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BDBM50311742 8-DEOXYGARTANIN::8-desoxygartanin::CHEMBL488606

SMILES: [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2oc3c(-[#8])cccc3c(=O)c2c1-[#8]

InChI Key: InChIKey=GVQOVMKBYJKZSY-UHFFFAOYSA-N

Data: 1 KI  4 IC50

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50311742   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sialidase


(Clostridium perfringens)
BDBM50311742
PNG
(8-DEOXYGARTANIN | 8-desoxygartanin | CHEMBL488606)
Show SMILES CC(C)=CCc1c(O)c(CC=C(C)C)c2oc3c(O)cccc3c(=O)c2c1O
Show InChI InChI=1S/C23H24O5/c1-12(2)8-10-14-19(25)16(11-9-13(3)4)23-18(20(14)26)21(27)15-6-5-7-17(24)22(15)28-23/h5-9,24-26H,10-11H2,1-4H3
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1.55E+4n/an/an/an/an/an/an/an/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


(Homo sapiens (Human))
BDBM50311742
PNG
(8-DEOXYGARTANIN | 8-desoxygartanin | CHEMBL488606)
Show SMILES CC(C)=CCc1c(O)c(CC=C(C)C)c2oc3c(O)cccc3c(=O)c2c1O
Show InChI InChI=1S/C23H24O5/c1-12(2)8-10-14-19(25)16(11-9-13(3)4)23-18(20(14)26)21(27)15-6-5-7-17(24)22(15)28-23/h5-9,24-26H,10-11H2,1-4H3
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n/an/a 1.13E+4n/an/an/an/an/an/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
7,8-dihydro-8-oxoguanine triphosphatase


(Homo sapiens (Human))
BDBM50311742
PNG
(8-DEOXYGARTANIN | 8-desoxygartanin | CHEMBL488606)
Show SMILES CC(C)=CCc1c(O)c(CC=C(C)C)c2oc3c(O)cccc3c(=O)c2c1O
Show InChI InChI=1S/C23H24O5/c1-12(2)8-10-14-19(25)16(11-9-13(3)4)23-18(20(14)26)21(27)15-6-5-7-17(24)22(15)28-23/h5-9,24-26H,10-11H2,1-4H3
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n/an/a 2.00E+4n/an/an/an/an/an/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
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM50311742
PNG
(8-DEOXYGARTANIN | 8-desoxygartanin | CHEMBL488606)
Show SMILES CC(C)=CCc1c(O)c(CC=C(C)C)c2oc3c(O)cccc3c(=O)c2c1O
Show InChI InChI=1S/C23H24O5/c1-12(2)8-10-14-19(25)16(11-9-13(3)4)23-18(20(14)26)21(27)15-6-5-7-17(24)22(15)28-23/h5-9,24-26H,10-11H2,1-4H3
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n/an/a>2.00E+4n/an/an/an/an/an/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
Sialidase


(Clostridium perfringens)
BDBM50311742
PNG
(8-DEOXYGARTANIN | 8-desoxygartanin | CHEMBL488606)
Show SMILES CC(C)=CCc1c(O)c(CC=C(C)C)c2oc3c(O)cccc3c(=O)c2c1O
Show InChI InChI=1S/C23H24O5/c1-12(2)8-10-14-19(25)16(11-9-13(3)4)23-18(20(14)26)21(27)15-6-5-7-17(24)22(15)28-23/h5-9,24-26H,10-11H2,1-4H3
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n/an/a 2.92E+4n/an/an/an/an/an/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