dolutegravir [Ligand Id: 7365] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL1229211 (Dolutegravir, GSK-1349572, S-349572, GSK1349572, GSK 1349572, Tivicay)
  • Human immunodeficiency virus type 1 reverse transcriptase in Human immunodeficiency virus 1 [ChEMBL: CHEMBL247] [UniProtKB: Q72547]
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  • Human immunodeficiency virus type 2 integrase in Human immunodeficiency virus 2 [ChEMBL: CHEMBL3463] [UniProtKB: P89582]
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  • sigma non-opioid intracellular receptor 1/Sigma opioid receptor in Rat [ChEMBL: CHEMBL3602] [GtoPdb: 2552] [UniProtKB: Q9R0C9]
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  • Vesicular acetylcholine transporter in Rat [ChEMBL: CHEMBL2125] [GtoPdb: 1013] [UniProtKB: Q62666]
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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 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]
Integrase in Human immunodeficiency virus 1 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2366505] [UniProtKB: Q76353]
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]
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 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]
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 28:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]