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SMILES: Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
InChI Key: InChIKey=IQPNAANSBPBGFQ-UHFFFAOYSA-N
PDB links: 13 PDB IDs match this monomer. 12 PDB IDs contain this monomer as substructures. 12 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 7 (Homo sapiens (Human)) | BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet  | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 4.70 | -11.4 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Aristotle University of Thessaloniki Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa... | Bioorg Med Chem 23: 7219-25 (2015) Article DOI: 10.1016/j.bmc.2015.10.018 BindingDB Entry DOI: 10.7270/Q2862J84 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cytochrome P450 1B1 (Homo sapiens (Human)) | BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Crete Curated by ChEMBL | Assay Description Inhibition of CYP1B1 EROD activity assessed as inhibition of deethylation of 7-ethoxyresorufin to resorufin | Bioorg Med Chem 19: 2842-9 (2011) Article DOI: 10.1016/j.bmc.2011.03.042 BindingDB Entry DOI: 10.7270/Q2V69JXK | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 60 | -9.85 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Aristotle University of Thessaloniki Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration ass... | Bioorg Med Chem 23: 7219-25 (2015) Article DOI: 10.1016/j.bmc.2015.10.018 BindingDB Entry DOI: 10.7270/Q2862J84 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Carbonic anhydrase 4 (Homo sapiens (Human)) | BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 293 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 4 | Bioorg Med Chem 23: 7219-25 (2015) Article DOI: 10.1016/j.bmc.2015.10.018 BindingDB Entry DOI: 10.7270/Q2862J84 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 740 | n/a | n/a | n/a | n/a | n/a | n/a | 7.4 | n/a |
Ondokuz Mayis University | Assay Description Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ... | J Enzyme Inhib Med Chem 28: 283-8 (2013) Article DOI: 10.3109/14756366.2011.643303 BindingDB Entry DOI: 10.7270/Q2QR4W1F | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 3-oxoacyl-acyl-carrier protein reductase (Plasmodium falciparum) | BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zurich Curated by ChEMBL | Assay Description Inhibition of FabG in presence of NADPH | 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 | |||||||||||||
| Cytochrome P450 1A1 (Homo sapiens (Human)) | BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 890 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Crete Curated by ChEMBL | Assay Description Inhibition of CYP1A1 EROD activity assessed as inhibition of deethylation of 7-ethoxyresorufin to resorufin | Bioorg Med Chem 19: 2842-9 (2011) Article DOI: 10.1016/j.bmc.2011.03.042 BindingDB Entry DOI: 10.7270/Q2V69JXK | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | 1.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University Curated by ChEMBL | Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in rat brain cortex membrane in presence of 0.5 mM GTP | J Nat Prod 63: 315-7 (2000) BindingDB Entry DOI: 10.7270/Q2SB46M8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | 1.66E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University Curated by ChEMBL | Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in rat brain cortex membrane | J Nat Prod 63: 315-7 (2000) BindingDB Entry DOI: 10.7270/Q2SB46M8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 3-oxoacyl-acyl-carrier protein reductase (Plasmodium falciparum) | BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zurich Curated by ChEMBL | Assay Description Inhibition of FabG in presence of acetoacetyl-CoA | 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 | |||||||||||||
| Xanthine dehydrogenase/oxidase (Bos taurus (Bovine)) | BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of bovine xanthine oxidase | J Nat Prod 72: 725-31 (2009) Article DOI: 10.1021/np8007123 BindingDB Entry DOI: 10.7270/Q26D5T1W | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Enoyl-acyl-carrier protein reductase (Plasmodium falciparum) | BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 2.10E+3 | n/a | n/a | 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 | |||||||||||||
| Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.4 | n/a |
Ondokuz Mayis University | Assay Description Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ... | J Enzyme Inhib Med Chem 28: 283-8 (2013) Article DOI: 10.3109/14756366.2011.643303 BindingDB Entry DOI: 10.7270/Q2QR4W1F | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Tyrosine-protein kinase Yes (Homo sapiens (Human)) | BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 2.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
