BindingDB PrimarySearch

BDBM50241453 1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-enyl)-9H-xanthen-9-one::CHEMBL260553::gamma-mangostin

SMILES: [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c3c(=O)c2c1-[#8]

InChI Key: InChIKey=VEZXFTKZUMARDU-UHFFFAOYSA-N

Data: 4 KI 9 IC50

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50241453
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
Sialidase (Clostridium perfringens)	BDBM50241453 (1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-enyl)-9...) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	800	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)	BDBM50241453 (1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-enyl)-9...) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University Curated by ChEMBL					Assay Description Inhibition of alpha-glucosidase (unknown origin) using PNP-G as substrate by Dixon plot analysis				Bioorg Med Chem 26: 737-746 (2018) Article DOI: 10.1016/j.bmc.2017.12.043 BindingDB Entry DOI: 10.7270/Q2CJ8H34
Gyeongsang National University Curated by ChEMBL					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50241453 (1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-enyl)-9...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University Curated by ChEMBL					Assay Description Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using P-NPP as substrate after 10 mins by Dixon plot analysis				Bioorg Med Chem 26: 737-746 (2018) Article DOI: 10.1016/j.bmc.2017.12.043 BindingDB Entry DOI: 10.7270/Q2CJ8H34
Gyeongsang National University Curated by ChEMBL					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50241453 (1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-enyl)-9...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	3.17E+3	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
7,8-dihydro-8-oxoguanine triphosphatase (Homo sapiens (Human))	BDBM50241453 (1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-enyl)-9...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Toyama Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal 6xHis-tagged MTH1 (3 to 156 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using dGTP ...				Eur J Med Chem 167: 153-160 (2019) Article DOI: 10.1016/j.ejmech.2019.02.011
University of Toyama Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50241453 (1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-enyl)-9...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of COX2				J Nat Prod 68: 985-91 (2005) Article DOI: 10.1021/np049655u BindingDB Entry DOI: 10.7270/Q27S7PN5
Uppsala University Curated by ChEMBL					More data for this Ligand-Target Pair
Probable maltase-glucoamylase 2 (Homo sapiens)	BDBM50241453 (1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-enyl)-9...) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University Curated by ChEMBL					Assay Description Inhibition of alpha-glucosidase (unknown origin) using PNP-G as substrate measured for 15 mins by spectrophotometry				Bioorg Med Chem 26: 737-746 (2018) Article DOI: 10.1016/j.bmc.2017.12.043 BindingDB Entry DOI: 10.7270/Q2CJ8H34
Gyeongsang National University Curated by ChEMBL					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50241453 (1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-enyl)-9...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University Curated by ChEMBL					Assay Description Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using P-NPP as substrate after 10 mins by spectrophotometry				Bioorg Med Chem 26: 737-746 (2018) Article DOI: 10.1016/j.bmc.2017.12.043 BindingDB Entry DOI: 10.7270/Q2CJ8H34
Gyeongsang National University Curated by ChEMBL					More data for this Ligand-Target Pair
Sialidase (Clostridium perfringens)	BDBM50241453 (1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-enyl)-9...) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.20E+3	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
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50241453 (1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-enyl)-9...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of aromatase in human placental microsomes				J Nat Prod 71: 1161-6 (2008) Article DOI: 10.1021/np8000255 BindingDB Entry DOI: 10.7270/Q21R6Q9H
University of Illinois at Chicago Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50241453 (1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-enyl)-9...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of aromatase overexpressed in human SKBR3 cells				J Nat Prod 71: 1161-6 (2008) Article DOI: 10.1021/np8000255 BindingDB Entry DOI: 10.7270/Q21R6Q9H
University of Illinois at Chicago Curated by ChEMBL					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50241453 (1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-enyl)-9...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.24E+3	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
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50241453 (1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-enyl)-9...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL 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
Uppsala University Curated by ChEMBL					Assay Description Inhibition of COX1				J Nat Prod 68: 985-91 (2005) Article DOI: 10.1021/np049655u BindingDB Entry DOI: 10.7270/Q27S7PN5
Uppsala University Curated by ChEMBL					More data for this Ligand-Target Pair