Found 99 hits of ic50 for monomerid = 15236 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM15236
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of AChE (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-012-0353-y BindingDB Entry DOI: 10.7270/Q29Z97T4 |
More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM15236
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| | n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Compound was evaluated for binding affinity against Opioid receptor delta 1 in rat brain membranes using [125I]-D-Ala2-Leu5-enkephalin |
Citation and Details
|
More data for this Ligand-Target Pair | |
Alpha-synuclein
(Homo sapiens (Human)) | BDBM15236
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | PDB
KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of alpha-synuclein fibril formation (unknown origin) incubated for 24 hrs to 7 days by thioflavin S based fluorescence assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2019.01.045 BindingDB Entry DOI: 10.7270/Q2H998V9 |
More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM15236
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Fraunhofer Institute for Translational Medicine and Pharmacology (ITMP) and Fraunhofer Cluster of Excellence for Immune mediated diseases (CIMD)
| Assay Description Primary assay principle based on quenched FRET peptide substrate of SARS-CoV-2 3CL-Pro (lhs). Inhibiting compounds reduce fluorescence signal relativ... |
bioRxiv 2020: (2020)
Article DOI: 10.1101/2020.12.16.422677
BindingDB Entry DOI: 10.7270/Q26M39VR |
More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM15236
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Fraunhofer Institute for Translational Medicine and Pharmacology (ITMP) and Fraunhofer Cluster of Excellence for Immune mediated diseases (CIMD)
| Assay Description Primary assay principle based on quenched FRET peptide substrate of SARS-CoV-2 3CL-Pro (lhs). Inhibiting compounds reduce fluorescence signal relativ... |
bioRxiv 2020: (2020)
Article DOI: 10.1101/2020.12.16.422677
BindingDB Entry DOI: 10.7270/Q26M39VR |
More data for this Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM15236
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Russian Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of human APE1 preincubated for 15 mins followed by substrate addition by HTS assay |
Bioorg Med Chem 25: 2531-2544 (2017)
Article DOI: 10.1016/j.bmc.2017.01.028 BindingDB Entry DOI: 10.7270/Q2P55R4B |
More data for this Ligand-Target Pair | |
DNA topoisomerase 2-alpha
(Homo sapiens (Human)) | BDBM15236
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | PDB
UniProtKB/SwissProt
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| Article
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of Homo sapiens (human) DNA topoisomerase 2 |
Citation and Details
Article DOI: 10.1007/s00044-009-9233-5 BindingDB Entry DOI: 10.7270/Q27M0BVB |
More data for this Ligand-Target Pair | |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM15236
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | PDB MMDB
UniProtKB/TrEMBL
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| Article PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zurich
Curated by ChEMBL
| Assay Description Inhibition of FabI |
J Med Chem 49: 3345-53 (2006)
Article DOI: 10.1021/jm0600545 BindingDB Entry DOI: 10.7270/Q2639QJS |
More data for this Ligand-Target Pair | |
Lactoylglutathione lyase
(Homo sapiens (Human)) | BDBM15236
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | PDB
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
Tokyo University of Science
Curated by ChEMBL
| Assay Description Inhibition of recombinant human His-tagged glyoxalase 1 expressed in Escherichia coli BL21 assessed as formation of S-D-lactoylglutathione after 5 mi... |
Bioorg Med Chem Lett 21: 4337-42 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.046 BindingDB Entry DOI: 10.7270/Q2WW7J38 |
More data for this Ligand-Target Pair | |
Lactoylglutathione lyase
(Homo sapiens (Human)) | BDBM15236
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | PDB
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
Tokyo University of Science
Curated by ChEMBL
| Assay Description Inhibition of human recombinant His-tagged Glyoxalase 1 expressed in Sf21-Baculovirus system |
Bioorg Med Chem 16: 3969-75 (2008)
Article DOI: 10.1016/j.bmc.2008.01.031 BindingDB Entry DOI: 10.7270/Q2Z037XF |
More data for this Ligand-Target Pair | |
Integrase
(Human immunodeficiency virus 1) | BDBM15236
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | PDB MMDB
UniProtKB/TrEMBL
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| PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Tested for inhibition of HIV-1 integrase, under 1 uM for the strand transfer |
J Med Chem 43: 2100-14 (2000)
BindingDB Entry DOI: 10.7270/Q27D2VTS |
More data for this Ligand-Target Pair | |
Inositol hexakisphosphate kinase 2
(Homo sapiens) | BDBM15236
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Environmental Health Sciences
Curated by ChEMBL
| Assay Description Inhibition of human IP6K2 using insP6 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assay |
J Med Chem 62: 1443-1454 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01593 BindingDB Entry DOI: 10.7270/Q2FF3WRW |
More data for this Ligand-Target Pair | |
PC4 and SFRS1-interacting protein
(Homo sapiens (Human)) | BDBM15236
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | PDB MMDB
Reactome pathway KEGG
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| PCBioAssay
| n/a | n/a | 758 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: Ohio State University Assay Provider: Mam... |
PubChem Bioassay (2014)
BindingDB Entry DOI: 10.7270/Q2KD1WKS |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM15236
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | PDB MMDB
KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 776 | n/a | n/a | n/a | n/a | n/a | n/a |
Loma Linda University School of Medicine
Curated by ChEMBL
| Assay Description Inhibition of PIM1 kinase |
Bioorg Med Chem 15: 6463-73 (2007)
Checked by Author Article DOI: 10.1016/j.bmc.2007.06.025 BindingDB Entry DOI: 10.7270/Q2C24W4S |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM15236
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | PDB MMDB
KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 780 | n/a | n/a | n/a | n/a | 7.0 | 30 |
Loma Linda University
| Assay Description The 96-well flat-bottomed plates were coated with recombinant GST-BAD. After the plates were blocked, the reaction buffer containing test compound an... |
Mol Cancer Ther 6: 163-72 (2007)
Article DOI: 10.1158/1535-7163.MCT-06-0397 BindingDB Entry DOI: 10.7270/Q2N8783K |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM15236
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | PDB MMDB
KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 780 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of recombinant PIM1 (unknown origin) expressed in Escherichia coli after 60 mins by ELISA |
Bioorg Med Chem 27: 677-685 (2019)
Article DOI: 10.1016/j.bmc.2019.01.027 BindingDB Entry DOI: 10.7270/Q2CF9TG4 |
More data for this Ligand-Target Pair | |
Protein E6
(Human papillomavirus type 16) | BDBM15236
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | PDB MMDB
KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 850 | n/a | n/a | n/a | n/a | n/a | n/a |
Loma Linda University School of Medicine
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged Human papillomavirus 16 protein E6 interaction with His-tagged human caspase 8 expressed in Escherichia coli after 1 hr incu... |
Bioorg Med Chem Lett 22: 2125-9 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.145 BindingDB Entry DOI: 10.7270/Q2DV1KW1 |
More data for this Ligand-Target Pair | |
Casein kinase II subunit alpha 3
(Homo sapiens) | BDBM15236
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | PDB
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CK2 expressed in Escherichia coli using RRRADDSDDDDD as substrate after 10 mins in presence of [gamma-32P]ATP |
Bioorg Med Chem 27: 677-685 (2019)
Article DOI: 10.1016/j.bmc.2019.01.027 BindingDB Entry DOI: 10.7270/Q2CF9TG4 |
More data for this Ligand-Target Pair | |
ELAV-like protein 3
(Homo sapiens) | BDBM15236
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | PDB
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pavia
Curated by ChEMBL
| Assay Description Inhibition of ELAV3 (unknown origin)-artificial ARE complex formation after 30 mins in the presence of biotin-labeled RNA probe by chemiluminescence ... |
J Med Chem 60: 8257-8267 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01871 BindingDB Entry DOI: 10.7270/Q2377BWD |
More data for this Ligand-Target Pair | |
Inositol polyphosphate multikinase
(Homo sapiens) | BDBM15236
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Environmental Health Sciences
Curated by ChEMBL
| Assay Description Inhibition of human IPMK using insP3 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assay |
J Med Chem 62: 1443-1454 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01593 BindingDB Entry DOI: 10.7270/Q2FF3WRW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
PC4 and SFRS1-interacting protein
(Homo sapiens (Human)) | BDBM15236
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| PCBioAssay
| n/a | n/a | 1.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: Ohio State University Assay Provider: Mam... |
PubChem Bioassay (2014)
BindingDB Entry DOI: 10.7270/Q2Q52N9H |
More data for this Ligand-Target Pair | |
Microtubule-associated protein tau
(Homo sapiens (Human)) | BDBM15236
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | PDB
KEGG
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| Article PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Humboldt-Universit£t zu Berlin
Curated by ChEMBL
| Assay Description Inhibition of human recombinant brain tau protein (412 amino acid residues) filament assembly expressed in Escherichia coli BL21(DE3) by electron mic... |
J Med Chem 56: 4135-55 (2013)
Article DOI: 10.1021/jm3017317 BindingDB Entry DOI: 10.7270/Q2HT2QQD |
More data for this Ligand-Target Pair | |
Nonstructural protein 3
(Zika virus) | BDBM15236
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/TrEMBL
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| Article PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by ChEMBL
| Assay Description Inhibition of Zika virus Asian/8375 NS2B (48 to 100 residues)-NS3 (14 to 185 residues) expressed in Escherichia coli BL21 (DE3) Star cells preincubat... |
J Med Chem 63: 470-489 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00775 BindingDB Entry DOI: 10.7270/Q2RX9GFS |
More data for this Ligand-Target Pair | |
1-deoxy-D-xylulose 5-phosphate reductoisomerase
(Escherichia coli) | BDBM15236
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | PDB MMDB
KEGG
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| Article PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universite de Strasbourg
| Assay Description H-DXR was pre-incubated during 2 min in the presence of the inhibitors at different concentrations and DXP (480 µM). NADPH (160 µM final concentratio... |
Bioorg Chem 59: 140-4 (2015)
Article DOI: 10.1016/j.bioorg.2015.02.008 BindingDB Entry DOI: 10.7270/Q2XS5T4J |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM15236
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 1.64E+3 | n/a | n/a | n/a | n/a | n/a | 37 |
Eberhard Karls University of Tuebingen
| Assay Description The p38alpha reaction was carried out by using kinase (12ng per well), ATP (100uM) and incubated for 60 min at 37 C. For the JNK3 assay, kinase (10n... |
Chembiochem 11: 2579-88 (2010)
Article DOI: 10.1002/cbic.201000487 BindingDB Entry DOI: 10.7270/Q21C1VDT |
More data for this Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM15236
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | PDB
NCI pathway Reactome pathway KEGG
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| Article PubMed
| n/a | n/a | 1.69E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dongguk University-Seoul
Curated by ChEMBL
| Assay Description Inhibition of recombinant FLT3 (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 23: 1768-70 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.049 BindingDB Entry DOI: 10.7270/Q2H70H54 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM15236
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 1.80E+3 | 170 | n/a | n/a | n/a | 7.2 | 20 |
MRC
| Assay Description Binding was detected as a change in the intrinsic tryptophan fluorescence of the PI3K upon the addition of inhibitor. The inhibitor was incubated wit... |
Mol Cell 6: 909-19 (2000)
Article DOI: 10.1016/s1097-2765(05)00089-4 BindingDB Entry DOI: 10.7270/Q22F7KPC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Integrase
(Human immunodeficiency virus 1) | BDBM15236
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | PDB MMDB
UniProtKB/TrEMBL
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| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of HIV-1 integrase, under 1 uM for the 3''-preprocessing |
J Med Chem 43: 2100-14 (2000)
BindingDB Entry DOI: 10.7270/Q27D2VTS |
More data for this Ligand-Target Pair | |
3-hydroxyacyl-[acyl-carrier-protein] dehydratase
(Plasmodium falciparum) | BDBM15236
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | PDB MMDB
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| Article PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zurich
Curated by ChEMBL
| Assay Description Inhibition of FabZ |
J Med Chem 49: 3345-53 (2006)
Article DOI: 10.1021/jm0600545 BindingDB Entry DOI: 10.7270/Q2639QJS |
More data for this Ligand-Target Pair | |
Arginase
(Leishmania amazonensis) | BDBM15236
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | PDB
UniProtKB/TrEMBL
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| Article PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de S£o Carlos
Curated by ChEMBL
| Assay Description Inhibition of Leishmania amazonensis recombinant arginase expressed in Escherichia coli Rosetta (DE3) pLysS using L-arginine as substrate incubated f... |
J Nat Prod 77: 392-6 (2014)
Article DOI: 10.1021/np400717m BindingDB Entry DOI: 10.7270/Q2VX0J09 |
More data for this Ligand-Target Pair | |
G-protein coupled receptor 35
(Homo sapiens (Human)) | BDBM15236
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | PDB
KEGG
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| Article PubMed
| n/a | n/a | 2.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Desensitization of GPR35 receptor in human HT-29 cells assessed as inhibition of zaprinast-induced dynamic mass redistribution after 10 mins |
ACS Med Chem Lett 3: 165-169 (2012)
Article DOI: 10.1021/ml2003058 BindingDB Entry DOI: 10.7270/Q2DB82W9 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM15236
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | PDB MMDB
NCI pathway Reactome pathway KEGG
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| Article PubMed
| n/a | n/a | 2.24E+3 | n/a | n/a | n/a | n/a | n/a | 37 |
Eberhard Karls University of Tuebingen
| Assay Description The p38alpha reaction was carried out by using kinase (12ng per well), ATP (100uM) and incubated for 60 min at 37 C. For the JNK3 assay, kinase (10n... |
Chembiochem 11: 2579-88 (2010)
Article DOI: 10.1002/cbic.201000487 BindingDB Entry DOI: 10.7270/Q21C1VDT |
More data for this Ligand-Target Pair | |
Xanthine dehydrogenase/oxidase
(Homo sapiens (Human)) | BDBM15236
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | PDB MMDB
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| Article PubMed
| n/a | n/a | 2.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Antwerp
Curated by ChEMBL
| Assay Description Inhibition of xanthine oxidase assessed as decrease in uric acid production by spectrophotometry |
J Nat Prod 61: 71-6 (1998)
Article DOI: 10.1021/np970237h BindingDB Entry DOI: 10.7270/Q29C6Z93 |
More data for this Ligand-Target Pair | |
DNA dC->dU-editing enzyme APOBEC-3G
(Homo sapiens (Human)) | BDBM15236
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | PDB MMDB
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| n/a | n/a | 2.39E+3 | n/a | n/a | n/a | n/a | n/a | 25 |
Burnham Center for Chemical Genomics
Curated by PubChem BioAssay
| Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C... |
PubChem Bioassay (2011)
BindingDB Entry DOI: 10.7270/Q2HQ3XD6 |
More data for this Ligand-Target Pair | |
Integrase
(Human immunodeficiency virus 1) | BDBM15236
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | PDB MMDB
UniProtKB/TrEMBL
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| PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description IC50 was measured as concentration required to inhibit 50% of HIV-integrase integration |
J Med Chem 38: 890-7 (1995)
BindingDB Entry DOI: 10.7270/Q2959J6V |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM15236
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | PDB MMDB
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| Article
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of BACE1 (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-012-0353-y BindingDB Entry DOI: 10.7270/Q29Z97T4 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM15236
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | PDB MMDB
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| Article PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of BACE1 (unknown origin) using Rh-EVNNLDAEFK fluorogenic peptide as substrate incubated for 3 hrs by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jnatprod.0c01329 BindingDB Entry DOI: 10.7270/Q2708571 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM15236
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | PDB MMDB
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| | n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Interstitial collagenase [100-268]
(Homo sapiens (Human)) | BDBM15236
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | PDB
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| Article PubMed
| n/a | n/a | 2.92E+3 | n/a | n/a | n/a | n/a | 7.5 | n/a |
East China University of Science and Technology
| Assay Description The activity of cd-MMP-1 was measured using a fluorescence-based assay. It was performed in white 96-well half area microplate (Greiner) in a final v... |
J Enzyme Inhib Med Chem 28: 741-6 (2013)
Article DOI: 10.3109/14756366.2012.681650 BindingDB Entry DOI: 10.7270/Q2PC3196 |
More data for this Ligand-Target Pair | |
Microtubule-associated protein tau
(Homo sapiens (Human)) | BDBM15236
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | PDB
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| Article PubMed
| n/a | n/a | <3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Tokyo Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of His-tagged human brain tau 3R MBD aggregation after 16 hrs by thioflavin T fluorescence method |