West China Hospital of Sichuan University Curated by ChEMBL | Assay Description Inhibition of YES (unknown origin) | Eur J Med Chem 166: 186-196 (2019) Article DOI: 10.1016/j.ejmech.2019.01.043 BindingDB Entry DOI: 10.7270/Q20C50BS | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cytochrome P450 1A1 (Homo sapiens (Human)) | BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratory of Medicinal Chemistry, Endocrinology and Nephrology Unit, CHU de Québec - Research Center, Québec, Québec, Canada; Department of Molecular Medicine, Faculty of Medicine, Université Laval, Curated by ChEMBL | Assay Description Inhibition of recombinant human CYP1A1 expressed in Escherichia coli DH5alpha coexpressing human NADPH-cytochrome P450 reductase in using 7-ethoxyres... | Eur J Med Chem 135: 296-306 (2017) Article DOI: 10.1016/j.ejmech.2017.04.042 BindingDB Entry DOI: 10.7270/Q26Q20QW | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Xanthine dehydrogenase/oxidase (Homo sapiens (Human)) | BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University Curated by ChEMBL | Assay Description Inhibition of xanthine oxidase (unknown origin) | Eur J Med Chem 84: 206-39 (2014) Article DOI: 10.1016/j.ejmech.2014.07.013 BindingDB Entry DOI: 10.7270/Q2GH9KMN | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 3.69E+3 | -7.41 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Aristotle University of Thessaloniki Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa... | Bioorg Med Chem 23: 7219-25 (2015) Article DOI: 10.1016/j.bmc.2015.10.018 BindingDB Entry DOI: 10.7270/Q2862J84 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Carbonic anhydrase 4 (Homo sapiens (Human)) | BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.4 | n/a |
Ondokuz Mayis University | Assay Description Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ... | J Enzyme Inhib Med Chem 28: 283-8 (2013) Article DOI: 10.3109/14756366.2011.643303 BindingDB Entry DOI: 10.7270/Q2QR4W1F | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Carbonic anhydrase 3 (Bos taurus (Cattle)) | BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.4 | n/a |
Ondokuz Mayis University | Assay Description Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ... | J Enzyme Inhib Med Chem 28: 283-8 (2013) Article DOI: 10.3109/14756366.2011.643303 BindingDB Entry DOI: 10.7270/Q2QR4W1F | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Enoyl-[acyl-carrier-protein] reductase [NADH] FabI (Escherichia coli) | BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 7.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Huazhong Agricultural University Curated by ChEMBL | Assay Description Inhibition of Escherichia coli MG1655 enoyl-ACP reductase overexpressed in Escherichia coli M15 assessed as oxidation of NADH to NAD+ after 5 mins | Bioorg Med Chem Lett 20: 56-9 (2010) Article DOI: 10.1016/j.bmcl.2009.11.042 BindingDB Entry DOI: 10.7270/Q2MP547S | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | >1.00E+4 | >-6.82 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Aristotle University of Thessaloniki Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa... | Bioorg Med Chem 23: 7219-25 (2015) Article DOI: 10.1016/j.bmc.2015.10.018 BindingDB Entry DOI: 10.7270/Q2862J84 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Neutrophil elastase (Homo sapiens (Human)) | BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 1.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL | Assay Description Noncompetitive inhibition of human neutrophil elastase using varying levels of MeOSuc-AAPV-pNA as substrate measured after 30 mins by double-reciproc... | J Nat Prod 80: 2659-2665 (2017) Article DOI: 10.1021/acs.jnatprod.7b00325 BindingDB Entry DOI: 10.7270/Q2RX9FK5 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 3-hydroxyacyl-[acyl-carrier-protein] dehydratase (Plasmodium falciparum) | BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 1.15E+4 | n/a | n/a | 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 | |||||||||||||
