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BDBM50240898 5,7-Dihydroxy-3,6-dimethoxy-2-(4-methoxy-phenyl)-chromen-4-one::5,7-dihydroxy-3,6,4'-trimethoxyflavone::CHEMBL161957::SANTIN

SMILES: COc1ccc(cc1)-c1oc2cc(O)c(OC)c(O)c2c(=O)c1OC

InChI Key: InChIKey=DWZAJFZEYZIHPO-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50240898   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50240898
PNG
(5,7-Dihydroxy-3,6-dimethoxy-2-(4-methoxy-phenyl)-c...)
Show SMILES COc1ccc(cc1)-c1oc2cc(O)c(OC)c(O)c2c(=O)c1OC
Show InChI InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)16-18(24-3)15(21)13-12(25-16)8-11(19)17(23-2)14(13)20/h4-8,19-20H,1-3H3
PDB
MMDB

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KEGG

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Similars

Article
PubMed
n/an/a 3.65E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) by spectrophotometry


J Nat Prod 62: 1053-5 (1999)


Article DOI: 10.1021/np990009i
BindingDB Entry DOI: 10.7270/Q2MP531P
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate)


(Leishmania major)
BDBM50240898
PNG
(5,7-Dihydroxy-3,6-dimethoxy-2-(4-methoxy-phenyl)-c...)
Show SMILES COc1ccc(cc1)-c1oc2cc(O)c(OC)c(O)c2c(=O)c1OC
Show InChI InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)16-18(24-3)15(21)13-12(25-16)8-11(19)17(23-2)14(13)20/h4-8,19-20H,1-3H3
PDB

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 2.51E+5n/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...


Eur J Med Chem 157: 852-866 (2018)


BindingDB Entry DOI: 10.7270/Q2FJ2KFS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate)


(Leishmania major)
BDBM50240898
PNG
(5,7-Dihydroxy-3,6-dimethoxy-2-(4-methoxy-phenyl)-c...)
Show SMILES COc1ccc(cc1)-c1oc2cc(O)c(OC)c(O)c2c(=O)c1OC
Show InChI InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)16-18(24-3)15(21)13-12(25-16)8-11(19)17(23-2)14(13)20/h4-8,19-20H,1-3H3
PDB

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 2.62E+5n/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...


Eur J Med Chem 157: 852-866 (2018)


BindingDB Entry DOI: 10.7270/Q2FJ2KFS
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50240898
PNG
(5,7-Dihydroxy-3,6-dimethoxy-2-(4-methoxy-phenyl)-c...)
Show SMILES COc1ccc(cc1)-c1oc2cc(O)c(OC)c(O)c2c(=O)c1OC
Show InChI InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)16-18(24-3)15(21)13-12(25-16)8-11(19)17(23-2)14(13)20/h4-8,19-20H,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 220n/an/an/an/an/an/a



Universidad Nacional de C£rdoba

Curated by ChEMBL


Assay Description
Inhibition of bovine milk xanthine oxidase using xanthine as substrate preincubated for 15 mins followed by substrate addition measured after 30 mins...


Eur J Med Chem 143: 577-582 (2018)


BindingDB Entry DOI: 10.7270/Q2X35144
More data for this
Ligand-Target Pair