Eur J Med Chem 85: 228-34 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.095 BindingDB Entry DOI: 10.7270/Q2RJ4M4Q |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 4E
(Homo sapiens (Human)) | BDBM15236
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | PDB MMDB
KEGG
UniProtKB/SwissProt
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Patents
Similars
| Article PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Inhibition of JMJD2E |
Bioorg Med Chem 19: 3625-36 (2011)
Article DOI: 10.1016/j.bmc.2011.01.046 BindingDB Entry DOI: 10.7270/Q23X870S |
More data for this Ligand-Target Pair | |
Lactoylglutathione lyase
(Homo sapiens (Human)) | BDBM15236
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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| Article PubMed
| n/a | n/a | 3.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human N-terminal Met and 6-His-tagged Glyoxalase-1 (Ala2 to Met184 residues) using glutathione and methylglyoxal as substra... |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115608 BindingDB Entry DOI: 10.7270/Q2C53QJR |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM15236
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 3.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
| Assay Description The kinase assay was performed using the EMD Millipore KinaseProfiler service assay protocol. Aurora B kinase was supplied by EMD Millipore Corp. The... |
Chem Biol Drug Des 85: 574-85 (2015)
Article DOI: 10.1111/cbdd.12445 BindingDB Entry DOI: 10.7270/Q2M61J08 |
More data for this Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM15236
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
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| Article PubMed
| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Meiji Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human amyloid beta (1 to 40) assessed as reduction in aggregation measured after 24 hrs by ThT fluorescence assay |
Bioorg Med Chem Lett 29: 1994-1997 (2019)
Article DOI: 10.1016/j.bmcl.2019.05.020 BindingDB Entry DOI: 10.7270/Q2Q81HGR |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM15236
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | PDB MMDB
KEGG
UniProtKB/SwissProt
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Similars
| Article PubMed
| n/a | n/a | 4.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human recombinant BACE-1 expressed in Escherichia coli using panvera peptide as a substrate incubated for 1 hr by fluorescence analysis |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113779 BindingDB Entry DOI: 10.7270/Q2TB1BQF |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM15236
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 4.72E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Jordan
Curated by ChEMBL
| Assay Description Inhibition of PI3Kgamma (unknown origin) assessed as decrease in fluorescence intensity using phosphorylated substrate |
Eur J Med Chem 84: 454-65 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.056 BindingDB Entry DOI: 10.7270/Q2057HM8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM15236
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
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| Article PubMed
| n/a | n/a | 6.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rigel, Inc.
Curated by ChEMBL
| Assay Description Inhibition of SYK |
J Med Chem 55: 3614-43 (2012)
Article DOI: 10.1021/jm201271b BindingDB Entry DOI: 10.7270/Q2NZ88RC |
More data for this Ligand-Target Pair | |
Huntingtin
(Homo sapiens (Human)) | BDBM15236
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | PDB
KEGG
UniProtKB/SwissProt
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| PCBioAssay
| n/a | n/a | 7.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| |
PubChem Bioassay (2013)
BindingDB Entry DOI: 10.7270/Q2N58K09 |
More data for this Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM15236
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 7.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Meiji Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human amyloid beta (1 to 40) aggregation after 24 hrs by ThT fluorescence assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126808 BindingDB Entry DOI: 10.7270/Q2668HQ6 |
More data for this Ligand-Target Pair | |
Integrase
(Human immunodeficiency virus 1) | BDBM15236
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | PDB MMDB
UniProtKB/TrEMBL
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| PubMed
| n/a | n/a | 7.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description IC50 was measured as concentration required to inhibit 50% of HIV-integrase cleavage |
J Med Chem 38: 890-7 (1995)
BindingDB Entry DOI: 10.7270/Q2959J6V |
More data for this Ligand-Target Pair | |