Search and Browse
Download
Enter Data
BDBM23411 5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one::Scutellarein::Scutellarein (2)::Scutellarein (28)::US10252984, Table 2.2
SMILES: Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)cc2o1
InChI Key: InChIKey=JVXZRQGOGOXCEC-UHFFFAOYSA-N
PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.
| Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Cytochrome P450 1B1 (Homo sapiens (Human)) | BDBM23411 (5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet  | Purchase KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 220 | 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 1A1 (Homo sapiens (Human)) | BDBM23411 (5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 1.64E+3 | 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 | |||||||||||||
| Uridine-5'-diphosphoglucuronosyltransferase 1A1 (Homo sapiens (Human)) | BDBM23411 (5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...) | UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 4.13E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Drug metabolism assessed as human recombinant UGT1A1-mediated formation of scutellarein-7-O-glucuronide after 25 mins by HPLC/UV analysis | Drug Metab Dispos 40: 2009-20 (2012) Article DOI: 10.1124/dmd.112.047183 BindingDB Entry DOI: 10.7270/Q2V40WXM | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Carboxylic ester hydrolase (Rattus norvegicus (rat)) | BDBM23411 (5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...) | Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase 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 |
Sichuan University | Assay Description For rat AChE or BuChE inhibition assays, a reaction mixture (100 μL) containing acetylthiocholine iodide (1 mmol/L, 30 μL) (J&K Scientific)... | Chem Biol Drug Des 86: 1168-77 (2015) Article DOI: 10.1111/cbdd.12580 BindingDB Entry DOI: 10.7270/Q2VM4B1P | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Peroxisome proliferator-activated receptor gamma (Mus musculus) | BDBM23411 (5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.64E+4 | n/a | n/a | n/a | n/a |
Institute of Chinese Materia Medica Curated by ChEMBL | Assay Description Agonist activity at mouse PPARgamma expressed in HEK293 cells co-expressing with Gal4 reporter vector after 24 hrs by dual-luciferase reporter assay | J Nat Prod 77: 1594-600 (2014) Article DOI: 10.1021/np500150f BindingDB Entry DOI: 10.7270/Q2D2208C | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Succinate semialdehyde dehydrogenase (Homo sapiens (Human)) | BDBM23411 (5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 7.20E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University Curated by ChEMBL | Assay Description Inhibition of SSADH (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 | |||||||||||||
| Acetylcholinesterase (Rattus norvegicus (rat)) | BDBM23411 (5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University Curated by ChEMBL | Assay Description Inhibition of AChE in rat cortex using acetylthiocholine iodide as substrate after 15 mins by Ellman's method | Eur J Med Chem 94: 348-66 (2015) Article DOI: 10.1016/j.ejmech.2015.02.063 BindingDB Entry DOI: 10.7270/Q2GQ70HK | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Xanthine dehydrogenase (Bos taurus (Bovine)) | BDBM23411 (5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.26E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of cow milk xanthine oxidase | J Nat Prod 51: 345-348 (1988) Article DOI: 10.1021/np50056a030 BindingDB Entry DOI: 10.7270/Q2DJ5FNN | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Sialidase 2 (Homo sapiens (Human)) | BDBM23411 (5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 5.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido University Curated by ChEMBL | Assay Description Inhibition of human Neu2 assessed as MuNANA substrate hydrolysis in presence of 0.1% Triton X-100 by discontinuous fluorimetric assay | Bioorg Med Chem 18: 1633-40 (2010) Article DOI: 10.1016/j.bmc.2009.12.062 BindingDB Entry DOI: 10.7270/Q26110F1 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human)) | BDBM23411 (5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dongguk University-Seoul Curated by ChEMBL | Assay Description Inhibition of recombinant FLT3 (unknown origin) by TR-FRET assay | Bioorg Med Chem Lett 23: 1768-70 (2013) Article DOI: 10.1016/j.bmcl.2013.01.049 BindingDB Entry DOI: 10.7270/Q2H70H54 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| G protein-coupled receptor kinase 6 (Homo sapiens (Human)) | BDBM23411 (5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | US Patent | n/a | n/a | 6.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Amsterdam | Assay Description TBD | J Pharmacol Exp Ther 314: 1310-21 (2005) BindingDB Entry DOI: 10.7270/Q2BV7JXQ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pyruvate kinase (PKM2) (Homo sapiens (Human)) | BDBM23411 (5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase 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 |
Guizhou Medical University Curated by ChEMBL | Assay Description Inhibition of recombinant human N-terminal His6/SUMO-tagged PKM1 expressed in Escherichia coli BL21 using PEP as substrate incubated for 30 mins in p... | Bioorg Med Chem Lett 27: 5404-5408 (2017) Article DOI: 10.1016/j.bmcl.2017.11.011 BindingDB Entry DOI: 10.7270/Q2V40XS7 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Pyruvate kinase (PKM2) (Homo sapiens (Human)) | BDBM23411 (5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.25E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Guizhou Medical University Curated by ChEMBL | Assay Description Inhibition of recombinant human N-terminal His6/SUMO-tagged PKM2 expressed in Escherichia coli BL21 using PEP as substrate incubated for 30 mins in p... | Bioorg Med Chem Lett 27: 5404-5408 (2017) Article DOI: 10.1016/j.bmcl.2017.11.011 BindingDB Entry DOI: 10.7270/Q2V40XS7 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Receptor-type tyrosine-protein phosphatase S (Homo sapiens (Human)) | BDBM23411 (5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Chungnam National University Curated by ChEMBL | Assay Description Inhibition of recombinant human PTP-sigma (residues 1367 to 1948) using para-nitrophenylphosphate as substrate for 60 mins by fluorescence analysis | Bioorg Med Chem Lett 26: 87-93 (2016) Article DOI: 10.1016/j.bmcl.2015.11.026 BindingDB Entry DOI: 10.7270/Q2M048FV | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...) | BDBM23411 (5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.45E+10 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Buenos Aires Curated by ChEMBL | Assay Description Inhibition of Influenza A PR/8/34 H1N1 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assay | Eur J Med Chem 45: 1724-30 (2010) Article DOI: 10.1016/j.ejmech.2010.01.005 BindingDB Entry DOI: 10.7270/Q27P926M | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...) | BDBM23411 (5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4.89E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Buenos Aires Curated by ChEMBL | Assay Description Inhibition of Influenza A PR/8/34 H1N1 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assay | Eur J Med Chem 45: 1724-30 (2010) Article DOI: 10.1016/j.ejmech.2010.01.005 BindingDB Entry DOI: 10.7270/Q27P926M | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Histone-lysine N-methyltransferase SETD7 (Homo sapiens (Human)) | BDBM23411 (5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.96E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of human SET7 overexpressed in Escherichia coli BL21 (DE3) cells preincubated for 15 mins followed by addition of SAM as substrate and bio... | Bioorg Med Chem 28: (2020) | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Enhancer of zeste homolog 1 (EZH1) (Homo sapiens (Human)) | BDBM23411 (5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 8.77E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of Ezh1 (unknown origin) preincubated for 15 mins followed by addition of substrate measured after 1 hr by AlphaLISA assay | Bioorg Med Chem 28: (2020) | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human)) | BDBM23411 (5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.82E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of SMYD3 (unknown origin) preincubated for 15 mins followed by addition of [3H]-SAM as substrate and peptide solution after 240 mins cold ... | Bioorg Med Chem 28: (2020) | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Myeloid/lymphoid or mixed-lineage leukemia (MLL) (Homo sapiens (Human)) | BDBM23411 (5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 2.92E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of MLL1 (unknown origin) preincubated for 15 mins followed by addition of substrate measured after 1 hr by AlphaLISA assay | Bioorg Med Chem 28: (2020) | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Nuclear SET domain-containing protein 2 (NSD2) (Homo sapiens (Human)) | BDBM23411 (5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 2.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of NSD2 (unknown origin) preincubated for 15 mins followed by addition of [3H]-SAM as substrate and peptide solution after 240 mins cold S... | Bioorg Med Chem 28: (2020) | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Acetylcholinesterase (Rattus norvegicus (rat)) | BDBM23411 (5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase 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 |
Sichuan University | Assay Description For rat AChE or BuChE inhibition assays, a reaction mixture (100 μL) containing acetylthiocholine iodide (1 mmol/L, 30 μL) (J&K Scientific)... | Chem Biol Drug Des 86: 1168-77 (2015) Article DOI: 10.1111/cbdd.12580 BindingDB Entry DOI: 10.7270/Q2VM4B1P | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Fructose-1,6-bisphosphatase (Homo sapiens (Human)) | BDBM23411 (5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 3.82E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Porto Curated by ChEMBL | Assay Description Inhibition of human liver FBP1 incubated for 5 mins by fluorescence method | J Nat Prod 83: 1541-1552 (2020) | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Alpha-amylase (Homo sapiens (Human)) | BDBM23411 (5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 9.64E+3 | 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 | |||||||||||||
| Aurora kinase B (Homo sapiens (Human)) | BDBM23411 (5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.85E+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 | |||||||||||||
