BDBM23399 4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-dioxobutanoic acid::CHEMBL421353::CHEMBL50605::L-731988

SMILES OC(=O)C(=O)CC(=O)c1cccn1Cc1ccc(F)cc1

InChI Key InChIKey=PJIBKQJSMPMZCH-UHFFFAOYSA-N

Data  4 KI  20 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 23399   

TargetIntegrase(Human immunodeficiency virus type 1)
University of Houston

Curated by ChEMBL
LigandPNGBDBM23399(4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...)
Affinity DataIC50: 126nMAssay Description:Inhibitory activity against HIV-1 integraseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2012
Entry Details Article
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM23399(4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...)
Affinity DataIC50: 400nMAssay Description:Inhibition of HIV integrase pre-incubated for 10 mins before addition of oligo-5'-biotin ATGTGGAAAATCTCTAGCA annealed with ACTGCTAGAGATTTTCCACAT 3'-C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM23399(4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...)
Affinity DataIC50: 50nMAssay Description:Inhibition of recombinant HIV1 integrase strand transfer activity by high throughput electrochemiluminescent assay in presence of magnesiumMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2020
Entry Details Article
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM23399(4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...)
Affinity DataIC50: 540nMAssay Description:Inhibition of HIV1 integrase strand transfer activity by PAGEMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2020
Entry Details Article
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM23399(4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...)
Affinity DataIC50: 1.50E+4nMAssay Description:Inhibition of HIV1 integrase 3' processing activity by PAGEMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2020
Entry Details Article
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
University of Houston

Curated by ChEMBL
LigandPNGBDBM23399(4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...)
Affinity DataIC50: 2.00E+3nMAssay Description:Inhibitory activity against HIV-1 integrase.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
University of Houston

Curated by ChEMBL
LigandPNGBDBM23399(4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...)
Affinity DataIC50: 20nMAssay Description:Inhibition of HIV integraseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/7/2012
Entry Details Article
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
University of Houston

Curated by ChEMBL
LigandPNGBDBM23399(4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...)
Affinity DataIC50: 300nMAssay Description:Inhibition of HIV1 recombinant integraseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/7/2012
Entry Details Article
PubMed
TargetGag-Pol polyprotein [1148-1435](Human immunodeficiency virus type 1)
Gilead Sciences

LigandPNGBDBM23399(4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...)
Affinity DataIC50: 37nMpH: 7.3 T: 2°CAssay Description:In the 3-end joining assay, the biotinylated donor DNA was bound to streptavidin-coated plates, and integrase was added to each well to allow process...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/8/2008
Entry Details Article
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM23399(4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...)
Affinity DataIC50: 57nMAssay Description:Inhibition of HIV-1 integrase strand transfer activity by gel-based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/24/2016
Entry Details Article
PubMed
TargetReverse transcriptase(Human immunodeficiency virus type 1)
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM23399(4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...)
Affinity DataIC50: 5.40E+4nMAssay Description:Inhibition of HIV-1 recombinant RT-associted RNase H activity expressed in Escherichia coli M15 using poly(dC)-[3H]poly(rG) hybrid as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/24/2016
Entry Details Article
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM23399(4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...)
Affinity DataIC50: 80nMAssay Description:Inhibition of HIV-1 HXB2 integrase using 32P-labelled oligonucleotide as substrate after 1 hr by phosphorimager analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/24/2016
Entry Details Article
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
University of Houston

Curated by ChEMBL
LigandPNGBDBM23399(4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...)
Affinity DataIC50: 540nMAssay Description:Inhibition of HIV1 integrase strand transfer activityMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
University of Houston

Curated by ChEMBL
LigandPNGBDBM23399(4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...)
Affinity DataIC50: 1.50E+4nMAssay Description:Inhibition of HIV1 integrase 3' processing activityMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
University of Houston

Curated by ChEMBL
LigandPNGBDBM23399(4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...)
Affinity DataIC50: 50nMAssay Description:Strand transfer inhibitory activity against HIV-1 integraseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetRNA-directed RNA polymerase(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM23399(4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...)
Affinity DataIC50: 9.30E+4nMpH: 7.5Assay Description:Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
University of Houston

Curated by ChEMBL
LigandPNGBDBM23399(4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...)
Affinity DataIC50: 170nMAssay Description:Inhibition of recombinant HIV-1 Integrase in strand transfer enzyme assay.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
University of Houston

Curated by ChEMBL
LigandPNGBDBM23399(4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...)
Affinity DataIC50: 500nMAssay Description:Inhibition of HIV-1 integrase catalytic activityMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
University of Houston

Curated by ChEMBL
LigandPNGBDBM23399(4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...)
Affinity DataIC50: 1.45E+4nMAssay Description:Evaluated for inhibition of HIV-1 integrase catalytic activity in terms of inhibition of 3'-processingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
University of Houston

Curated by ChEMBL
LigandPNGBDBM23399(4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...)
Affinity DataIC50: 2.00E+3nMAssay Description:Inhibitory activity against HIV-1 integrase.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Human)
University of Sassari

Curated by ChEMBL
LigandPNGBDBM23399(4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...)
Affinity DataKi:  2.65E+3nMAssay Description:Inhibition of human CA2 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2013
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
University of Sassari

Curated by ChEMBL
LigandPNGBDBM23399(4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...)
Affinity DataKi:  5.07E+3nMAssay Description:Inhibition of human CA1 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2013
Entry Details Article
PubMed
TargetCarbonic anhydrase 9(Human)
University of Sassari

Curated by ChEMBL
LigandPNGBDBM23399(4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...)
Affinity DataKi:  6.93E+3nMAssay Description:Inhibition of human CA9 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2013
Entry Details Article
PubMed
TargetCarbonic anhydrase 12(Human)
University of Sassari

Curated by ChEMBL
LigandPNGBDBM23399(4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...)
Affinity DataKi:  7.94E+3nMAssay Description:Inhibition of human CA12 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2013
Entry Details Article
PubMed