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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 |
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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-1 integrase Q148K mutant | B | 9.17 | pIC50 | 0.68 | nM | IC50 | Eur J Med Chem (2021) 225: 113787-113787 [PMID:34425310] |
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 Dunkin-Hartley guinea pig brain cortex Sigma 1 receptor incubated for 150 mins by liquid scintillation counting analysis | B | 6.91 | pKi | 124 | nM | Ki | Eur J Med Chem (2022) 230: 114091-114091 [PMID:35016113] |
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] |
ChEMBL | Displacement of [3H]-DTG from Sprague-Dawley rat liver Sigma 2 receptor incubated for 120 mins in presence of [3H]-(+)-pentazocine by liquid scintillation counting analysis | B | 7.74 | pKi | 18 | nM | Ki | Eur J Med Chem (2022) 230: 114091-114091 [PMID:35016113] |
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 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]