BDBM50187668 3-Hydroxyflavone::3-Hydroxyflavone (12)::3-hydroxy-2-phenyl-4H-1-benzopyran-4-one::3-hydroxy-2-phenyl-4H-chromen-4-one::3-hydroxy-2-phenylchromone::CHEMBL294009::Flavonol::flavon-3-ol
SMILES: Oc1c(oc2ccccc2c1=O)-c1ccccc1
InChI Key: InChIKey=HVQAJTFOCKOKIN-UHFFFAOYSA-N
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 |
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Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50187668 (3-Hydroxyflavone | 3-Hydroxyflavone (12) | 3-hydro...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Cagliari Curated by ChEMBL | Assay Description Inhibition of cytosolic human carbonic anhydrase 1 preincubated for 12 hrs by stopped flow CO2 hydration assay | Bioorg Med Chem Lett 22: 3063-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.071 BindingDB Entry DOI: 10.7270/Q2J1045T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50187668 (3-Hydroxyflavone | 3-Hydroxyflavone (12) | 3-hydro...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 5.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Cagliari Curated by ChEMBL | Assay Description Inhibition of cytosolic human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay | Bioorg Med Chem Lett 22: 3063-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.071 BindingDB Entry DOI: 10.7270/Q2J1045T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM50187668 (3-Hydroxyflavone | 3-Hydroxyflavone (12) | 3-hydro...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 5.54E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Cagliari Curated by ChEMBL | Assay Description Inhibition of transmembrane tumor-associated human carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay | Bioorg Med Chem Lett 22: 3063-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.071 BindingDB Entry DOI: 10.7270/Q2J1045T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM50187668 (3-Hydroxyflavone | 3-Hydroxyflavone (12) | 3-hydro...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 5.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Cagliari Curated by ChEMBL | Assay Description Inhibition of transmembrane tumor-associated human carbonic anhydrase 9 preincubated for 12 hrs by stopped flow CO2 hydration assay | Bioorg Med Chem Lett 22: 3063-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.071 BindingDB Entry DOI: 10.7270/Q2J1045T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM50187668 (3-Hydroxyflavone | 3-Hydroxyflavone (12) | 3-hydro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 6.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Cagliari Curated by ChEMBL | Assay Description Inhibition of transmembrane tumor-associated human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay | Bioorg Med Chem Lett 22: 3063-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.071 BindingDB Entry DOI: 10.7270/Q2J1045T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM50187668 (3-Hydroxyflavone | 3-Hydroxyflavone (12) | 3-hydro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 6.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Cagliari Curated by ChEMBL | Assay Description Inhibition of transmembrane tumor-associated human carbonic anhydrase 12 preincubated for 12 hrs by stopped flow CO2 hydration assay | Bioorg Med Chem Lett 22: 3063-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.071 BindingDB Entry DOI: 10.7270/Q2J1045T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50187668 (3-Hydroxyflavone | 3-Hydroxyflavone (12) | 3-hydro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 9.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Cagliari Curated by ChEMBL | Assay Description Inhibition of cytosolic human carbonic anhydrase 2 preincubated for 12 hrs by stopped flow CO2 hydration assay | Bioorg Med Chem Lett 22: 3063-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.071 BindingDB Entry DOI: 10.7270/Q2J1045T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50187668 (3-Hydroxyflavone | 3-Hydroxyflavone (12) | 3-hydro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 9.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Cagliari Curated by ChEMBL | Assay Description Inhibition of cytosolic human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay | Bioorg Med Chem Lett 22: 3063-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.071 BindingDB Entry DOI: 10.7270/Q2J1045T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P-glycoprotein 1 (Homo sapiens (Human)) | BDBM50187668 (3-Hydroxyflavone | 3-Hydroxyflavone (12) | 3-hydro...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Chosun University Curated by ChEMBL | Assay Description Binding affinity to ABCB1 nucleotide binding domain 2 | Eur J Med Chem 46: 4078-88 (2011) Article DOI: 10.1016/j.ejmech.2011.06.008 BindingDB Entry DOI: 10.7270/Q2FJ2J3W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Xanthine dehydrogenase/oxidase (Homo sapiens (Human)) | BDBM50187668 (3-Hydroxyflavone | 3-Hydroxyflavone (12) | 3-hydro...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Antwerp Curated by ChEMBL | Assay Description Inhibition of xanthine oxidase assessed as decrease in uric acid production by spectrophotometry | J Nat Prod 61: 71-6 (1998) Article DOI: 10.1021/np970237h BindingDB Entry DOI: 10.7270/Q29C6Z93 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA Gyrase (Escherichia coli (strain K12)) | BDBM50187668 (3-Hydroxyflavone | 3-Hydroxyflavone (12) | 3-hydro...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars | n/a | n/a | >2.09E+6 | 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 | |||||||||||||
Fatty acid synthase (Homo sapiens (Human)) | BDBM50187668 (3-Hydroxyflavone | 3-Hydroxyflavone (12) | 3-hydro...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL | Assay Description Inhibition of FAS | Bioorg Med Chem Lett 16: 4738-42 (2006) Article DOI: 10.1016/j.bmcl.2006.07.018 BindingDB Entry DOI: 10.7270/Q2QV3NB7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calmodulin (Homo sapiens (Human)) | BDBM50187668 (3-Hydroxyflavone | 3-Hydroxyflavone (12) | 3-hydro...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 5.52E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Aut£noma del Estado de Morelos Curated by ChEMBL | Assay Description Inhibition of human recombinant calmodulin assessed as inhibition of calmodulin-sensitive cAMP phosphodiesterase activation after 15 mins by spectrop... | Bioorg Med Chem 19: 542-6 (2011) Article DOI: 10.1016/j.bmc.2010.10.063 BindingDB Entry DOI: 10.7270/Q2KH0NM0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Androgen Receptor (Homo sapiens (Human)) | BDBM50187668 (3-Hydroxyflavone | 3-Hydroxyflavone (12) | 3-hydro...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.35E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Meijo University Curated by ChEMBL | Assay Description Antagonist activity at androgen receptor in human MDA-kb2 cells assessed as inhibition of DHT-induced luciferase activity by luciferase reporter gene... | Bioorg Med Chem Lett 19: 4706-10 (2009) Article DOI: 10.1016/j.bmcl.2009.06.073 BindingDB Entry DOI: 10.7270/Q26T0MNQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Arachidonate 15-lipoxygenase (Homo sapiens (Human)) | BDBM50187668 (3-Hydroxyflavone | 3-Hydroxyflavone (12) | 3-hydro...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 7.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Chile Curated by ChEMBL | Assay Description Inhibition of 15-hLO1 | Bioorg Med Chem 15: 7408-25 (2007) Article DOI: 10.1016/j.bmc.2007.07.036 BindingDB Entry DOI: 10.7270/Q2RN37KN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
12-Lipoxygenase (12-LOX) (Homo sapiens (Human)) | BDBM50187668 (3-Hydroxyflavone | 3-Hydroxyflavone (12) | 3-hydro...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Chile Curated by ChEMBL | Assay Description Inhibition of 12-hLO | Bioorg Med Chem 15: 7408-25 (2007) Article DOI: 10.1016/j.bmc.2007.07.036 BindingDB Entry DOI: 10.7270/Q2RN37KN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
15-Lipoxygenase-2 (15-LOX-2) (Homo sapiens (Human)) | BDBM50187668 (3-Hydroxyflavone | 3-Hydroxyflavone (12) | 3-hydro...) | PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Chile Curated by ChEMBL | Assay Description Inhibition of 15-hLO2 | Bioorg Med Chem 15: 7408-25 (2007) Article DOI: 10.1016/j.bmc.2007.07.036 BindingDB Entry DOI: 10.7270/Q2RN37KN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1B1 (Homo sapiens (Human)) | BDBM50187668 (3-Hydroxyflavone | 3-Hydroxyflavone (12) | 3-hydro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 90 | 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 human CYP1B1 expressed in Escherichia coli DH5alpha coexpressing human NADPH P450 reductase using 7-ethoxyresorufin as substrate in pre... | 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 | |||||||||||||
Aurora kinase B (Homo sapiens (Human)) | BDBM50187668 (3-Hydroxyflavone | 3-Hydroxyflavone (12) | 3-hydro...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4.29E+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 III (Homo sapiens (Human)) | BDBM50187668 (3-Hydroxyflavone | 3-Hydroxyflavone (12) | 3-hydro...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.88E+5 | 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 |