BDBM11979 5-[(3-carboxy-4-hydroxyphenyl)methyl]-2-hydroxybenzoic acid::CHEMBL115145::MgrA inhibitor, 1::chemical diversity library compound 4

SMILES OC(=O)c1cc(Cc2ccc(O)c(c2)C(O)=O)ccc1O

InChI Key InChIKey=JWQFKVGACKJIAV-UHFFFAOYSA-N

Data  1 KI  18 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 11979   

TargetLethal factor(Bacillus anthracis)
Montana State University

LigandPNGBDBM11979(5-[(3-carboxy-4-hydroxyphenyl)methyl]-2-hydroxyben...)
Affinity DataKi:  2.40E+3nM ΔG°:  -7.71kcal/mole IC50:  2.90E+3nMpH: 7.2 T: 2°CAssay Description:For selected lead compounds from fluorescence-based high-throughput screening, Km and Vmax were calculated using the double-reciprocal Lineweaver-Bur...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM11979(5-[(3-carboxy-4-hydroxyphenyl)methyl]-2-hydroxyben...)
Affinity DataIC50:  5.78E+4nMAssay Description:Inhibitory concentration of compound against strand transfer of HIV-1 integrase in experiment 2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM11979(5-[(3-carboxy-4-hydroxyphenyl)methyl]-2-hydroxyben...)
Affinity DataIC50:  9.13E+4nMAssay Description:Inhibitory concentration of compound against 3'-processing of HIV-1 integrase in experiment 1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM11979(5-[(3-carboxy-4-hydroxyphenyl)methyl]-2-hydroxyben...)
Affinity DataIC50:  5.18E+4nMAssay Description:Inhibitory concentration of compound against 3'-processing of HIV-1 integrase in experiment 2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA (cytosine-5)-methyltransferase 1(Homo sapiens (Human))
Deutsches Krebsforschungszentrum

Curated by ChEMBL
LigandPNGBDBM11979(5-[(3-carboxy-4-hydroxyphenyl)methyl]-2-hydroxyben...)
Affinity DataIC50:  9.20E+4nMAssay Description:Inhibition of human recombinant DNMT1 expressed in baculovirus-insect cell system by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA (cytosine-5)-methyltransferase 3B(Homo sapiens (Human))
Deutsches Krebsforschungszentrum

Curated by ChEMBL
LigandPNGBDBM11979(5-[(3-carboxy-4-hydroxyphenyl)methyl]-2-hydroxyben...)
Affinity DataIC50:  1.70E+4nMAssay Description:Inhibition of human recombinant DNMT3B expressed in baculovirus-insect cell system by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM11979(5-[(3-carboxy-4-hydroxyphenyl)methyl]-2-hydroxyben...)
Affinity DataIC50:  6.04E+4nMAssay Description:Inhibitory concentration of compound against strand transfer of HIV-1 integrase in experiment 1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Inha University

Curated by ChEMBL
LigandPNGBDBM11979(5-[(3-carboxy-4-hydroxyphenyl)methyl]-2-hydroxyben...)
Affinity DataIC50:  3.60E+6nMAssay Description:Inhibition of PTP1B after 10 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHTH-type transcriptional regulator MgrA(Staphylococcus aureus)
University Of Nottingham

Curated by ChEMBL
LigandPNGBDBM11979(5-[(3-carboxy-4-hydroxyphenyl)methyl]-2-hydroxyben...)
Affinity DataIC50:  8.00E+3nMAssay Description:Inhibition of Staphylococcus aureus Newman His6-tagged MgrA expressed in Escherichia coli BL21(DE3) using 5'-6-F-TAAACAACAAGTTGTCCAAA-3' as substrate...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein(Dengue virus type 2)
University Of Basel

Curated by ChEMBL
LigandPNGBDBM11979(5-[(3-carboxy-4-hydroxyphenyl)methyl]-2-hydroxyben...)
Affinity DataIC50:  1.52E+3nMAssay Description:Inhibition of Dengue virus type 2 NS5 RNA methyltransferase SAM siteMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein(Dengue virus type 2)
University Of Basel

Curated by ChEMBL
LigandPNGBDBM11979(5-[(3-carboxy-4-hydroxyphenyl)methyl]-2-hydroxyben...)
Affinity DataIC50:  9.46E+3nMAssay Description:Inhibition of Dengue virus type 2 NS5 RNA methyltransferase SAM site with 0.1 % TX100More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein(Dengue virus type 2)
University Of Basel

Curated by ChEMBL
LigandPNGBDBM11979(5-[(3-carboxy-4-hydroxyphenyl)methyl]-2-hydroxyben...)
Affinity DataIC50:  6.22E+3nMAssay Description:Inhibition of Dengue virus type 2 NS5 RNA methyltransferase by spin-down assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein(Dengue virus type 2)
University Of Basel

Curated by ChEMBL
LigandPNGBDBM11979(5-[(3-carboxy-4-hydroxyphenyl)methyl]-2-hydroxyben...)
Affinity DataIC50:  3.16E+3nMAssay Description:Inhibition of Dengue virus type 2 NS5 RNA methyltransferase at 8 nM enzyme concentrationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein(Dengue virus type 2)
University Of Basel

Curated by ChEMBL
LigandPNGBDBM11979(5-[(3-carboxy-4-hydroxyphenyl)methyl]-2-hydroxyben...)
Affinity DataIC50:  7.14E+3nMAssay Description:Inhibition of Dengue virus type 2 NS5 RNA methyltransferase at 80 nM enzyme concentrationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA (cytosine-5)-methyltransferase 3-like(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM11979(5-[(3-carboxy-4-hydroxyphenyl)methyl]-2-hydroxyben...)
Affinity DataIC50:  1.40E+3nMAssay Description:Inhibition of DNMT3A/3L (unknown origin) using poly(2'-deoxyinosinic-2'-deoxycytidylic acid) as substrate after 1 hr by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA (cytosine-5)-methyltransferase 3-like/3B(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM11979(5-[(3-carboxy-4-hydroxyphenyl)methyl]-2-hydroxyben...)
Affinity DataIC50:  4.50E+4nMAssay Description:Inhibition of DNMT3B/3L (unknown origin) using poly(2'-deoxyinosinic-2'-deoxycytidylic acid) as substrate after 1 hr by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA (cytosine-5)-methyltransferase 1(Homo sapiens (Human))
Deutsches Krebsforschungszentrum

Curated by ChEMBL
LigandPNGBDBM11979(5-[(3-carboxy-4-hydroxyphenyl)methyl]-2-hydroxyben...)
Affinity DataIC50:  4.70E+4nMAssay Description:Inhibition of DNMT1 (unknown origin) using biotinylated substrate using [3H]-SAM after 1 hr by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHTH-type transcriptional regulator MgrA(Staphylococcus aureus)
University Of Nottingham

Curated by ChEMBL
LigandPNGBDBM11979(5-[(3-carboxy-4-hydroxyphenyl)methyl]-2-hydroxyben...)
Affinity DataIC50:  8.00E+3nMpH: 7.4 T: 2°CAssay Description:A fluorescence anisotropy (FA)-based biochemical assay that monitors MgrA-DNA binding. To determine the binding affinity of MgrA to the labeled DNA,...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed