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SMILES: CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1
InChI Key: InChIKey=HCZKYJDFEPMADG-UHFFFAOYSA-N
PDB links: 3 PDB IDs match this monomer. 3 PDB IDs contain this monomer as substructures. 3 PDB IDs contain 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human)) | BDBM32020 (4-[4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]pyro...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet  | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Basel Curated by ChEMBL | Assay Description Inhibition of human 17beta-HSD2 expressed in HEK293 cell lysates incubated for 10 mins using [2,4,6,7-3H]-estradiol and NAD+ by scintillation countin... | J Nat Prod 80: 965-974 (2017) Article DOI: 10.1021/acs.jnatprod.6b00950 BindingDB Entry DOI: 10.7270/Q2XD148R | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human)) | BDBM32020 (4-[4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]pyro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL | Assay Description Inhibition of human 5-lipoxygenase using arachidonic acid as substrate pretreated for 10 mins followed by substrate and ATP addition and measured aft... | Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH | |||||||||||
| More data for this Ligand-Target Pair |  3D Structure (crystal) | ||||||||||||
| Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human)) | BDBM32020 (4-[4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]pyro...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 3.55E+4 | n/a | n/a | n/a | n/a |
University of Hull Curated by ChEMBL | Assay Description Agonist activity at human TRPA1 expressed in HEK293 cells assessed as increase in calcium influx by Fluo-4-AM dye based fluorescence assay | Eur J Med Chem 170: 141-156 (2019) Article DOI: 10.1016/j.ejmech.2019.02.074 BindingDB Entry DOI: 10.7270/Q2F76GWS | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human)) | BDBM32020 (4-[4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]pyro...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 3.50E+4 | n/a | n/a | n/a | n/a |
University of Hull Curated by ChEMBL | Assay Description Agonist activity at human TRPA1 expressed in HEK293 cells assessed as increase in calcium influx by Fluo-4-AM dye based fluorescence assay | Eur J Med Chem 170: 141-156 (2019) Article DOI: 10.1016/j.ejmech.2019.02.074 BindingDB Entry DOI: 10.7270/Q2F76GWS | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human)) | BDBM32020 (4-[4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]pyro...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 4.90E+3 | n/a | n/a | n/a | n/a |
University of Hull Curated by ChEMBL | Assay Description Agonist activity at human TRPA1 expressed in HEK293 cells assessed as increase in calcium influx by Calcium-5 dye based fluorescence assay | Eur J Med Chem 170: 141-156 (2019) Article DOI: 10.1016/j.ejmech.2019.02.074 BindingDB Entry DOI: 10.7270/Q2F76GWS | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Polyunsaturated fatty acid lipoxygenase ALOX15B (Homo sapiens (Human)) | BDBM32020 (4-[4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]pyro...) | PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.36E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Osaka University Curated by ChEMBL | Assay Description Inhibition of human recombinant N-terminal His-tagged 15-LOX2 expressed in Escherichia coli using arachidonic acid as substrate preincubated for 5 mi... | J Nat Prod 82: 3311-3320 (2019) Article DOI: 10.1021/acs.jnatprod.9b00538 BindingDB Entry DOI: 10.7270/Q2F1936B | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Polyunsaturated fatty acid lipoxygenase ALOX15B (Homo sapiens (Human)) | BDBM32020 (4-[4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]pyro...) | PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.36E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Osaka University Curated by ChEMBL | Assay Description Inhibition of human recombinant N-terminal His-tagged 15-LOX2 expressed in Escherichia coli using arachidonic acid as substrate preincubated for 5 mi... | J Nat Prod 82: 3311-3320 (2019) Article DOI: 10.1021/acs.jnatprod.9b00538 BindingDB Entry DOI: 10.7270/Q2F1936B | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Lipoxygenase (Glycine max) | BDBM32020 (4-[4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]pyro...) | UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
IQOG, CSIC Curated by ChEMBL | Assay Description Inhibition of soybean lipoxygenase using sodium linoleate as substrate by UV-based analysis | J Med Chem 62: 2184-2201 (2019) Article DOI: 10.1021/acs.jmedchem.8b01987 BindingDB Entry DOI: 10.7270/Q2MC93HC | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Polyphenol oxidase 1 (Agaricus bisporus (White button mushroom)) | BDBM32020 (4-[4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]pyro...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars | US Patent | n/a | n/a | 7.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Unigen, Inc. US Patent | Assay Description A tyrosinase inhibition assay was carried out using the method reported by Jones et al. (2002) Pigment. Cell Res. 15:335. Using this method, the conv... | US Patent US10857082 (2020) BindingDB Entry DOI: 10.7270/Q24J0J6P | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human)) | BDBM32020 (4-[4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]pyro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 97 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of human 5-Lipoxygenase using H2DCFDA as substrate preincubated for 5 mins and measured by Spectrophotometric assay | Citation and Details Article DOI: 10.1016/j.ejmech.2020.112090 BindingDB Entry DOI: 10.7270/Q2P272WN | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| Alpha-synuclein (Homo sapiens (Human)) | BDBM32020 (4-[4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]pyro...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of alpha-synuclein aggregation (unknown origin) incubated for 8 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 | |||||||||||||
| Alpha-synuclein (Homo sapiens (Human)) | BDBM32020 (4-[4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]pyro...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars | 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 | |||||||||||||
| Heat shock protein HSP 90-alpha (Homo sapiens (Human)) | BDBM32020 (4-[4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]pyro...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars | PCBioAssay | n/a | n/a | 2.62E+3 | n/a | n/a | n/a | n/a | 7.4 | 23 |
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay | Assay Description A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2Q23XM6 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...) | BDBM32020 (4-[4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]pyro...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars | PCBioAssay | n/a | n/a | 664 | n/a | n/a | n/a | n/a | 8.0 | 23 |
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay | Assay Description A fluorescence resonance energy transfer assay is developed in 96-well and 384-well microplate formats with robotic manipulation to enable high-throu... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2H70D5W | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
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