BDBM11979 5-[(3-carboxy-4-hydroxyphenyl)methyl]-2-hydroxybenzoic acid::CHEMBL115145::MgrA inhibitor, 1::US20250213569, Compound 30::chemical diversity library compound 4

SMILES c1cc(c(cc1Cc2ccc(c(c2)C(=O)O)O)C(=O)O)O

InChI Key InChIKey=JWQFKVGACKJIAV-UHFFFAOYSA-N

Data  1 KI  19 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 11979   

TargetHTH-type transcriptional regulator MgrA(Staphylococcus aureus)
University of Nottingham

Curated by ChEMBL
LigandPNGBDBM11979(MgrA inhibitor, 1 | CHEMBL115145 | 5-[(3-carboxy-4...)
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 Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
New York University

US Patent
LigandPNGBDBM11979(MgrA inhibitor, 1 | CHEMBL115145 | 5-[(3-carboxy-4...)
Affinity DataIC50: 2.00E+5nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/22/2025
Entry Details
Go to US Patent

TargetDNA (cytosine-5)-methyltransferase 1(Human)
University of Montreal

Curated by ChEMBL
LigandPNGBDBM11979(MgrA inhibitor, 1 | CHEMBL115145 | 5-[(3-carboxy-4...)
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 Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetDNA (cytosine-5)-methyltransferase 3-like/3B(Human)
University of Montreal

Curated by ChEMBL
LigandPNGBDBM11979(MgrA inhibitor, 1 | CHEMBL115145 | 5-[(3-carboxy-4...)
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 Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetDNA (cytosine-5)-methyltransferase 3-like(Human)
University of Montreal

Curated by ChEMBL
LigandPNGBDBM11979(MgrA inhibitor, 1 | CHEMBL115145 | 5-[(3-carboxy-4...)
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 Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetGenome polyprotein(DENV-2)
University of Basel

Curated by ChEMBL
LigandPNGBDBM11979(MgrA inhibitor, 1 | CHEMBL115145 | 5-[(3-carboxy-4...)
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 Depth
Date in BDB:
8/27/2020
Entry Details Article
PubMed
TargetGenome polyprotein(DENV-2)
University of Basel

Curated by ChEMBL
LigandPNGBDBM11979(MgrA inhibitor, 1 | CHEMBL115145 | 5-[(3-carboxy-4...)
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 Depth
Date in BDB:
8/27/2020
Entry Details Article
PubMed
TargetGenome polyprotein(DENV-2)
University of Basel

Curated by ChEMBL
LigandPNGBDBM11979(MgrA inhibitor, 1 | CHEMBL115145 | 5-[(3-carboxy-4...)
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 Depth
Date in BDB:
8/27/2020
Entry Details Article
PubMed
TargetGenome polyprotein(DENV-2)
University of Basel

Curated by ChEMBL
LigandPNGBDBM11979(MgrA inhibitor, 1 | CHEMBL115145 | 5-[(3-carboxy-4...)
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 Depth
Date in BDB:
8/27/2020
Entry Details Article
PubMed
TargetGenome polyprotein(DENV-2)
University of Basel

Curated by ChEMBL
LigandPNGBDBM11979(MgrA inhibitor, 1 | CHEMBL115145 | 5-[(3-carboxy-4...)
Affinity DataIC50: 1.52E+3nMAssay Description:Inhibition of Dengue virus type 2 NS5 RNA methyltransferase SAM siteMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2020
Entry Details Article
PubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Inha University

Curated by ChEMBL
LigandPNGBDBM11979(MgrA inhibitor, 1 | CHEMBL115145 | 5-[(3-carboxy-4...)
Affinity DataIC50: 3.60E+6nMAssay Description:Inhibition of PTP1B after 10 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/11/2012
Entry Details Article
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM11979(MgrA inhibitor, 1 | CHEMBL115145 | 5-[(3-carboxy-4...)
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 Depth
Date in BDB:
11/6/2012
Entry Details Article
PubMed
TargetDNA (cytosine-5)-methyltransferase 3B(Human)
Deutsches Krebsforschungszentrum

Curated by ChEMBL
LigandPNGBDBM11979(MgrA inhibitor, 1 | CHEMBL115145 | 5-[(3-carboxy-4...)
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 Depth
Date in BDB:
9/2/2010
Entry Details Article
PubMed
TargetDNA (cytosine-5)-methyltransferase 1(Human)
University of Montreal

Curated by ChEMBL
LigandPNGBDBM11979(MgrA inhibitor, 1 | CHEMBL115145 | 5-[(3-carboxy-4...)
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 Depth
Date in BDB:
9/2/2010
Entry Details Article
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM11979(MgrA inhibitor, 1 | CHEMBL115145 | 5-[(3-carboxy-4...)
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 Depth
Date in BDB:
11/6/2012
Entry Details Article
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM11979(MgrA inhibitor, 1 | CHEMBL115145 | 5-[(3-carboxy-4...)
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 Depth
Date in BDB:
11/6/2012
Entry Details Article
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM11979(MgrA inhibitor, 1 | CHEMBL115145 | 5-[(3-carboxy-4...)
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 Depth
Date in BDB:
11/6/2012
Entry Details Article
PubMed
TargetHTH-type transcriptional regulator MgrA(Staphylococcus aureus)
University of Nottingham

Curated by ChEMBL
LigandPNGBDBM11979(MgrA inhibitor, 1 | CHEMBL115145 | 5-[(3-carboxy-4...)
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 Depth
Date in BDB:
10/3/2011
Entry Details Article
PubMed
TargetLethal factor(Bacillus anthracis)
Montana State University

LigandPNGBDBM11979(MgrA inhibitor, 1 | CHEMBL115145 | 5-[(3-carboxy-4...)
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 Depth
Date in BDB:
11/14/2006
Entry Details Article
PubMed