dolutegravir [Ligand Id: 7365] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL1229211 (Dolutegravir, GSK 1349572, GSK-1349572, GSK1349572, S-349572, Tivicay) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase in Human immunodeficiency virus 1 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3471] [UniProtKB: Q7ZJM1] | ||||||||
| ChEMBL | Inhibition of HIV integrase strand transfer activity using 5'-biotin/3'-Cy5-labeled DNA substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by HTS assay | B | 7.17 | pIC50 | 68 | nM | IC50 | Eur J Med Chem (2018) 156: 652-665 [PMID:30031976] |
| ChEMBL | Inhibition of HIV1 integrase strand transfer activity using 5'-biotinylated oligonucleotide as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins | B | 7.17 | pIC50 | 68 | nM | IC50 | Eur J Med Chem (2019) 166: 390-399 [PMID:30739822] |
| ChEMBL | Inhibition of HIV1 recombinant integrase expressed in Escherichia coli using [32P]-labeled oligonucleotide as substrate after 60 mins by strand transfer activity assay | B | 7.17 | pIC50 | 68 | nM | IC50 | J Med Chem (2016) 59: 6136-6148 [PMID:27283261] |
| ChEMBL | Inhibition of HIV-1 integrase strand transfer activity using [3H]-DNA as substrate preincubated for 60 mins prior to substrate addition measured after 25 to 45 mins | B | 8.57 | pIC50 | 2.7 | nM | IC50 | J Med Chem (2013) 56: 5901-5916 [PMID:23845180] |
| ChEMBL | Inhibition of HIV integrase strand transfer activity | B | 9.3 | pIC50 | 0.5 | nM | IC50 | Bioorg Med Chem (2019) 27: 3836-3845 [PMID:31324562] |
| ChEMBL | Inhibition of HIV-1 NL4-3 integrase G140S/Q148R double mutant | B | 8.17 | pEC50 | 6.8 | nM | EC50 | Eur J Med Chem (2019) 181: 111566-111566 [PMID:31401538] |
| ChEMBL | Inhibition of HIV-1 NL4-3 integrase E92Q/N155H double mutant | B | 8.44 | pEC50 | 3.6 | nM | EC50 | Eur J Med Chem (2019) 181: 111566-111566 [PMID:31401538] |
| ChEMBL | Inhibition of wild type HIV-1 NL4-3 integrase | B | 8.82 | pEC50 | 1.5 | nM | EC50 | Eur J Med Chem (2019) 181: 111566-111566 [PMID:31401538] |
| ChEMBL | Inhibition of HIV-1 NL4-3 integrase T97A/Y143C double mutant | B | 8.82 | pEC50 | 1.5 | nM | EC50 | Eur J Med Chem (2019) 181: 111566-111566 [PMID:31401538] |
| Human immunodeficiency virus type 1 reverse transcriptase in Human immunodeficiency virus 1 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL247] [UniProtKB: Q72547] | ||||||||
| ChEMBL | Inhibition of HIV1 reverse transcriptase RNaseH activity using 3'-fluorescein/5'-Dabcyl labeled HTS-1 substrate | B | 5 | pIC50 | >10000 | nM | IC50 | Eur J Med Chem (2018) 156: 652-665 [PMID:30031976] |
| ChEMBL | Inhibition of HIV1 reverse transcriptase RNase H expressed in Escherichia coli JM109 using RNA/DNA duplex substrate HTS-1 | B | 5 | pIC50 | >10000 | nM | IC50 | Eur J Med Chem (2019) 166: 390-399 [PMID:30739822] |
| ChEMBL | Inhibition of RNase H activity of full length HIV1 reverse transcriptase using RNA-DNA duplex HTS-1 substrate | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2016) 59: 6136-6148 [PMID:27283261] |
| Human immunodeficiency virus type 2 integrase in Human immunodeficiency virus 2 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3463] [UniProtKB: P89582] | ||||||||
| ChEMBL | Inhibition of wild type HIV-2 ROD9 integrase | B | 8.64 | pEC50 | 2.3 | nM | EC50 | Eur J Med Chem (2019) 181: 111566-111566 [PMID:31401538] |
| Sigma-1 receptor in Guinea pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4153] [UniProtKB: Q60492] | ||||||||
| ChEMBL | Displacement of (+)-[3H]pentazocine from guinea pig brain cortex sigma1 receptor by scintillation analyzer | B | 7.15 | pKi | 71 | nM | Ki | Eur J Med Chem (2015) 90: 797-808 [PMID:25528334] |
| σ2/Sigma intracellular receptor 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4105907] [GtoPdb: 2553] [UniProtKB: Q5BJF2] | ||||||||
| ChEMBL | Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor (unknown origin) incubated for 1 hr in presence of (+)SKF10047 by liquid scintillation counting method | B | 7.74 | pKi | 18 | nM | Ki | ACS Med Chem Lett (2020) 11: 889-894 [PMID:32435401] |
| σ2/Sigma intracellular receptor 2 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4105864] [GtoPdb: 2553] [UniProtKB: Q5U3Y7] | ||||||||
| ChEMBL | Displacement of [3H]DTG from sigma2 receptor in rat liver membranes after 60 mins by liquid scintillation counting method | B | 7.49 | pKi | 32 | nM | Ki | J Med Chem (2018) 61: 6937-6943 [PMID:29969030] |
| ChEMBL | Displacement of [3H]DTG from sigma 2 receptor in Wistar Han rat liver membranes measured after 120 mins by scintillation counting method | B | 7.53 | pKi | 29.5 | nM | Ki | Eur J Med Chem (2022) 228: 114038-114038 [PMID:34902734] |
| sigma non-opioid intracellular receptor 1/Sigma opioid receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3602] [GtoPdb: 2552] [UniProtKB: Q9R0C9] | ||||||||
| ChEMBL | Displacement of (+)-[3H]pentazocine from sigma1 receptor in rat brain membranes after 60 mins by liquid scintillation counting method | B | 6.66 | pKi | 217 | nM | Ki | J Med Chem (2018) 61: 6937-6943 [PMID:29969030] |
| Vesicular acetylcholine transporter in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2125] [GtoPdb: 1013] [UniProtKB: Q62666] | ||||||||
| ChEMBL | Displacement of (-)-[3H]vesamicol from rat VAChT expressed in rat PC12 cell membranes after 60 mins by liquid scintillation counting method | B | 5.34 | pKi | 4523 | nM | Ki | J Med Chem (2018) 61: 6937-6943 [PMID:29969030] |
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]
