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

Data  27 IC50  2 EC50

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 50183273   

TargetIntegrase(Human immunodeficiency virus 1)
Sapienza University Of Rome

Curated by ChEMBL
LigandPNGBDBM50183273((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...)
Affinity DataIC50:  28nMAssay Description:Inhibition of HIV1 integrase strand transfer activity by gel-based assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetIntegrase(Human immunodeficiency virus 1)
Sapienza University Of Rome

Curated by ChEMBL
LigandPNGBDBM50183273((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...)
Affinity DataEC50:  1nMAssay Description:Inhibition of HIV-1 integrase mutant strand transfer activity incubated for 10 mins by enzymatic assayMore data for this Ligand-Target Pair
In DepthDetails PubMedDrugBank

TargetIntegrase(Human immunodeficiency virus 1)
Sapienza University Of Rome

Curated by ChEMBL
LigandPNGBDBM50183273((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...)
Affinity DataIC50:  7.20nMAssay Description:Inhibition of recombinant HIV1 integrase strand transfer activityMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetIntegrase(Human immunodeficiency virus 1)
"Sapienza" Universit£

Curated by ChEMBL
LigandPNGBDBM50183273((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...)
Affinity DataIC50:  28nMAssay 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 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase(Human immunodeficiency virus 1)
"Sapienza" Universit£

Curated by ChEMBL
LigandPNGBDBM50183273((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...)
Affinity DataIC50:  9.10E+4nMAssay Description:Inhibition of RNase H function of HIV1 reverse transcriptase using DNA/RNA hybrid as substrate by fluorescence spectrometer analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
"Sapienza" Universit£

Curated by ChEMBL
LigandPNGBDBM50183273((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...)
Affinity DataIC50:  8.10E+3nMAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
"Sapienza" Universit£

Curated by ChEMBL
LigandPNGBDBM50183273((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...)
Affinity DataIC50:  1.80nMAssay Description:Inhibition of HIV1 integraseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
"Sapienza" Universit£

Curated by ChEMBL
LigandPNGBDBM50183273((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...)
Affinity DataIC50:  7.20E+3nMAssay Description:Inhibition of HIV1 integrase strand transfer activityMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
"Sapienza" Universit£

Curated by ChEMBL
LigandPNGBDBM50183273((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...)
Affinity DataIC50:  4nMAssay Description:Inhibition of HIV-1 integrase after 1 hr by ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
"Sapienza" Universit£

Curated by ChEMBL
LigandPNGBDBM50183273((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...)
Affinity DataIC50:  3.80nMAssay Description:Inhibition of Human immunodeficiency virus 1 integraseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
"Sapienza" Universit£

Curated by ChEMBL
LigandPNGBDBM50183273((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...)
Affinity DataIC50:  15nMAssay Description:Inhibition of Human immunodeficiency virus 1 integrase strand transfer activityMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
"Sapienza" Universit£

Curated by ChEMBL
LigandPNGBDBM50183273((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...)
Affinity DataIC50:  50nMAssay Description:Inhibition of HIV1 integrase 3'-processing activityMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
"Sapienza" Universit£

Curated by ChEMBL
LigandPNGBDBM50183273((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...)
Affinity DataIC50:  2nMAssay Description:Inhibition of HIV1 integrase by overall integration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
"Sapienza" Universit£

Curated by ChEMBL
LigandPNGBDBM50183273((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...)
Affinity DataIC50:  7nMAssay Description:Inhibition of HIV1 integrase DNA strand transfer activityMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
"Sapienza" Universit£

Curated by ChEMBL
LigandPNGBDBM50183273((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...)
Affinity DataIC50:  7.20nMAssay Description:Inhibition of HIV-1 integraseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
"Sapienza" Universit£

Curated by ChEMBL
LigandPNGBDBM50183273((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...)
Affinity DataIC50:  6nMAssay Description:Inhibition of strand transfer activity of Human immunodeficiency virus 1 Integrase using [3H]labeled target DNA as substrate after 45 mins by scintil...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
"Sapienza" Universit£

Curated by ChEMBL
LigandPNGBDBM50183273((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...)
Affinity DataIC50:  15nMAssay Description:Inhibition of HIV1 integrase strand transferMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
"Sapienza" Universit£

Curated by ChEMBL
LigandPNGBDBM50183273((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...)
Affinity DataIC50:  4nMAssay Description:Inhibition of HIV1 integraseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
"Sapienza" Universit£

Curated by ChEMBL
LigandPNGBDBM50183273((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...)
Affinity DataIC50:  50nMAssay Description:Inhibition of HIV1 integrase 3'-end processing activityMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
"Sapienza" Universit£

Curated by ChEMBL
LigandPNGBDBM50183273((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...)
Affinity DataIC50:  7nMAssay Description:Inhibition of HIV1 integrase strand transfer activityMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
"Sapienza" Universit£

Curated by ChEMBL
LigandPNGBDBM50183273((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...)
Affinity DataIC50:  4nMAssay Description:Inhibition of HIV1 integraseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
"Sapienza" Universit£

Curated by ChEMBL
LigandPNGBDBM50183273((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...)
Affinity DataIC50:  11nMAssay Description:Displacement of 20 nM [3H]GSK304649 from Human immunodeficiency virus 1 integrase by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
"Sapienza" Universit£

Curated by ChEMBL
LigandPNGBDBM50183273((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...)
Affinity DataIC50:  6nMAssay Description:Inhibition of Human immunodeficiency virus 1 integrase by strand transfer scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
"Sapienza" Universit£

Curated by ChEMBL
LigandPNGBDBM50183273((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...)
Affinity DataIC50:  4nMAssay Description:Inhibition of HIV1 integraseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
"Sapienza" Universit£

Curated by ChEMBL
LigandPNGBDBM50183273((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...)
Affinity DataIC50:  15nMAssay Description:Inhibition of HIV1 integrase strand transfer activityMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
"Sapienza" Universit£

Curated by ChEMBL
LigandPNGBDBM50183273((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...)
Affinity DataIC50:  7.20nMAssay Description:Inhibition of HIV1 integrase strand transfer activityMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
"Sapienza" Universit£

Curated by ChEMBL
LigandPNGBDBM50183273((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...)
Affinity DataIC50:  3.80nMAssay Description:Inhibition of HIV integrase strand transfer activityMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
Sapienza University Of Rome

Curated by ChEMBL
LigandPNGBDBM50183273((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...)
Affinity DataEC50:  0.210nMAssay Description:Inhibition of HIV-1 integrase strand transfer activity incubated for 10 mins by enzymatic assayMore data for this Ligand-Target Pair
In DepthDetails PubMedDrugBank

TargetIntegrase(Human immunodeficiency virus 1)
Sapienza University Of Rome

Curated by ChEMBL
LigandPNGBDBM50183273((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...)
Affinity DataIC50:  8.10E+3nMAssay Description:Inhibition of HIV1 integrase 3'-processing activity by gel-based assaysMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank