chlorhexidine [Ligand Id: 14052] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL790 (Avagard, Chlorhexadine, Chlorhexidine, Clorhexidina, Dentisept, Merfen-incolore) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| MMP2/72 kDa type IV collagenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL333] [GtoPdb: 1629] [UniProtKB: P08253] | ||||||||
| ChEMBL | Inhibition of human rheumatoid synovial fibroblasts gelatinase A after 30 mins by fluorescence plate reader | B | 5.12 | pIC50 | 7630 | nM | IC50 | Bioorg Med Chem Lett (2010) 20: 991-993 [PMID:20053563] |
| casein kinase 1 epsilon/Casein kinase I isoform epsilon in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4937] [GtoPdb: 1998] [UniProtKB: P49674] | ||||||||
| ChEMBL | Inhibition of recombinant human CK1epsilon expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2023) 66: 4106-4130 [PMID:36876904] |
| cyclin dependent kinase 5/Cyclin-dependent kinase 5/CDK5 activator 1 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907600] [GtoPdb: 1977] [UniProtKB: Q00535, Q15078] | ||||||||
| ChEMBL | 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 scintillation counter analysis | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2023) 66: 4106-4130 [PMID:36876904] |
| CDC like kinase 1/Dual specificity protein kinase CLK1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4224] [GtoPdb: 1990] [UniProtKB: P49759] | ||||||||
| ChEMBL | Inhibition of recombinant human CLK1 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2023) 66: 4106-4130 [PMID:36876904] |
| CDC like kinase 2/Dual specificity protein kinase CLK2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4225] [GtoPdb: 1991] [UniProtKB: P49760] | ||||||||
| ChEMBL | Inhibition of recombinant human CLK2 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis | B | 5.04 | pIC50 | 9165 | nM | IC50 | J Med Chem (2023) 66: 4106-4130 [PMID:36876904] |
| CDC like kinase 3/Dual specificity protein kinase CLK3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4226] [GtoPdb: 1992] [UniProtKB: P49761] | ||||||||
| ChEMBL | Inhibition of recombinant human CLK3 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2023) 66: 4106-4130 [PMID:36876904] |
| CDC like kinase 4/Dual specificity protein kinase CLK4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4203] [GtoPdb: 1993] [UniProtKB: Q9HAZ1] | ||||||||
| ChEMBL | Inhibition of recombinant human CLK4 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2023) 66: 4106-4130 [PMID:36876904] |
| dual specificity tyrosine phosphorylation regulated kinase 1A/Dual specificity tyrosine-phosphorylation-regulated kinase 1A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2292] [GtoPdb: 2009] [UniProtKB: Q13627] | ||||||||
| ChEMBL | Inhibition of recombinant human DYRK1A expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2023) 66: 4106-4130 [PMID:36876904] |
| dual specificity tyrosine phosphorylation regulated kinase 1B/Dual specificity tyrosine-phosphorylation-regulated kinase 1B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5543] [GtoPdb: 2010] [UniProtKB: Q9Y463] | ||||||||
| ChEMBL | Inhibition of recombinant human DYRK1B expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2023) 66: 4106-4130 [PMID:36876904] |
| dual specificity tyrosine phosphorylation regulated kinase 2/Dual specificity tyrosine-phosphorylation-regulated kinase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4376] [GtoPdb: 2011] [UniProtKB: Q92630] | ||||||||
| ChEMBL | Inhibition of recombinant human DYRK2 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2023) 66: 4106-4130 [PMID:36876904] |
| dual specificity tyrosine phosphorylation regulated kinase 3/Dual specificity tyrosine-phosphorylation-regulated kinase 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4575] [GtoPdb: 2012] [UniProtKB: O43781] | ||||||||
| ChEMBL | Inhibition of recombinant human DYRK3 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2023) 66: 4106-4130 [PMID:36876904] |
| dual specificity tyrosine phosphorylation regulated kinase 4/Dual specificity tyrosine-phosphorylation-regulated kinase 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075115] [GtoPdb: 2013] [UniProtKB: Q9NR20] | ||||||||
| ChEMBL | Inhibition of recombinant human DYRK4 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2023) 66: 4106-4130 [PMID:36876904] |
| glutathione-disulfide reductase/Glutathione reductase, mitochondrial in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2755] [GtoPdb: 2613] [UniProtKB: P00390] | ||||||||
| ChEMBL | Inhibitory constant against human glutathione reductase | B | 3.68 | pKi | 210 | uM | Ki' | J Med Chem (2005) 48: 4793-4802 [PMID:16033259] |
| glycogen synthase kinase 3 beta/Glycogen synthase kinase-3 beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL262] [GtoPdb: 2030] [UniProtKB: P49841] | ||||||||
| ChEMBL | 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 scintillation counter analysis | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2023) 66: 4106-4130 [PMID:36876904] |
| MMP9/Matrix metalloproteinase-9 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL321] [GtoPdb: 1633] [UniProtKB: P14780] | ||||||||
| ChEMBL | Inhibition of human neutrophils gelatinase B after 30 mins by fluorescence plate reader | B | 5.12 | pIC50 | 7630 | nM | IC50 | Bioorg Med Chem Lett (2010) 20: 991-993 [PMID:20053563] |
| Methionine--tRNA ligase in Enterococcus faecalis (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6066151] [UniProtKB: A0A3N3ZFK4] | ||||||||
| ChEMBL | Binding affinity to Enterococcus faecalis type 1 MetRS expressed in Escherichia coli BL21(DE3) cells assessed as dissociation constant in presence of 1 mM ATP by ITC analysis | B | 6.52 | pKd | 300 | nM | Kd | Eur J Med Chem (2024) 268: 116303-116303 [PMID:38458107] |
| ChEMBL | Binding affinity to Enterococcus faecalis type 1 MetRS expressed in Escherichia coli BL21(DE3) cells assessed as dissociation constant by ITC analysis | B | 8.3 | pKd | 5.04 | nM | Kd | Eur J Med Chem (2024) 268: 116303-116303 [PMID:38458107] |
| ChEMBL | 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-transfer editing assay | B | 5.07 | pIC50 | 8500 | nM | IC50 | Eur J Med Chem (2024) 268: 116303-116303 [PMID:38458107] |
| Methionine--tRNA ligase in Staphylococcus aureus (strain Mu50 / ATCC 700699) (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6066152] [UniProtKB: P67578] | ||||||||
| ChEMBL | Binding affinity to Staphylococcus aureus MetRS expressed in Escherichia coli BL21(DE3) cells assessed as dissociation constant in presence of ATP/L-Met by ITC analysis | B | 5.38 | pKd | 4190 | nM | Kd | Eur J Med Chem (2024) 268: 116303-116303 [PMID:38458107] |
| ChEMBL | Binding affinity to Staphylococcus aureus MetRS expressed in Escherichia coli BL21(DE3) cells assessed as dissociation constant in presence of 1 mM ADP by ITC analysis | B | 5.72 | pKd | 1900 | nM | Kd | Eur J Med Chem (2024) 268: 116303-116303 [PMID:38458107] |
| ChEMBL | Binding affinity to Staphylococcus aureus MetRS expressed in Escherichia coli BL21(DE3) cells assessed as dissociation constant in presence of 1 mM ATP by ITC analysis | B | 6.35 | pKd | 450 | nM | Kd | Eur J Med Chem (2024) 268: 116303-116303 [PMID:38458107] |
| ChEMBL | Binding affinity to Staphylococcus aureus MetRS expressed in Escherichia coli BL21(DE3) cells assessed as dissociation constant by ITC analysis | B | 7.99 | pKd | 10.2 | nM | Kd | Eur J Med Chem (2024) 268: 116303-116303 [PMID:38458107] |
| ChEMBL | Binding affinity to Staphylococcus aureus MetRS expressed in Escherichia coli BL21(DE3) cells assessed as dissociation constant in presence of 1 mM AMP by ITC analysis | B | 8.22 | pKd | 6 | nM | Kd | Eur J Med Chem (2024) 268: 116303-116303 [PMID:38458107] |
| ChEMBL | Binding affinity to Staphylococcus aureus MetRS expressed in Escherichia coli BL21(DE3) cells assessed as dissociation constant in presence of 20 uM ATP by ITC analysis | B | 8.51 | pKd | 3.1 | nM | Kd | Eur J Med Chem (2024) 268: 116303-116303 [PMID:38458107] |
| ChEMBL | Binding affinity to Staphylococcus aureus MetRS expressed in Escherichia coli BL21(DE3) cells assessed as dissociation constant in presence of 50 uM ATP by ITC analysis | B | 8.92 | pKd | 1.21 | nM | Kd | Eur J Med Chem (2024) 268: 116303-116303 [PMID:38458107] |
| ChEMBL | Binding affinity to Staphylococcus aureus MetRS expressed in Escherichia coli BL21(DE3) cells assessed as dissociation constant in presence of 500 uM ATP by ITC analysis | B | 9.23 | pKd | 0.59 | nM | Kd | Eur J Med Chem (2024) 268: 116303-116303 [PMID:38458107] |
| ChEMBL | Inhibition of Staphylococcus aureus MetRS expressed in Escherichia coli BL21(DE3) cells measured after 2.5 hrs in presence of ATP by pre-transfer editing assay | B | 4.51 | pIC50 | 30800 | nM | IC50 | Eur J Med Chem (2024) 268: 116303-116303 [PMID:38458107] |
| Multidrug and toxin extrusion/Multidrug and toxin extrusion protein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1743126] [GtoPdb: 1216] [UniProtKB: Q96FL8] | ||||||||
| ChEMBL | Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay | B | 6.15 | pIC50 | 700 | nM | IC50 | J Med Chem (2013) 56: 781-795 [PMID:23241029] |
| MATE2/Multidrug and toxin extrusion protein 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1743127] [GtoPdb: 1217] [UniProtKB: Q86VL8] | ||||||||
| ChEMBL | Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay | B | 6.3 | pIC50 | 500 | nM | IC50 | J Med Chem (2013) 56: 781-795 [PMID:23241029] |
| Organic cation transporter 1/Solute carrier family 22 member 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5685] [GtoPdb: 1019] [UniProtKB: O15245] | ||||||||
| ChEMBL | Inhibition of human OCT1-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay | B | 6.68 | pIC50 | 210 | nM | IC50 | J Med Chem (2013) 56: 781-795 [PMID:23241029] |
| Organic cation transporter 2/Solute carrier family 22 member 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1743122] [GtoPdb: 1020] [UniProtKB: O15244] | ||||||||
| ChEMBL | Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay | B | 6.4 | pIC50 | 400 | nM | IC50 | J Med Chem (2013) 56: 781-795 [PMID:23241029] |
| Organic cation transporter 3/Solute carrier family 22 member 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2073673] [GtoPdb: 1021] [UniProtKB: O75751] | ||||||||
| ChEMBL | Inhibition of human OCT3-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay | B | 6.39 | pIC50 | 410 | nM | IC50 | J Med Chem (2013) 56: 781-795 [PMID:23241029] |
| SYNJ1/Synaptojanin-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523136] [GtoPdb: 1461] [UniProtKB: O43426] | ||||||||
| ChEMBL | Inhibition of C-Myc/DDK-tagged human recombinant SYNJ1 expressed in HEK293T cells assessed as reduction in 5'-phosphatase activity incubated for 8 mins using fluorescently-labeled PI(3,4)P2 probe and Tapp1 PH-domain as detector protein by fluorescence polarization competitive assay | B | 4.8 | pIC50 | <=15900 | nM | IC50 | US-20170042857-A1. Synaptojanin-2 inhibitors for use in the treatment of cancer (2017) |
| ChEMBL | Inhibition of C-Myc/DDK-tagged human recombinant SYNJ1 expressed in HEK293T cells assessed as reduction in 5'-phosphatase activity incubated for 8 mins using fluorescently-labeled PI(3,4)P2 probe and Tapp1 PH-domain as detector protein by fluorescence polarization competitive assay | B | 4.8 | pIC50 | <=15900 | nM | IC50 | WO-2015079413-A2. Synaptojanin-2 inhibitors and uses thereof (2015) |
| SYNJ2/Synaptojanin-2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523129] [GtoPdb: 1462] [UniProtKB: O15056] | ||||||||
| ChEMBL | Inhibition of C-Myc/DDK-tagged human recombinant SYNJ2 expressed in HEK293T cells assessed as reduction in 5'-phosphatase activity incubated for 8 mins using fluorescently-labeled PI(3,4)P2 probe and Tapp1 PH-domain as detector protein by fluorescence polarization competitive assay | B | 5 | pIC50 | 10000 | nM | IC50 | US-20170042857-A1. Synaptojanin-2 inhibitors for use in the treatment of cancer (2017) |
| ChEMBL | Inhibition of C-Myc/DDK-tagged human recombinant SYNJ2 expressed in HEK293T cells assessed as reduction in 5'-phosphatase activity incubated for 8 mins using fluorescently-labeled PI(3,4)P2 probe and Tapp1 PH-domain as detector protein by fluorescence polarization competitive assay | B | 5 | pIC50 | 10000 | nM | IC50 | WO-2015079413-A2. Synaptojanin-2 inhibitors and uses thereof (2015) |
| ChEMBL | Inhibition of recombinant full length C-Myc/DDK-tagged human SYNJ2 expressed in HEK293T cells using PI(3,4,5)P3 as substrate incubated for 8 mins assessed as hydrolysis of PI(3,4,5)P3 to PI(3,4)P2 by fluorescence polarization assay | B | 5 | pIC50 | 10000 | nM | IC50 | US-20170165285-A1. Methods of preventing tumor metastasis, treating and prognosing cancer and identifying agents which are putative metastasis inhibitors (2017) |
| Trypanothione reductase in Trypanosoma cruzi (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5131] [UniProtKB: P28593] | ||||||||
| ChEMBL | Inhibitory constant against recombinant Trypanosoma cruzi trypanothione reductase was determined photometrically at 25 degree C in TR assay buffer (40 mM Hepes, 1 mM EDTA, pH 7.5) | B | 5.7 | pKi | 2000 | nM | Ki | J Med Chem (2005) 48: 4793-4802 [PMID:16033259] |
ChEMBL data shown on this page come from version 36:
Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]
