BDBM50170723 1,1'-Hexamethylene bis(5-(p-chlorophenyl)biguanide)::CHEMBL790::CHLORHEXIDINE::N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(imidodicarbonimidic diamide)]::N,N'-Bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediimidamide

SMILES NC(NC(N)=Nc1ccc(Cl)cc1)=NCCCCCCN=C(N)N=C(N)Nc1ccc(Cl)cc1

InChI Key InChIKey=GHXZTYHSJHQHIJ-UHFFFAOYSA-N

Data  2 KI  19 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 34 hits for monomerid = 50170723   

TargetMethionine--tRNA ligase(Staphylococcus aureus (strain Mu50 / ATCC 700699))
Sun Yat-sen University

Curated by ChEMBL
LigandPNGBDBM50170723(N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(im...)
Affinity DataKd:  0.593nMAssay Description:Binding affinity to Staphylococcus aureus MetRS expressed in Escherichia coli BL21(DE3) cells assessed as dissociation constant in presence of 500 uM...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetMethionine--tRNA ligase(Staphylococcus aureus (strain Mu50 / ATCC 700699))
Sun Yat-sen University

Curated by ChEMBL
LigandPNGBDBM50170723(N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(im...)
Affinity DataKd:  1.20nMAssay Description:Binding affinity to Staphylococcus aureus MetRS expressed in Escherichia coli BL21(DE3) cells assessed as dissociation constant in presence of 50 uM ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetMethionine--tRNA ligase(Staphylococcus aureus (strain Mu50 / ATCC 700699))
Sun Yat-sen University

Curated by ChEMBL
LigandPNGBDBM50170723(N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(im...)
Affinity DataKd:  3.10nMAssay Description:Binding affinity to Staphylococcus aureus MetRS expressed in Escherichia coli BL21(DE3) cells assessed as dissociation constant in presence of 20 uM ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetMethionine--tRNA ligase(Enterococcus faecalis)
Sun Yat-sen University

Curated by ChEMBL
LigandPNGBDBM50170723(N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(im...)
Affinity DataKd:  5nMAssay Description:Binding affinity to Enterococcus faecalis type 1 MetRS expressed in Escherichia coli BL21(DE3) cells assessed as dissociation constant by ITC analysi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetMethionine--tRNA ligase(Staphylococcus aureus (strain Mu50 / ATCC 700699))
Sun Yat-sen University

Curated by ChEMBL
LigandPNGBDBM50170723(N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(im...)
Affinity DataKd:  6nMAssay Description:Binding affinity to Staphylococcus aureus MetRS expressed in Escherichia coli BL21(DE3) cells assessed as dissociation constant in presence of 1 mM A...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetMethionine--tRNA ligase(Staphylococcus aureus (strain Mu50 / ATCC 700699))
Sun Yat-sen University

Curated by ChEMBL
LigandPNGBDBM50170723(N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(im...)
Affinity DataKd:  10nMAssay Description:Binding affinity to Staphylococcus aureus MetRS expressed in Escherichia coli BL21(DE3) cells assessed as dissociation constant by ITC analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetSolute carrier family 22 member 1(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM50170723(N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(im...)
Affinity DataIC50: 210nMAssay Description:Inhibition of human OCT1-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetMethionine--tRNA ligase(Enterococcus faecalis)
Sun Yat-sen University

Curated by ChEMBL
LigandPNGBDBM50170723(N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(im...)
Affinity DataKd:  300nMAssay Description:Binding affinity to Enterococcus faecalis type 1 MetRS expressed in Escherichia coli BL21(DE3) cells assessed as dissociation constant in presence of...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetSolute carrier family 22 member 2(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM50170723(N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(im...)
Affinity DataIC50: 400nMAssay Description:Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetSolute carrier family 22 member 3(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM50170723(N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(im...)
Affinity DataIC50: 410nMAssay Description:Inhibition of human OCT3-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetMethionine--tRNA ligase(Staphylococcus aureus (strain Mu50 / ATCC 700699))
Sun Yat-sen University

Curated by ChEMBL
LigandPNGBDBM50170723(N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(im...)
Affinity DataKd:  450nMAssay Description:Binding affinity to Staphylococcus aureus MetRS expressed in Escherichia coli BL21(DE3) cells assessed as dissociation constant in presence of 1 mM A...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetMultidrug and toxin extrusion protein 2(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM50170723(N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(im...)
Affinity DataIC50: 500nMAssay Description:Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetMultidrug and toxin extrusion protein 1(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM50170723(N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(im...)
Affinity DataIC50: 700nMAssay Description:Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetMethionine--tRNA ligase(Staphylococcus aureus (strain Mu50 / ATCC 700699))
Sun Yat-sen University

Curated by ChEMBL
LigandPNGBDBM50170723(N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(im...)
Affinity DataKd:  1.90E+3nMAssay Description:Binding affinity to Staphylococcus aureus MetRS expressed in Escherichia coli BL21(DE3) cells assessed as dissociation constant in presence of 1 mM A...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetTrypanothione reductase(Trypanosoma cruzi)
Universit£T Heidelberg

