BDBM50183273 (S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-methylbutan-2-yl)-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid::6-(3-Chloro-2-fluorobenzyl)-1-((2S)-1-hydroxy-3-methylbutan-2-yl)-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid::6-(3-chloro-2-fluorobenzyl)-1-[(1S)-1-(hydroxymethyl)-2-methylpropyl]-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid::CHEMBL204656::ELVITEGRAVIR
SMILES: COc1cc2n(cc(C(O)=O)c(=O)c2cc1Cc1cccc(Cl)c1F)[C@H](CO)C(C)C
InChI Key: InChIKey=JUZYLCPPVHEVSV-LJQANCHMSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1) | BDBM50183273 ((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | DrugBank Article PubMed | n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza" Universit£ di Roma Curated by ChEMBL | Assay Description Inhibition of HIV1 integrase strand transfer activity by gel-based assay | J Med Chem 57: 3223-34 (2014) Article DOI: 10.1021/jm5001503 BindingDB Entry DOI: 10.7270/Q25Q4XM5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50183273 ((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University Curated by ChEMBL | Assay Description Inhibition of HIV integrase strand transfer activity | Bioorg Med Chem 27: 3836-3845 (2019) Article DOI: 10.1016/j.bmc.2019.07.011 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1) | BDBM50183273 ((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | DrugBank Article PubMed | n/a | n/a | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity | J Med Chem 49: 1506-8 (2006) Article DOI: 10.1021/jm0600139 BindingDB Entry DOI: 10.7270/Q2H131NP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50183273 ((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
"Sapienza" Universit£ di Roma Curated by ChEMBL | Assay Description Inhibition of HIV-1 integrase assessed as inhibition of strand transfer activity using 32P-labeled DNA as substrate after 1 hr by gel-based assay in ... | J Med Chem 58: 4610-23 (2015) Article DOI: 10.1021/acs.jmedchem.5b00159 BindingDB Entry DOI: 10.7270/Q2QC06H4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Reverse transcriptase (Human immunodeficiency virus 1) | BDBM50183273 ((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 9.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
"Sapienza" Universit£ di Roma Curated by ChEMBL | Assay Description Inhibition of RNase H function of HIV1 reverse transcriptase using DNA/RNA hybrid as substrate by fluorescence spectrometer analysis | J Med Chem 58: 4610-23 (2015) Article DOI: 10.1021/acs.jmedchem.5b00159 BindingDB Entry DOI: 10.7270/Q2QC06H4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50183273 ((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 8.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
"Sapienza" Universit£ di Roma Curated by ChEMBL | Assay Description Inhibition of HIV-1 integrase assessed as inhibition of 3'-processing activity using 32P-labeled DNA as substrate after 1 hr by gel-based assay in pr... | J Med Chem 58: 4610-23 (2015) Article DOI: 10.1021/acs.jmedchem.5b00159 BindingDB Entry DOI: 10.7270/Q2QC06H4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50183273 ((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University Curated by ChEMBL | Assay Description Inhibition of HIV1 integrase | Bioorg Med Chem 23: 3860-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.037 BindingDB Entry DOI: 10.7270/Q2FX7DFD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50183273 ((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 7.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
JT Inc. Curated by ChEMBL | Assay Description Inhibition of HIV1 integrase strand transfer activity | J Med Chem 52: 4869-82 (2009) Article DOI: 10.1021/jm900460z BindingDB Entry DOI: 10.7270/Q2GT5R07 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50183273 ((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Messina Curated by ChEMBL | Assay Description Inhibition of HIV-1 integrase after 1 hr by ELISA | Eur J Med Chem 46: 756-64 (2011) Article DOI: 10.1016/j.ejmech.2010.12.012 BindingDB Entry DOI: 10.7270/Q23B62ZN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50183273 ((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Katholieke Universiteit Leuven Curated by ChEMBL | Assay Description Inhibition of Human immunodeficiency virus 1 integrase | Antimicrob Agents Chemother 52: 2861-9 (2008) Article DOI: 10.1128/aac.00210-08 BindingDB Entry DOI: 10.7270/Q2XK8JCF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50183273 ((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Katholieke Universiteit Leuven Curated by ChEMBL | Assay Description Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity | Antimicrob Agents Chemother 52: 2861-9 (2008) Article DOI: 10.1128/aac.00210-08 BindingDB Entry DOI: 10.7270/Q2XK8JCF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50183273 ((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Siena Curated by ChEMBL | Assay Description Inhibition of HIV1 integrase 3'-processing activity | J Med Chem 51: 5125-9 (2008) Article DOI: 10.1021/jm8003784 BindingDB Entry DOI: 10.7270/Q2736TQF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50183273 ((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Siena Curated by ChEMBL | Assay Description Inhibition of HIV1 integrase by overall integration assay | J Med Chem 51: 5125-9 (2008) Article DOI: 10.1021/jm8003784 BindingDB Entry DOI: 10.7270/Q2736TQF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50183273 ((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Siena Curated by ChEMBL | Assay Description Inhibition of HIV1 integrase DNA strand transfer activity | J Med Chem 51: 5125-9 (2008) Article DOI: 10.1021/jm8003784 BindingDB Entry DOI: 10.7270/Q2736TQF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50183273 ((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University Curated by ChEMBL | Assay Description Inhibition of HIV-1 integrase | Eur J Med Chem 45: 3413-9 (2010) Article DOI: 10.1016/j.ejmech.2010.04.030 BindingDB Entry DOI: 10.7270/Q2125WGJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50183273 ((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd Curated by ChEMBL | Assay Description Inhibition of strand transfer activity of Human immunodeficiency virus 1 Integrase using [3H]labeled target DNA as substrate after 45 mins by scintil... | Antimicrob Agents Chemother 55: 813-21 (2011) Article DOI: 10.1128/aac.01209-10 BindingDB Entry DOI: 10.7270/Q2RX9FXN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50183273 ((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Messina Curated by ChEMBL | Assay Description Inhibition of HIV1 integrase strand transfer | Bioorg Med Chem 18: 5510-8 (2010) Article DOI: 10.1016/j.bmc.2010.06.063 BindingDB Entry DOI: 10.7270/Q2Z322G6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50183273 ((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Messina Curated by ChEMBL | Assay Description Inhibition of HIV1 integrase | Bioorg Med Chem 18: 5510-8 (2010) Article DOI: 10.1016/j.bmc.2010.06.063 BindingDB Entry DOI: 10.7270/Q2Z322G6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50183273 ((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille 1 Curated by ChEMBL | Assay Description Inhibition of HIV1 integrase 3'-end processing activity | J Med Chem 51: 7717-30 (2008) Article DOI: 10.1021/jm8007085 BindingDB Entry DOI: 10.7270/Q2222XJ1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50183273 ((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille 1 Curated by ChEMBL | Assay Description Inhibition of HIV1 integrase strand transfer activity | J Med Chem 51: 7717-30 (2008) Article DOI: 10.1021/jm8007085 BindingDB Entry DOI: 10.7270/Q2222XJ1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50183273 ((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille 1 Curated by ChEMBL | Assay Description Inhibition of HIV1 integrase | J Med Chem 51: 7717-30 (2008) Article DOI: 10.1021/jm8007085 BindingDB Entry DOI: 10.7270/Q2222XJ1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50183273 ((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Displacement of 20 nM [3H]GSK304649 from Human immunodeficiency virus 1 integrase by scintillation proximity assay | Antimicrob Agents Chemother 52: 901-8 (2008) Article DOI: 10.1128/aac.01218-07 BindingDB Entry DOI: 10.7270/Q2JQ13VN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50183273 ((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition of Human immunodeficiency virus 1 integrase by strand transfer scintillation proximity assay | Antimicrob Agents Chemother 52: 901-8 (2008) Article DOI: 10.1128/aac.01218-07 BindingDB Entry DOI: 10.7270/Q2JQ13VN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50183273 ((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Messina Curated by ChEMBL | Assay Description Inhibition of HIV1 integrase | Bioorg Med Chem Lett 18: 2891-5 (2008) Article DOI: 10.1016/j.bmcl.2008.03.089 BindingDB Entry DOI: 10.7270/Q2D50QRM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50183273 ((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Messina Curated by ChEMBL | Assay Description Inhibition of HIV1 integrase strand transfer activity | Bioorg Med Chem Lett 18: 2891-5 (2008) Article DOI: 10.1016/j.bmcl.2008.03.089 BindingDB Entry DOI: 10.7270/Q2D50QRM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50183273 ((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a |
K.L.E.S. College of Pharmacy Curated by ChEMBL | Assay Description Inhibition of HIV1 integrase strand transfer activity | Eur J Med Chem 42: 1159-68 (2007) Article DOI: 10.1016/j.ejmech.2007.01.024 BindingDB Entry DOI: 10.7270/Q27P9255 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1) | BDBM50183273 ((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | DrugBank Article PubMed | n/a | n/a | 8.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza" Universit£ di Roma Curated by ChEMBL | Assay Description Inhibition of HIV1 integrase 3'-processing activity by gel-based assays | J Med Chem 57: 3223-34 (2014) Article DOI: 10.1021/jm5001503 BindingDB Entry DOI: 10.7270/Q25Q4XM5 | |||||||||||
More data for this Ligand-Target Pair |