BDBM50311741 1,6-dihydroxy-7-methoxy-8-(3-methylbut-2-enyl)-6',6'-dimethylpyrano(2',3':3,2)xanthone::9-hydroxycalabaxanthone::CHEMBL561643::mangostanin
SMILES: [#6]-[#8]-c1c(-[#8])cc2oc3cc4-[#8]C([#6])([#6])[#6]=[#6]-c4c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6]
InChI Key: InChIKey=HQWHKELJHUFLGD-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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Sialidase (Clostridium perfringens) | BDBM50311741 (1,6-dihydroxy-7-methoxy-8-(3-methylbut-2-enyl)-6',...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | 5.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Graduate School of Gyeongsang National University Curated by ChEMBL | Assay Description Competitive inhibition of Clostridium perfringens neuraminidase by fluorometry | Bioorg Med Chem 18: 6258-64 (2010) Article DOI: 10.1016/j.bmc.2010.07.033 BindingDB Entry DOI: 10.7270/Q2BK1CK4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nuclear factor NF-kappa-B (NF-kB) (Homo sapiens (Human)) | BDBM50311741 (1,6-dihydroxy-7-methoxy-8-(3-methylbut-2-enyl)-6',...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Ohio State University Curated by ChEMBL | Assay Description Inhibition of p50 after 1 hr by ELISA | J Nat Prod 72: 2028-31 (2009) Article DOI: 10.1021/np900517h BindingDB Entry DOI: 10.7270/Q2R49QWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nuclear factor NF-kappa-B (Homo sapiens (Human)) | BDBM50311741 (1,6-dihydroxy-7-methoxy-8-(3-methylbut-2-enyl)-6',...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Ohio State University Curated by ChEMBL | Assay Description Inhibition of nuclear factor NF-kappa-B p65 subunit after 1 hr by ELISA | J Nat Prod 72: 2028-31 (2009) Article DOI: 10.1021/np900517h BindingDB Entry DOI: 10.7270/Q2R49QWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3',5'-cyclic phosphodiesterase (Homo sapiens (Human)) | BDBM50311741 (1,6-dihydroxy-7-methoxy-8-(3-methylbut-2-enyl)-6',...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou University of Chinese Medicine Curated by ChEMBL | Assay Description Inhibition of human PDE4D2 (86 to 413 residues) expressed in Escherichia coli BL21 codon-plus cells using [3H]cAMP as substrate incubated for 15 mins... | J Med Chem 63: 3370-3380 (2020) Article DOI: 10.1021/acs.jmedchem.0c00060 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Probable maltase-glucoamylase 2 (Homo sapiens) | BDBM50311741 (1,6-dihydroxy-7-methoxy-8-(3-methylbut-2-enyl)-6',...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.14E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong Curated by ChEMBL | Assay Description Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl alpha-D-glucoside as substrate preincubated for 0.5 hrs followed substrate addit... | J Nat Prod 83: 164-168 (2020) Article DOI: 10.1021/acs.jnatprod.9b00849 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Fatty acid synthase (Homo sapiens (Human)) | BDBM50311741 (1,6-dihydroxy-7-methoxy-8-(3-methylbut-2-enyl)-6',...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.06E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Inhibition of FAS | Bioorg Med Chem Lett 20: 6045-7 (2010) Article DOI: 10.1016/j.bmcl.2010.08.061 BindingDB Entry DOI: 10.7270/Q2TT4R6N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sialidase (Clostridium perfringens) | BDBM50311741 (1,6-dihydroxy-7-methoxy-8-(3-methylbut-2-enyl)-6',...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Graduate School of Gyeongsang National University Curated by ChEMBL | Assay Description Inhibition of Clostridium perfringens neuraminidase by fluorometry | Bioorg Med Chem 18: 6258-64 (2010) Article DOI: 10.1016/j.bmc.2010.07.033 BindingDB Entry DOI: 10.7270/Q2BK1CK4 | |||||||||||
More data for this Ligand-Target Pair |