| Acetylcholinesterase (Homo sapiens (Human)) | BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 6.58E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute for Medical Research and Occupational Health Curated by ChEMBL | Assay Description Inhibition of human recombinant AChE by Ellman's method | Eur J Med Chem 45: 186-92 (2010) Article DOI: 10.1016/j.ejmech.2009.09.041 BindingDB Entry DOI: 10.7270/Q2BP03Q8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean)) | BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 1.22E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade do Porto Curated by ChEMBL | Assay Description Uncompetitive inhibition of soybean LOX-1 using linoleic acid as substrate preincubated for 5 mins followed by substrate addition by Lineweaver-Burk ... | Eur J Med Chem 72: 137-45 (2014) Article DOI: 10.1016/j.ejmech.2013.11.030 BindingDB Entry DOI: 10.7270/Q27H1M2P | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cholinesterase (Homo sapiens (Human)) | BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 1.66E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute for Medical Research and Occupational Health Curated by ChEMBL | Assay Description Inhibition of human plasma BChE by Ellman's method | Eur J Med Chem 45: 186-92 (2010) Article DOI: 10.1016/j.ejmech.2009.09.041 BindingDB Entry DOI: 10.7270/Q2BP03Q8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle)) | BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 754 | n/a | n/a | n/a | n/a | n/a | n/a |
Xiangtan University Curated by ChEMBL | Assay Description Inhibition of bovine lens aldose reductase using DL-glyceraldehyde as substrate assessed as NADPH oxidation measured for 10 mins by spectrophotometri... | Bioorg Med Chem 21: 4301-10 (2013) Article DOI: 10.1016/j.bmc.2013.04.066 BindingDB Entry DOI: 10.7270/Q2BZ67GT | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Aldo-keto reductase family 1 member B1 (Homo sapiens (Human)) | BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Xiangtan University Curated by ChEMBL | Assay Description Inhibition of human recombinant aldose reductase | Bioorg Med Chem 21: 4301-10 (2013) Article DOI: 10.1016/j.bmc.2013.04.066 BindingDB Entry DOI: 10.7270/Q2BZ67GT | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cyclin homolog/dependent kinase 6 (Homo sapiens (Human)-Saimiriine herpesvirus 2) | BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL 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 | 7.0 | 30 |
Lawrence Berkeley National Laboratory | Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32... | J Med Chem 48: 737-43 (2005) Article DOI: 10.1021/jm049353p BindingDB Entry DOI: 10.7270/Q2M61HG4 | |||||||||||
| More data for this Ligand-Target Pair |  3D Structure (docked) | ||||||||||||
| Cyclin-dependent kinase 5 activator 1 [99-307] (Homo sapiens (Human)) | BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | 7.0 | 30 |
Lawrence Berkeley National Laboratory | Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32... | J Med Chem 48: 737-43 (2005) Article DOI: 10.1021/jm049353p BindingDB Entry DOI: 10.7270/Q2M61HG4 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish)) | BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 6.20E+3 | n/a | n/a | n/a | n/a | 7.0 | 30 |
Lawrence Berkeley National Laboratory | Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32... | J Med Chem 48: 737-43 (2005) Article DOI: 10.1021/jm049353p BindingDB Entry DOI: 10.7270/Q2M61HG4 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Glycogen synthase kinase-3 beta (Rattus norvegicus (rat)) | BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | 30 |
Lawrence Berkeley National Laboratory | Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32... | J Med Chem 48: 737-43 (2005) Article DOI: 10.1021/jm049353p BindingDB Entry DOI: 10.7270/Q2M61HG4 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Alpha-amylase 1A (Homo sapiens (Human)) | BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.84E+4 | n/a | n/a | n/a | n/a | 6.0 | 22 |
Nestle Research Center | Assay Description The assay was carried out at room temperature for 10 min with salivary alpha-amylase, starch, and test compounds. The reducing sugar was determined b... | J Med Chem 51: 3555-61 (2008) Article DOI: 10.1021/jm800115x BindingDB Entry DOI: 10.7270/Q237771Z | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean)) | BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta | Assay Description The lipoxygenase inhibitor screening assay detects and measures the hydroperoxides produced in the lipoxygenation reaction using a purified lipoxygen... | J Med Chem 49: 1668-83 (2006) Article DOI: 10.1021/jm0510474 BindingDB Entry DOI: 10.7270/Q2DV1H5S | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Serine/threonine-protein kinase pim-1 (Homo sapiens (Human)) | BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.60E+3 | 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 | |||||||||||||
| POsterior Segregation (Caenorhabditis elegans) | BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) | PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PCBioAssay | n/a | n/a | n/a | n/a | 6.04E+4 | n/a | n/a | n/a | n/a |
