null
SMILES: Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
InChI Key: InChIKey=IKMDFBPHZNJCSN-UHFFFAOYSA-N
PDB links: 15 PDB IDs match this monomer. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Integrase (Human immunodeficiency virus 1) | BDBM15236 (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | 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 | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM15236 (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | 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 | |||||||||||||
MO15-related protein kinase Pfmrk (Plasmodium falciparum) | BDBM15236 (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) | UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.57E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Walter Reed Army Institute of Research Curated by ChEMBL | Assay Description Inhibition of Plasmodium falciparum cyclin-dependent kinase | J Med Chem 47: 5418-26 (2004) Article DOI: 10.1021/jm040108f BindingDB Entry DOI: 10.7270/Q2BZ66TW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3-oxoacyl-acyl-carrier protein reductase (Plasmodium falciparum) | BDBM15236 (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zurich Curated by ChEMBL | Assay Description Inhibition of FabG | 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 | |||||||||||||
Enoyl-acyl-carrier protein reductase (Plasmodium falciparum) | BDBM15236 (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | 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 | |||||||||||||
3-hydroxyacyl-[acyl-carrier-protein] dehydratase (Plasmodium falciparum) | BDBM15236 (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | 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 | |||||||||||||
Tyrosine-protein kinase SYK (Homo sapiens (Human)) | BDBM15236 (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 5.40E+4 | n/a | n/a | n/a | n/a |
Rigel, Inc. Curated by ChEMBL | Assay Description Inhibition of SYK in human mast cells assessed as reduction in mast cell degranulation | 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 | |||||||||||||
Tyrosine-protein kinase SYK (Homo sapiens (Human)) | BDBM15236 (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | 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 | |||||||||||||
DNA primase TraC (Escherichia coli) | BDBM15236 (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 7.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska-Lincoln Curated by ChEMBL | Assay Description Inhibition of Escherichia coli primase | Bioorg Med Chem 15: 7203-8 (2007) Article DOI: 10.1016/j.bmc.2007.07.057 BindingDB Entry DOI: 10.7270/Q26H4J7X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Arginase (Leishmania amazonensis) | BDBM15236 (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | 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 | |||||||||||||
Microtubule-associated protein tau (Homo sapiens (Human)) | BDBM15236 (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) | PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | 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 | |||||||||||||
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human)) | BDBM15236 (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | 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 | |||||||||||||
Xanthine dehydrogenase/oxidase (Homo sapiens (Human)) | BDBM15236 (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | 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 | |||||||||||||
Aldo-keto reductase family 1 member C21 (Mus musculus) | BDBM15236 (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University Curated by ChEMBL | Assay Description Inhibition of mouse recombinant AKR1C21 | Bioorg Med Chem 16: 3245-54 (2008) Article DOI: 10.1016/j.bmc.2007.12.016 BindingDB Entry DOI: 10.7270/Q2PZ59P2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human)) | BDBM15236 (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University Curated by ChEMBL | Assay Description Inhibition of human recombinant aldose reductase | Bioorg Med Chem 16: 3245-54 (2008) Article DOI: 10.1016/j.bmc.2007.12.016 BindingDB Entry DOI: 10.7270/Q2PZ59P2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aromatase (Homo sapiens (Human)) | BDBM15236 (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
King's College London Curated by ChEMBL | Assay Description Inhibition of human aromatase by fluorometric assay | Bioorg Med Chem 16: 8466-70 (2008) Article DOI: 10.1016/j.bmc.2008.08.034 BindingDB Entry DOI: 10.7270/Q2CV4JN9 | |||||||||||
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...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | 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 | |||||||||||||
G-protein coupled receptor 35 (Homo sapiens (Human)) | BDBM15236 (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 3.02E+3 | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Agonist activity at GPR35 receptor in human HT-29 cells after 10 mins by dynamic mass redistribution assay | 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 | |||||||||||||
G-protein coupled receptor 35 (Homo sapiens (Human)) | BDBM15236 (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.47E+4 | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Agonist activity at GPR35 receptor in human U2OS cells coexpressing Gal4-VP16-TEV assessed as beta arrestin translocation after 5 hrs by beta lactmas... | 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 | |||||||||||||
G-protein coupled receptor 35 (Homo sapiens (Human)) | BDBM15236 (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | 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 | |||||||||||||
DNA gyrase subunit A/B (Escherichia coli (strain K12)) | BDBM15236 (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | n/a | n/a | 7.07E+5 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Assay Description In vitro antibacterial activity was determined as inhibitory concentration causing 50% DNA-gyrase supercoiling inhibition (SCI) | Citation and Details BindingDB Entry DOI: 10.7270/Q2FX7CM7 | |||||||||||
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...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | 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 | |||||||||||||
Heat shock protein HSP 90-beta (Homo sapiens (Human)) | BDBM15236 (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.35E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL | Assay Description Displacement of GM-cy3B from Hsp90 in human SKBR3 cells after 24 hrs by fluorescence polarization assay | J Med Chem 57: 1188-207 (2014) Article DOI: 10.1021/jm401551n BindingDB Entry DOI: 10.7270/Q21J9DRP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom)) | BDBM15236 (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 2.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pretoria Curated by ChEMBL | Assay Description Binding affinity of compound against Phencyclidine receptor by displacement of [3H]TCP | J Nat Prod 81: 49-56 (2018) Article DOI: 10.1021/acs.jnatprod.7b00564 BindingDB Entry DOI: 10.7270/Q2H70JBS | |||||||||||
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...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | 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 | |||||||||||||
Dihydroorotate dehydrogenase (fumarate) (Leishmania major) | BDBM15236 (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 3.16E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of S£o Paulo Curated by ChEMBL | Assay Description Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured... | Eur J Med Chem 157: 852-866 (2018) Article DOI: 10.1016/j.ejmech.2018.08.033 BindingDB Entry DOI: 10.7270/Q2FJ2KFS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydroorotate dehydrogenase (fumarate) (Leishmania major) | BDBM15236 (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 2.99E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of S£o Paulo Curated by ChEMBL | Assay Description Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured... | Eur J Med Chem 157: 852-866 (2018) Article DOI: 10.1016/j.ejmech.2018.08.033 BindingDB Entry DOI: 10.7270/Q2FJ2KFS | |||||||||||
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...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.48E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Barcelona Curated by ChEMBL | Assay Description Inhibition of amyloid beta (1 to 42) (unknown origin) aggregation by Thioflavin-T fluorescence assay | J Nat Prod 80: 278-289 (2017) Article DOI: 10.1021/acs.jnatprod.6b00643 BindingDB Entry DOI: 10.7270/Q2CR5XCM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM15236 (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | 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...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | 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 topoisomerase 2-alpha (Homo sapiens (Human)) | BDBM15236 (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 3.77E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago Curated by ChEMBL | Assay Description Inhibition of human DNA topoisomerase 2 catalytic domain-mediated knotted bacteriophage P4Virl dell0 DNA unknotting by agarose gel electrophoresis | J Nat Prod 58: 217-25 (1995) Article DOI: 10.1021/np50116a009 BindingDB Entry DOI: 10.7270/Q2SQ936B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuraminidase (Influenza A virus) | BDBM15236 (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 7.54E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking Union Medical College Curated by ChEMBL | Assay Description Inhibition of Influenza A Jiangsu/10/2003 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assay | Bioorg Med Chem 16: 7141-7 (2008) Article DOI: 10.1016/j.bmc.2008.06.049 BindingDB Entry DOI: 10.7270/Q2R2145D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuraminidase (Influenza A virus) | BDBM15236 (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 8.26E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking Union Medical College Curated by ChEMBL | Assay Description Inhibition of Influenza A PR/8/34 H1N1 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assay | Bioorg Med Chem 16: 7141-7 (2008) Article DOI: 10.1016/j.bmc.2008.06.049 BindingDB Entry DOI: 10.7270/Q2R2145D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...) | BDBM15236 (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 8.17E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Buenos Aires Curated by ChEMBL | Assay Description Inhibition of Influenza A PR/8/34 H1N1 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assay | Eur J Med Chem 45: 1724-30 (2010) Article DOI: 10.1016/j.ejmech.2010.01.005 BindingDB Entry DOI: 10.7270/Q27P926M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...) | BDBM15236 (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 8.26E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Buenos Aires Curated by ChEMBL | Assay Description Inhibition of Influenza A PR/8/34 H1N1 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assay | Eur J Med Chem 45: 1724-30 (2010) Article DOI: 10.1016/j.ejmech.2010.01.005 BindingDB Entry DOI: 10.7270/Q27P926M | |||||||||||
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...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | 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 | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM15236 (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | 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 | |||||||||||||
Neuraminidase (Influenza A virus) | BDBM15236 (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 4.62E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking Union Medical College Curated by ChEMBL | Assay Description Inhibition of Influenza A Jinan/15/90 H3N2 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assay | Bioorg Med Chem 16: 7141-7 (2008) Article DOI: 10.1016/j.bmc.2008.06.049 BindingDB Entry DOI: 10.7270/Q2R2145D | |||||||||||
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...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | 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 | |||||||||||||
DNA topoisomerase 2-alpha (Homo sapiens (Human)) | BDBM15236 (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article | n/a | n/a | 3.73E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of DNA topoisomerase 2 (unknown origin) | Citation and Details Article DOI: 10.1007/s00044-009-9233-5 BindingDB Entry DOI: 10.7270/Q27M0BVB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA topoisomerase 1 (Homo sapiens (Human)) | BDBM15236 (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article | n/a | n/a | 3.73E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of DNA topoisomerase 1 (unknown origin) | Citation and Details Article DOI: 10.1007/s00044-009-9233-5 BindingDB Entry DOI: 10.7270/Q27M0BVB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-glucosidase MAL62 (Saccharomyces cerevisiae) | BDBM15236 (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) | Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article | n/a | n/a | 5.00E+9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of baker's yeast alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate by spectrophotometry | Citation and Details Article DOI: 10.1007/s00044-011-9938-0 BindingDB Entry DOI: 10.7270/Q29W0JBG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Anthrax toxin receptor 2 (Homo sapiens) | BDBM15236 (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Inhibition of CMG2 (40 to 217) C175A and R40C double mutant (unknown origin) interaction to full length PA E733C mutant expressed in Escherichia coli... | J Med Chem 56: 1940-5 (2013) Article DOI: 10.1021/jm301558t BindingDB Entry DOI: 10.7270/Q2BP05Q3 | |||||||||||
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...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | 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 | |||||||||||||
Protein kinase C zeta type (Rattus norvegicus) | BDBM15236 (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 7.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of PKC in rat brain homogenate using FKKSFKL-NH2 as substrate preincubated for 10 mins followed by substrate addition and measured after 5... | 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 | |||||||||||||
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human)) | BDBM15236 (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | 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 | |||||||||||||
Amyloid-beta precursor protein (Homo sapiens (Human)) | BDBM15236 (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | 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 | |||||||||||||
Inositol hexakisphosphate kinase 2 (Homo sapiens) | BDBM15236 (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | 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 | |||||||||||||
Inositol polyphosphate multikinase (Homo sapiens) | BDBM15236 (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | 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) | ||||||||||||
Nonstructural protein 3 (Zika virus) | BDBM15236 (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | 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 |
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