BindingDB

null

SMILES Cc1nnc(o1)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C

InChI Key InChIKey=CZFFBEXEKNGXKS-UHFFFAOYSA-N

PDB links: 6 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 25351

Integrase(Human immunodeficiency virus 1)
Oregon State University

Curated by ChEMBL

BDBM25351(N-[2-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydr...)copy SMILEScopy InChI

IC50: 1.10E+3nMAssay Description:Inhibition of recombinant HIV1 integrase strand transfer activity using biotin-labeled double-stranded HIV1 LTR U5 donor DNA substrate pretreated for...More data for this Ligand-Target Pair

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Details Article
BindingDB Entry DOI: 10.7270/Q24M97W1PubMed

Targets 11 ▿
- Integrase 53
- Reverse transcriptase/RNaseH 4
- Potassium voltage-gated channel subfamily H member 2 3
- UDP-glucuronosyltransferase 1A1 2
- Sodium channel protein type 5 subunit alpha 2
- Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S 1
- Potassium voltage-gated channel subfamily E/KQT member 1 1
- Reverse transcriptase 1
- C-C chemokine receptor type 1 1
- Gag-Pol polyprotein 1
- Potassium voltage-gated channel subfamily D member 3 1
Publications 37 ▿
- J Pharmacol Toxicol Methods 70: 246-54 (2014) 7
- Bioorg Med Chem Lett 21: 2986-90 (2011) 5
- J Med Chem 51: 7717-30 (2008) 3
- ACS Med Chem Lett 4: 606-11 (2013) 3
- J Med Chem 58: 4610-23 (2015) 3
- Drug Metab Dispos 39: 322-9 (2011) 2
- Eur J Med Chem 166: 390-399 (2019) 2
- J Med Chem 57: 3223-34 (2014) 2
- Eur J Med Chem 141: 149-161 (2017) 2
- Eur J Med Chem 182: (2019) 2
- Bioorg Med Chem 27: 3836-3845 (2019) 2
- Bioorg Med Chem Lett 19: 3615-8 (2009) 2
- Eur J Med Chem 156: 652-665 (2018) 2
- Antimicrob Agents Chemother 52: 2861-9 (2008) 2
- Antimicrob Agents Chemother 52: 901-8 (2008) 2
- Bioorg Med Chem Lett 18: 2891-5 (2008) 2
- Bioorg Med Chem 18: 5510-8 (2010) 2
- Bioorg Med Chem Lett 25: 3013-6 (2015) 2
- J Med Chem 59: 6136-48 (2016) 2
- ACS Med Chem Lett 6: 1065-70 (2015) 2
- Bioorg Med Chem 27: 3595-3604 (2019) 1
- J Med Chem 57: 4640-60 (2014) 1
- J Med Chem 55: 9363-92 (2012) 1
- Eur J Med Chem 155: 714-724 (2018) 1
- Eur J Med Chem 46: 756-64 (2011) 1
- J Med Chem 51: 5843-55 (2008) 1
- Antimicrob Agents Chemother 53: 1194-203 (2009) 1
- Bioorg Med Chem Lett 24: 302-7 (2014) 1
- J Med Chem 56: 8588-98 (2013) 1
- Sci Rep 3: (2013) 1
- Bioorg Med Chem 20: 177-82 (2012) 1
- Bioorg Med Chem Lett 19: 4617-21 (2009) 1
- Bioorg Med Chem 19: 5000-5 (2011) 1
- ACS Med Chem Lett 11: 766-772 (2020) 1
- J Med Chem 58: 1915-28 (2015) 1
- Bioorg Med Chem 23: 735-41 (2015) 1
- Eur J Med Chem 104: 127-38 (2015) 1
Institutions 27 ▿
- [University of Minnesota] 10
- [University of Oxford] 7
- [National Cancer Institute-Frederick] 5
- [Universit£ di Messina, Universit£ degli Studi di Siena, "Sapienza" Universit£ di Roma, Universit£ Lille Nord de France] 4
- [Universit£ di Messina, Universit£ degli Studi di Siena, "Sapienza" Universit£ di Roma, Universit£ Lille Nord de France] 4
- [Universit£ di Messina, Universit£ degli Studi di Siena, "Sapienza" Universit£ di Roma, Universit£ Lille Nord de France] 4
- [Universit£ di Messina, Universit£ degli Studi di Siena, "Sapienza" Universit£ di Roma, Universit£ Lille Nord de France] 4
- [Universit£ de Lille 1, Shandong University] 3
- [Universit£ de Lille 1, Shandong University] 3
- [Beijing University of Technology, Sapienza" Universit£ di Roma, GlaxoSmithKline, University of Delhi, University of Cagliari, Katholieke Universiteit Leuven] 2
- [Beijing University of Technology, Sapienza" Universit£ di Roma, GlaxoSmithKline, University of Delhi, University of Cagliari, Katholieke Universiteit Leuven] 2
- [Beijing University of Technology, Sapienza" Universit£ di Roma, GlaxoSmithKline, University of Delhi, University of Cagliari, Katholieke Universiteit Leuven] 2
- [Beijing University of Technology, Sapienza" Universit£ di Roma, GlaxoSmithKline, University of Delhi, University of Cagliari, Katholieke Universiteit Leuven] 2