Broad Institute Curated by PubChem BioAssay | Assay Description Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q28G8J4C | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Zinc finger protein mex-5 (Caenorhabditis elegans) | BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PCBioAssay | n/a | n/a | n/a | n/a | 3.10E+4 | n/a | n/a | n/a | n/a |
Broad Institute Curated by PubChem BioAssay | Assay Description Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2D798VP | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia)) | BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PCBioAssay | n/a | n/a | 2.29E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
SRMLSC Curated by PubChem BioAssay | Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q27H1H0J | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Large T antigen (Simian virus 40) | BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PCBioAssay | n/a | n/a | n/a | n/a | 4.79E+4 | n/a | n/a | n/a | n/a |
Southern Research Specialized Biocontainment Screening Center Curated by PubChem BioAssay | Assay Description Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2ZK5F47 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Glycogen synthase kinase-3 beta (Homo sapiens (Human)) | BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PCBioAssay | n/a | n/a | n/a | n/a | 3.81E+3 | n/a | n/a | n/a | n/a |
Broad Institute Curated by PubChem BioAssay | Assay Description Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2TX3CTT | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Mitogen-activated protein kinase 14 (Homo sapiens (Human)) | BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.80E+4 | 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 | |||||||||||||
| Mitogen-activated protein kinase 10 (Homo sapiens (Human)) | BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 2.30E+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 | |||||||||||||
| PC4 and SFRS1-interacting protein (Homo sapiens (Human)) | BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PCBioAssay | n/a | n/a | 1.47E+4 | 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 | |||||||||||||
| PC4 and SFRS1-interacting protein (Homo sapiens (Human)) | BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PCBioAssay | n/a | n/a | 1.06E+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/Q2KD1WKS | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 1-deoxy-D-xylulose 5-phosphate reductoisomerase (Escherichia coli) | BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 3.40E+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 | |||||||||||||
| Aurora kinase B (Homo sapiens (Human)) | BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 3.88E+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 | |||||||||||||
| Dipeptidyl peptidase 3 (Homo sapiens (Human)) | BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 2.20E+4 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Josip Juraj Strossmayer University of Osijek | Assay Description The inhibitory activity of flavonoids toward human DPP III was assayed in a 50 mM Tris-HCl buffer, pH 7.4. In brief, recombinant human DPP III (0.29 ... | Chem Biol Drug Des 89: 619-627 (2017) Article DOI: 10.1111/cbdd.12887 BindingDB Entry DOI: 10.7270/Q2X34WBS | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Fatty acid synthase (Gallus gallus (Chicken)) | BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 6.25E+4 | n/a | n/a | n/a | n/a | 7.0 | 37 |
Yeungnam University | Assay Description To each microtube (final volume: 100 μL), FAS was added (20-30 μg protein) in a buffer containing 100 mM potassium phosphate (pH 7.0), 2.5 ... | J Enzyme Inhib Med Chem 28: 565-8 (2013) Article DOI: 10.3109/14756366.2012.658786 BindingDB Entry DOI: 10.7270/Q2D21WHW | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Interstitial collagenase [100-268] (Homo sapiens (Human)) | BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 3.03E+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 | |||||||||||||
| Serine/threonine-protein kinase pim-1 (Homo sapiens (Human)) | BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.59E+3 | 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 | |||||||||||||
| Displayed 1 to 50 (of 150 total ) | Next | Last >> |
| Cell (A) | Syringe (B) | Cell Links | Syringe Links | Cell + Syr Links | ΔG° kcal/mole | -TΔS° kcal/mole | ΔH° kcal/mole | log K | pH | Temp °C |
|---|---|---|---|---|---|---|---|---|---|---|
| Transcriptional Regulator TtgR (Pseudomonas putida) | BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) | GoogleScholar PDB | CHEBI KEGG MMDB PC cid PC sid PDB | -7.12 | -4.08 | -3.05 | 5.14 | 7 | 30 | |
Estacion Experimental del Zaidin | J Biol Chem 281: 7102-9 (2006) | |||||||||
