BDBM23408 2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-chromen-4-one::CHEMBL413552::Quercetagetin::Quercetagetin (24)
SMILES: Oc1ccc(cc1O)-c1oc2cc(O)c(O)c(O)c2c(=O)c1O
InChI Key: InChIKey=ZVOLCUVKHLEPEV-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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Alpha-amylase (Homo sapiens (Human)) | BDBM23408 (2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-ch...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.02E+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 | |||||||||||||
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human)) | BDBM23408 (2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-ch...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 340 | 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 | 3D Structure (crystal) | ||||||||||||
Aurora kinase B (Homo sapiens (Human)) | BDBM23408 (2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-ch...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 2.62E+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 | |||||||||||||
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human)) | BDBM23408 (2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-ch...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 339 | 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 | 3D Structure (crystal) | ||||||||||||
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1) | BDBM23408 (2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-ch...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute Curated by ChEMBL | Assay Description IC50 was measured as concentration required to inhibit 50% of HIV-integrase integration | J Med Chem 38: 890-7 (1995) BindingDB Entry DOI: 10.7270/Q2959J6V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1) | BDBM23408 (2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-ch...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute Curated by ChEMBL | Assay Description Inhibitory concentration against HIV-1 integrase by strand transfer method | J Med Chem 40: 920-9 (1997) Article DOI: 10.1021/jm960596u BindingDB Entry DOI: 10.7270/Q2S75H1Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human)) | BDBM23408 (2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-ch...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of recombinant PIM1 (unknown origin) expressed in Escherichia coli after 60 mins by ELISA | Bioorg Med Chem 27: 677-685 (2019) Article DOI: 10.1016/j.bmc.2019.01.027 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Synapsin-1 (Bos taurus) | BDBM23408 (2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-ch...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
TU Dortmund University Curated by ChEMBL | Assay Description Inhibition of bovine brain synapsin-1 incubated for 1 hr by ATP-[gamma35S] binding assay | J Med Chem 59: 4121-51 (2016) BindingDB Entry DOI: 10.7270/Q2XD13MT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lymphocyte differentiation antigen CD38 (Homo sapiens (Human)) | BDBM23408 (2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-ch...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 4.86E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
UMR 7200 CNRS-Universit£ de Strasbourg Curated by ChEMBL | Assay Description Inhibition of human CD38 using 20 uM 1, N6-etheno NAD+ as substrate by continuous fluorimetric method | Bioorg Med Chem Lett 21: 3939-42 (2011) Article DOI: 10.1016/j.bmcl.2011.05.022 BindingDB Entry DOI: 10.7270/Q2SF2WJX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1) | BDBM23408 (2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-ch...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL 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 | n/a |
National Cancer Institute Curated by ChEMBL | Assay Description Inhibitory concentration to inhibit HIV-1 integrase by 3' -processing method | J Med Chem 40: 920-9 (1997) Article DOI: 10.1021/jm960596u BindingDB Entry DOI: 10.7270/Q2S75H1Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1) | BDBM23408 (2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-ch...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute Curated by ChEMBL | Assay Description IC50 was measured as concentration required to inhibit 50% of HIV-integrase cleavage | J Med Chem 38: 890-7 (1995) BindingDB Entry DOI: 10.7270/Q2959J6V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1) | BDBM23408 (2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-ch...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of HIV-1 integrase, under 1 uM for the 3''-preprocessing | J Med Chem 43: 2100-14 (2000) BindingDB Entry DOI: 10.7270/Q27D2VTS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1) | BDBM23408 (2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-ch...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Tested for inhibition of HIV-1 integrase, under 1 uM for the strand transfer | J Med Chem 43: 2100-14 (2000) BindingDB Entry DOI: 10.7270/Q27D2VTS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human)) | BDBM23408 (2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-ch...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc Curated by ChEMBL | Assay Description Inhibition of Pim1 (unknown origin) assessed as [32P] incorporation preincubated for 15 mins before ATP substrate addition by coupled spectrophotomet... | Bioorg Med Chem Lett 19: 3019-22 (2009) Article DOI: 10.1016/j.bmcl.2009.04.061 BindingDB Entry DOI: 10.7270/Q21J99PJ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |