BindingDB PrimarySearch

BDBM50241454 1,6-dihydroxy-3,7-dimethoxy-2,8-bis(3-methylbut-2-enyl)-9H-xanthen-9-one::CHEMBL261706::beta-mangostin

SMILES: [#6]-[#8]-c1cc2oc3cc(-[#8])c(-[#8]-[#6])c(-[#6]\[#6]=[#6](\[#6])-[#6])c3c(=O)c2c(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6]

InChI Key: InChIKey=YRKKJHJIWCRNCW-UHFFFAOYSA-N

Data: 2 KI 5 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50241454
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50241454 (1,6-dihydroxy-3,7-dimethoxy-2,8-bis(3-methylbut-2-...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dongguk University Curated by ChEMBL					Assay Description Competitive inhibition of IDH1-R132H mutant (unknown origin) using a-ketoglutarate and NADPH as substrate by steady state kinetic analysis				Bioorg Med Chem Lett 25: 5625-31 (2015) BindingDB Entry DOI: 10.7270/Q22809D3
Dongguk University Curated by ChEMBL					More data for this Ligand-Target Pair
Sialidase (Clostridium perfringens)	BDBM50241454 (1,6-dihydroxy-3,7-dimethoxy-2,8-bis(3-methylbut-2-...) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.49E+4	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
Probable maltase-glucoamylase 2 (Homo sapiens)	BDBM50241454 (1,6-dihydroxy-3,7-dimethoxy-2,8-bis(3-methylbut-2-...) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.26E+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
University of Wollongong Curated by ChEMBL					More data for this Ligand-Target Pair
Sialidase (Clostridium perfringens)	BDBM50241454 (1,6-dihydroxy-3,7-dimethoxy-2,8-bis(3-methylbut-2-...) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.07E+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
Nuclear factor NF-kappa-B (NF-kB) (Homo sapiens (Human))	BDBM50241454 (1,6-dihydroxy-3,7-dimethoxy-2,8-bis(3-methylbut-2-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.50E+3	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
The Ohio State University Curated by ChEMBL					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50241454 (1,6-dihydroxy-3,7-dimethoxy-2,8-bis(3-methylbut-2-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.48E+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
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair
Nuclear factor NF-kappa-B (Homo sapiens (Human))	BDBM50241454 (1,6-dihydroxy-3,7-dimethoxy-2,8-bis(3-methylbut-2-...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.21E+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
The Ohio State University Curated by ChEMBL					More data for this Ligand-Target Pair