Curated by ChEMBL
LigandPNGBDBM50170723(N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(im...)
Affinity DataKi:  2.00E+3nMpH: 7.5Assay Description:Inhibitory constant against recombinant Trypanosoma cruzi trypanothione reductase was determined photometrically at 25 degree C in TR assay buffer (4...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2012
Entry Details Article
PubMed
TargetMethionine--tRNA ligase(Staphylococcus aureus (strain Mu50 / ATCC 700699))
Sun Yat-sen University

Curated by ChEMBL
LigandPNGBDBM50170723(N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(im...)
Affinity DataKd:  4.19E+3nMAssay Description:Binding affinity to Staphylococcus aureus MetRS expressed in Escherichia coli BL21(DE3) cells assessed as dissociation constant in presence of ATP/L-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
Target72 kDa type IV collagenase(Human)
Wonkwang University Sanbon Medical Center

Curated by ChEMBL
LigandPNGBDBM50170723(N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(im...)
Affinity DataIC50: 7.63E+3nMAssay Description:Inhibition of human rheumatoid synovial fibroblasts gelatinase A after 30 mins by fluorescence plate readerMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2010
Entry Details Article
PubMed
TargetMatrix metalloproteinase-9(Human)
Wonkwang University Sanbon Medical Center

Curated by ChEMBL
LigandPNGBDBM50170723(N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(im...)
Affinity DataIC50: 7.63E+3nMAssay Description:Inhibition of human neutrophils gelatinase B after 30 mins by fluorescence plate readerMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2010
Entry Details Article
PubMed
TargetMethionine--tRNA ligase(Enterococcus faecalis)
Sun Yat-sen University

Curated by ChEMBL
LigandPNGBDBM50170723(N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(im...)
Affinity DataIC50: 8.50E+3nMAssay Description:Inhibition of Enterococcus faecalis type 1 MetRS expressed in Escherichia coli BL21(DE3) cells measured after 1.5 hrs in presence of ATP by pre-trans...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetDual specificity protein kinase CLK2(Human)
Perha Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50170723(N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(im...)
Affinity DataIC50: 9.17E+3nMAssay Description:Inhibition of recombinant human CLK2 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scinti...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
TargetDual specificity tyrosine-phosphorylation-regulated kinase 1B(Human)
Perha Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50170723(N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(im...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant human DYRK1B expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
TargetDual specificity tyrosine-phosphorylation-regulated kinase 3(Human)
Perha Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50170723(N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(im...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant human DYRK3 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scint...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
TargetCasein kinase I isoform epsilon(Human)
Perha Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50170723(N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(im...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant human CK1epsilon expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
TargetGlycogen synthase kinase-3 beta(Human)
Perha Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50170723(N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(im...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant human GSK-3beta expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric s...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
TargetDual specificity protein kinase CLK4(Human)
Perha Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50170723(N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(im...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant human CLK4 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scinti...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
TargetDual specificity tyrosine-phosphorylation-regulated kinase 1A(Human)
Perha Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50170723(N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(im...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant human DYRK1A expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
TargetDual specificity tyrosine-phosphorylation-regulated kinase 2(Human)
Perha Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50170723(N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(im...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant human DYRK2 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scint...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
TargetPlatelet-derived growth factor receptor alpha/beta(Mouse)
Perha Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50170723(N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(im...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant human CDK5/p25 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric sc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
TargetDual specificity tyrosine-phosphorylation-regulated kinase 4(Human)
Perha Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50170723(N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(im...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant human DYRK4 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scint...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
TargetDual specificity protein kinase CLK1(Human)
Perha Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50170723(N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(im...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant human CLK1 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scinti...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
TargetDual specificity protein kinase CLK3(Human)
Perha Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50170723(N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(im...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant human CLK3 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scinti...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
TargetNuclear factor erythroid 2-related factor 2(Human)
Hangzhou City University

Curated by ChEMBL
LigandPNGBDBM50170723(N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(im...)
Affinity DataKd: <3.00E+4nMAssay Description:Binding affinity to human Keap1-Nrf2 protein-protein interaction assessed as dissociation constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetMethionine--tRNA ligase(Staphylococcus aureus (strain Mu50 / ATCC 700699))
Sun Yat-sen University

Curated by ChEMBL
LigandPNGBDBM50170723(N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(im...)
Affinity DataIC50: 3.08E+4nMAssay Description:Inhibition of Staphylococcus aureus MetRS expressed in Escherichia coli BL21(DE3) cells measured after 2.5 hrs in presence of ATP by pre-transfer edi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetGlutathione reductase, mitochondrial(Human)
Universit£T Heidelberg

Curated by ChEMBL
LigandPNGBDBM50170723(N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(im...)
Affinity DataKi:  1.92E+5nMAssay Description:Inhibitory constant against human glutathione reductaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2012
Entry Details Article
PubMed