTO-Tango dose-response in antagonist mode with target: GPR119 | F | 5.4 | pEC50 | 4018.74 | nM | EC50 | EUbOPEN Chemogenomics Library - GPCR Dose-Respose |
| FFA4 receptor/G-protein coupled receptor 120 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5339] [GtoPdb: 127] [UniProtKB: Q5NUL3] | ||||||||
| ChEMBL | GPCR PRESTO-Tango dose-response in antagonist mode with target: FFAR4 | F | 5.29 | pEC50 | 5108.13 | nM | EC50 | EUbOPEN Chemogenomics Library - GPCR Dose-Respose |
| H1 receptor/Histamine H1 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL231] [GtoPdb: 262] [UniProtKB: P35367] | ||||||||
| ChEMBL | PDSP Secondary Binding target: HRH1 - Compounds are tested at 10 uM concentration, plate are incubated at room temperature in the dark for 90 minutes. Reaction are stopped by vacuum filtration onto 0.3% polyethyleneimine soaked filter mats using Filtermate harvester. Scintillation cocktail is then melted onto microwave-dried filters on a hot plate and the radio activity is counted in Microbia counter. Compounds showing a minimum of 50% inhibition at 10 uM concentration are carried forward in this secondary binding assay to determine equilibrium binding affinity. | B | 5.17 | pKi | 6687.29 | nM | Ki | EUbOPEN Chemogenomics Library - PDSP Secondary Binding |
| μ receptor/Mu opioid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL233] [GtoPdb: 319] [UniProtKB: P35372] | ||||||||
| ChEMBL | PDSP Secondary Binding target: OPRM1 - Compounds are tested at 10 uM concentration, plate are incubated at room temperature in the dark for 90 minutes. Reaction are stopped by vacuum filtration onto 0.3% polyethyleneimine soaked filter mats using Filtermate harvester. Scintillation cocktail is then melted onto microwave-dried filters on a hot plate and the radio activity is counted in Microbia counter. Compounds showing a minimum of 50% inhibition at 10 uM concentration are carried forward in this secondary binding assay to determine equilibrium binding affinity. | B | 6.39 | pKi | 410.01 | nM | Ki | EUbOPEN Chemogenomics Library - PDSP Secondary Binding |
| GPR65/Psychosine receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3714081] [GtoPdb: 113] [UniProtKB: Q8IYL9] | ||||||||
| ChEMBL | GPCR PRESTO-Tango dose-response in antagonist mode with target: GPR65 | F | 5 | pIC50 | >10000 | nM | IC50 | EUbOPEN Chemogenomics Library - GPCR Dose-Respose |
| 5-HT2C receptor/Serotonin 2c (5-HT2c) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL225] [GtoPdb: 8] [UniProtKB: P28335] | ||||||||
| ChEMBL | PDSP Secondary Binding target: HTR2C - Compounds are tested at 10 uM concentration, plate are incubated at room temperature in the dark for 90 minutes. Reaction are stopped by vacuum filtration onto 0.3% polyethyleneimine soaked filter mats using Filtermate harvester. Scintillation cocktail is then melted onto microwave-dried filters on a hot plate and the radio activity is counted in Microbia counter. Compounds showing a minimum of 50% inhibition at 10 uM concentration are carried forward in this secondary binding assay to determine equilibrium binding affinity. | B | 5.31 | pKi | 4856.23 | nM | Ki | EUbOPEN Chemogenomics Library - PDSP Secondary Binding |
| σ2/Sigma intracellular receptor 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4105907] [GtoPdb: 2553] [UniProtKB: Q5BJF2] | ||||||||
| ChEMBL | PDSP Secondary Binding target: TMEM97 - Compounds are tested at 10 uM concentration, plate are incubated at room temperature in the dark for 90 minutes. Reaction are stopped by vacuum filtration onto 0.3% polyethyleneimine soaked filter mats using Filtermate harvester. Scintillation cocktail is then melted onto microwave-dried filters on a hot plate and the radio activity is counted in Microbia counter. Compounds showing a minimum of 50% inhibition at 10 uM concentration are carried forward in this secondary binding assay to determine equilibrium binding affinity. | B | 5.99 | pKi | 1031.22 | nM | Ki | EUbOPEN Chemogenomics Library - PDSP Secondary Binding |
| V1A receptor/Vasopressin V1a receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1889] [GtoPdb: 366] [UniProtKB: P37288] | ||||||||
| ChEMBL | Displacement of [3H]-vasopressin from human V1A receptor expressed in CHO cells membrane by microbeta scintillation counter analysis | B | 6.53 | pKi | 296 | nM | Ki | J Med Chem (2022) 65: 9295-9311 [PMID:35579344] |
| ChEMBL | Displacement of [3H]-arginine-vasopressin from human V1A receptor expressed in human 1321N1 cell membranes incubated for 60 mins by radioligand binding assay | B | 7.49 | pKi | 32 | nM | Ki | J Med Chem (2021) 64: 10445-10468 [PMID:34255509] |
| GtoPdb | - | - | 7.9 | pKi | - | - | - | J Pharmacol Exp Ther (1998) 287: 860-7 [PMID:9864265] |
| ChEMBL | Inhibition of human V1A receptor expressed in human 1321N1 cells assessed as calcium mobilization by fluorescent plate reader | F | 6.33 | pIC50 | 470 | nM | IC50 | J Med Chem (2021) 64: 10445-10468 [PMID:34255509] |
| V1A receptor in Rat [GtoPdb: 366] [UniProtKB: P30560] | ||||||||
| GtoPdb | - | - | 6.5 | pKi | - | - | - | J Pharmacol Exp Ther (1998) 287: 860-7 [PMID:9864265] |
| V2 receptor/Vasopressin V2 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1790] [GtoPdb: 368] [UniProtKB: P30518] | ||||||||
| ChEMBL | Displacement of conivaptan-red from SNAP-tagged human V2 receptor expressed in HEK293 cells measured after 1 hr by HTRF assay | B | 8.62 | pKi | 2.4 | nM | Ki | J Med Chem (2022) 65: 9295-9311 [PMID:35579344] |
| ChEMBL | Displacement of conivaptan-red from SNAP-tagged V2 receptor (unknown origin) expressed in HEK293 cells assessed as inhibition constant measured after 2 hrs by HTRF assay | B | 8.77 | pKi | 1.7 | nM | Ki | J Med Chem (2022) 65: 7717-7728 [PMID:35363466] |
| ChEMBL | Displacement of [3H]-arginine-vasopressin from human V2 receptor expressed in human 1321N1 cell membranes incubated for 60 mins by radioligand binding assay | B | 9 | pKi | 1 | nM | Ki | J Med Chem (2021) 64: 10445-10468 [PMID:34255509] |
| ChEMBL | Concentration which inhibit [3H]AVP binding to human Vasopressin V2 receptor coded HeLa cells by 50% | B | 9.37 | pKi | 0.43 | nM | Ki | J Med Chem (2000) 43: 4388-4397 [PMID:11087564] |
| GtoPdb | - | - | 9.37 | pKi | 0.43 | nM | Ki | J Pharmacol Exp Ther (1998) 287: 860-7 [PMID:9864265] |
| ChEMBL | Antagonist activity at human V2 receptor expressed in CHO cells assessed as reduction in vasopressin induced cAMP production preincubated for 30 mins followed by vasopressin stimulation and measured after 30 mins | F | 7.95 | pIC50 | 11.22 | nM | IC50 | J Med Chem (2022) 65: 7717-7728 [PMID:35363466] |
| ChEMBL | GPCR PRESTO-Tango dose-response in antagonist mode with target: AVPR2 | F | 8.35 | pIC50 | 4.5 | nM | IC50 | EUbOPEN Chemogenomics Library - GPCR Dose-Respose |
| V2 receptor in Rat [GtoPdb: 368] [UniProtKB: Q00788] | ||||||||
| GtoPdb | - | - | 8.9 | pKi | - | - | - | J Pharmacol Exp Ther (1998) 287: 860-7 [PMID:9864265] |
ChEMBL data shown on this page come from version 34:
Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
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]
