Found 1192 hits for monomerid = 7462,7459,7460,7457,7458,7461,15236,23408,26665,26655,26656,26657,26659,26664 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...)Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| 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)) | BDBM7461
(5,7-dihydroxy-2-phenyl-4H-chromen-4-one | 5,7-dihy...)Show InChI InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H | PDB MMDB
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| Article PubMed
| 16 | 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 CYP1B1 (unknown origin) |
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 | |
Cytochrome P450 1B1
(Homo sapiens (Human)) | BDBM7461
(5,7-dihydroxy-2-phenyl-4H-chromen-4-one | 5,7-dihy...)Show InChI InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H | PDB MMDB
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| Article PubMed
| 16 | 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 | |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM7460
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H | PDB MMDB
UniProtKB/TrEMBL
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| Article PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Immunology
Curated by ChEMBL
| Assay Description Inhibition of Plasmodium falciparum ENR in presence of triclosan |
J Med Chem 50: 765-75 (2007)
Article DOI: 10.1021/jm061154d BindingDB Entry DOI: 10.7270/Q2QJ7J4Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 1B1
(Homo sapiens (Human)) | BDBM7460
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H | PDB MMDB
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| Article PubMed
| 23 | 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 CYP1B1 (unknown origin) |
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 | |
Cytochrome P450 1B1
(Homo sapiens (Human)) | BDBM7460
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H | PDB MMDB
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| Article PubMed
| 23 | 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 7
(Homo sapiens (Human)) | BDBM7462
(3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...)Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H | PDB MMDB
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| Article PubMed
| 25 | -10.4 | 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)) | 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
| 27 | 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 | |
Cytochrome P450 1B1
(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
| 27 | 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 CYP1B1 (unknown origin) |
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 | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM7461
(5,7-dihydroxy-2-phenyl-4H-chromen-4-one | 5,7-dihy...)Show InChI InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H | PDB MMDB
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| Article PubMed
| 35 | -10.2 | 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 | |
Cytochrome P450 1A1
(Homo sapiens (Human)) | BDBM7461
(5,7-dihydroxy-2-phenyl-4H-chromen-4-one | 5,7-dihy...)Show InChI InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H | PDB
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| Article PubMed
| 42 | 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 | |
Cytochrome P450 1B1
(Homo sapiens (Human)) | BDBM7462
(3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...)Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H | PDB MMDB
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| Article PubMed
| 43 | 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 | |
5'-nucleotidase
(Rattus norvegicus (Rat)) | BDBM7460
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H | PDB
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| Article PubMed
| 45.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of rat ecto-5'-nucleotidase expressed in Sf9 cells by capillary electrophoresis method |
J Med Chem 53: 2076-86 (2010)
Article DOI: 10.1021/jm901851t BindingDB Entry DOI: 10.7270/Q2DZ097V |
More data for this Ligand-Target Pair | |
Cytochrome P450 1B1
(Homo sapiens (Human)) | BDBM7459
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H | PDB MMDB
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| 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...)Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H | PDB MMDB
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| 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 | |
Cytochrome P450 1B1
(Homo sapiens (Human)) | BDBM7458
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H | PDB MMDB
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| Article PubMed
| 64 | 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 | |
Carbonyl reductase [NADPH] 1
(Homo sapiens (Human)) | BDBM7461
(5,7-dihydroxy-2-phenyl-4H-chromen-4-one | 5,7-dihy...)Show InChI InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H | PDB MMDB
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| Article PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Tübingen
Curated by ChEMBL
| Assay Description Binding affinity to human recombinant carbonyl reductase 1 expressed in Escherichia coli assessed as NADPH oxidation using isatin as substrate |
Bioorg Med Chem 17: 530-6 (2009)
Article DOI: 10.1016/j.bmc.2008.11.076 BindingDB Entry DOI: 10.7270/Q2SJ1KFH |
More data for this Ligand-Target Pair | |
CDGSH iron-sulfur domain-containing protein 1
(Homo sapiens (Human)) | BDBM7462
(3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...)Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H | PDB MMDB
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| Article PubMed
| 132 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
West Virginia University
Curated by ChEMBL
| Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi... |
Bioorg Med Chem Lett 26: 5350-5353 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM7462
(3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...)Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H | PDB MMDB
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| Article PubMed
| 146 | -9.32 | 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 7
(Homo sapiens (Human)) | BDBM7461
(5,7-dihydroxy-2-phenyl-4H-chromen-4-one | 5,7-dihy...)Show InChI InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H | PDB MMDB
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| Article PubMed
| 171 | -9.23 | 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 | |
Xanthine dehydrogenase/oxidase
(Homo sapiens (Human)) | BDBM7460
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H | PDB MMDB
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| PDB Article PubMed
| 280 | 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 xanthine oxidase (unknown origin) at 37 degC at ph 7..8 |
J Nat Prod 77: 1693-9 (2014)
Article DOI: 10.1021/np500320g BindingDB Entry DOI: 10.7270/Q2QJ7M9S |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM7459
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H | PDB MMDB
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| 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 | |
Casein kinase II subunit alpha
(Homo sapiens (Human)) | BDBM7457
(2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4...)Show InChI InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H | PDB
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| 350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of CK2alpha (unknown origin) |
Eur J Med Chem 181: (2019)
Article DOI: 10.1016/j.ejmech.2019.111581 BindingDB Entry DOI: 10.7270/Q29K4FJB |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A1
(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
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| 370 | 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 | |
Cytochrome P450 1A1
(Homo sapiens (Human)) | BDBM7458
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H | PDB
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| 390 | 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 | |
Tyrosine-protein kinase Yes
(Homo sapiens (Human)) | BDBM7460
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H | PDB MMDB
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| Article PubMed
| 472 | 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 | |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM7460
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H | PDB MMDB
UniProtKB/TrEMBL
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| Article PubMed
| 473 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Immunology
Curated by ChEMBL
| Assay Description Inhibition of Plasmodium falciparum ENR using crotonyl-CoA substrate |
J Med Chem 50: 765-75 (2007)
Article DOI: 10.1021/jm061154d BindingDB Entry DOI: 10.7270/Q2QJ7J4Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM7461
(5,7-dihydroxy-2-phenyl-4H-chromen-4-one | 5,7-dihy...)Show InChI InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H | PDB MMDB
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| Article PubMed
| 500 | 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 CYP1A2 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)) | BDBM7458
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H | PDB MMDB
KEGG
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| 520 | 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 4
(Homo sapiens (Human)) | BDBM7461
(5,7-dihydroxy-2-phenyl-4H-chromen-4-one | 5,7-dihy...)Show InChI InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H | PDB MMDB
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| 538 | -8.55 | 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 4 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 1A1
(Homo sapiens (Human)) | BDBM7460
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H | PDB
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| Article PubMed
| 660 | 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 | |
Casein kinase II subunit alpha
(Homo sapiens (Human)) | BDBM7458
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H | PDB
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| 740 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of CK2alpha (unknown origin) |
Eur J Med Chem 181: (2019)
Article DOI: 10.1016/j.ejmech.2019.111581 BindingDB Entry DOI: 10.7270/Q29K4FJB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM7459
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H | PDB MMDB
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| 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 | |
Casein kinase II subunit alpha
(Homo sapiens (Human)) | BDBM7458
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H | PDB
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| 740 | -8.27 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
University of Padova
| Assay Description In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gam... |
Biochem J 374: 639-46 (2003)
Article DOI: 10.1042/BJ20030674 BindingDB Entry DOI: 10.7270/Q2BV7DTQ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cytochrome P450 1A1
(Homo sapiens (Human)) | BDBM7462
(3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...)Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H | PDB
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| Article PubMed
| 750 | 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 | |
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
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| Article PubMed
| 800 | n/a | n/a | 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 | |
3-oxoacyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM7459
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H | PDB MMDB
UniProtKB/TrEMBL
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| 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...)Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H | PDB
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| 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 | |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM7460
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H | PDB MMDB
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| 1.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Immunology
Curated by ChEMBL
| Assay Description Inhibition of Plasmodium falciparum ENR using NADH substrate |
J Med Chem 50: 765-75 (2007)
Article DOI: 10.1021/jm061154d BindingDB Entry DOI: 10.7270/Q2QJ7J4Q |
More data for this Ligand-Target Pair | |
Casein kinase II subunit alpha
(Homo sapiens (Human)) | BDBM7460
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H | PDB
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| 1.18E+3 | -8.00 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
University of Padova
| Assay Description In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gam... |
Biochem J 374: 639-46 (2003)
Article DOI: 10.1042/BJ20030674 BindingDB Entry DOI: 10.7270/Q2BV7DTQ |
More data for this Ligand-Target Pair | |
Casein kinase II subunit alpha
(Homo sapiens (Human)) | BDBM7460
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H | PDB
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| 1.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of CK2alpha (unknown origin) |
Eur J Med Chem 181: (2019)
Article DOI: 10.1016/j.ejmech.2019.111581 BindingDB Entry DOI: 10.7270/Q29K4FJB |
More data for this Ligand-Target Pair | |
Casein kinase II subunit alpha 3
(Homo sapiens) | BDBM7460
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H | PDB
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| 1.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of CK2 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00131 BindingDB Entry DOI: 10.7270/Q2ZS319T |
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
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| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de S£o Carlos
Curated by ChEMBL
| Assay Description Noncompetitive inhibition of Leishmania amazonensis recombinant arginase expressed in Escherichia coli Rosetta (DE3) pLysS using L-arginine as substr... |
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 | |
Xanthine dehydrogenase/oxidase
(Bos taurus (Bovine)) | BDBM7460
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H | PDB MMDB
KEGG
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| 1.20E+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 | 3D Structure (crystal) |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM7459
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H | PDB
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| 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...)Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
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| 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 | |
Myosin light chain kinase, smooth muscle
(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
B.MOAD antibodypedia GoogleScholar AffyNet
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| Article PubMed
| 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of MLCK |
J Nat Prod 69: 14-7 (2006)
Article DOI: 10.1021/np050229y BindingDB Entry DOI: 10.7270/Q2FJ2GHF |
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...)Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
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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 | |
Tyrosine-protein kinase transforming protein Fps
(Fujinami sarcoma 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 | UniProtKB/SwissProt
GoogleScholar AffyNet
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CHEMBL DrugBank 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 |
TBA
Curated by ChEMBL
| Assay Description Inhibition of Fujinami sarcoma virus pp130fps |
J Nat Prod 55: 1529-1560 (1992)
Article DOI: 10.1021/np50089a001 BindingDB Entry DOI: 10.7270/Q2J966CC |
More data for this Ligand-Target Pair | |
Xanthine dehydrogenase/oxidase
(Bos taurus (Bovine)) | BDBM7459
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
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| 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 | |