- [Beijing University of Technology, Sapienza" Universit£ di Roma, GlaxoSmithKline, University of Delhi, University of Cagliari, Katholieke Universiteit Leuven] 2
- [Beijing University of Technology, Sapienza" Universit£ di Roma, GlaxoSmithKline, University of Delhi, University of Cagliari, Katholieke Universiteit Leuven] 2
- [Mumbai University, Merck Research Laboratories, University of Silesia, Univ. Orl£ans et CNRS, IRBM S.p.A., National Heart and Lung Institute, Universit£ di Roma, Oregon State University, University of Messina, IRBM-Merck Research Laboratories Rome, Gilead Sciences, ChanTest Corporation] 1
- [Mumbai University, Merck Research Laboratories, University of Silesia, Univ. Orl£ans et CNRS, IRBM S.p.A., National Heart and Lung Institute, Universit£ di Roma, Oregon State University, University of Messina, IRBM-Merck Research Laboratories Rome, Gilead Sciences, ChanTest Corporation] 1
- [Mumbai University, Merck Research Laboratories, University of Silesia, Univ. Orl£ans et CNRS, IRBM S.p.A., National Heart and Lung Institute, Universit£ di Roma, Oregon State University, University of Messina, IRBM-Merck Research Laboratories Rome, Gilead Sciences, ChanTest Corporation] 1
- [Mumbai University, Merck Research Laboratories, University of Silesia, Univ. Orl£ans et CNRS, IRBM S.p.A., National Heart and Lung Institute, Universit£ di Roma, Oregon State University, University of Messina, IRBM-Merck Research Laboratories Rome, Gilead Sciences, ChanTest Corporation] 1
- [Mumbai University, Merck Research Laboratories, University of Silesia, Univ. Orl£ans et CNRS, IRBM S.p.A., National Heart and Lung Institute, Universit£ di Roma, Oregon State University, University of Messina, IRBM-Merck Research Laboratories Rome, Gilead Sciences, ChanTest Corporation] 1
- [Mumbai University, Merck Research Laboratories, University of Silesia, Univ. Orl£ans et CNRS, IRBM S.p.A., National Heart and Lung Institute, Universit£ di Roma, Oregon State University, University of Messina, IRBM-Merck Research Laboratories Rome, Gilead Sciences, ChanTest Corporation] 1
- [Mumbai University, Merck Research Laboratories, University of Silesia, Univ. Orl£ans et CNRS, IRBM S.p.A., National Heart and Lung Institute, Universit£ di Roma, Oregon State University, University of Messina, IRBM-Merck Research Laboratories Rome, Gilead Sciences, ChanTest Corporation] 1
- [Mumbai University, Merck Research Laboratories, University of Silesia, Univ. Orl£ans et CNRS, IRBM S.p.A., National Heart and Lung Institute, Universit£ di Roma, Oregon State University, University of Messina, IRBM-Merck Research Laboratories Rome, Gilead Sciences, ChanTest Corporation] 1
- [Mumbai University, Merck Research Laboratories, University of Silesia, Univ. Orl£ans et CNRS, IRBM S.p.A., National Heart and Lung Institute, Universit£ di Roma, Oregon State University, University of Messina, IRBM-Merck Research Laboratories Rome, Gilead Sciences, ChanTest Corporation] 1
- [Mumbai University, Merck Research Laboratories, University of Silesia, Univ. Orl£ans et CNRS, IRBM S.p.A., National Heart and Lung Institute, Universit£ di Roma, Oregon State University, University of Messina, IRBM-Merck Research Laboratories Rome, Gilead Sciences, ChanTest Corporation] 1
- [Mumbai University, Merck Research Laboratories, University of Silesia, Univ. Orl£ans et CNRS, IRBM S.p.A., National Heart and Lung Institute, Universit£ di Roma, Oregon State University, University of Messina, IRBM-Merck Research Laboratories Rome, Gilead Sciences, ChanTest Corporation] 1
- [Mumbai University, Merck Research Laboratories, University of Silesia, Univ. Orl£ans et CNRS, IRBM S.p.A., National Heart and Lung Institute, Universit£ di Roma, Oregon State University, University of Messina, IRBM-Merck Research Laboratories Rome, Gilead Sciences, ChanTest Corporation] 1
Affinity: 2 to 5.0E+6 nM▿
- Ki 1
- IC50 69
- Affinity ≤ nM
Xtal structures: 0
Docked structures: 0
Catalog Cmpds: 1