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BDBM50457775 CHEMBL451902::Robustaflavone-4''-Methyl Ether

SMILES: COc1ccc(cc1-c1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1)-c1cc(=O)c2c(O)cc(O)cc2o1

InChI Key: InChIKey=ZBOKFHZIWKIWRZ-UHFFFAOYSA-N

Data: 4 IC50

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Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50457775   
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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50457775
PNG
(CHEMBL451902 | Robustaflavone-4''-Methyl Ether)
Show SMILES COc1ccc(cc1-c1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C31H20O10/c1-39-23-7-4-15(25-11-21(36)29-19(34)9-17(33)10-26(29)41-25)8-18(23)28-20(35)13-27-30(31(28)38)22(37)12-24(40-27)14-2-5-16(32)6-3-14/h2-13,32-35,38H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Guangxi Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP2 preincubated for 30 mins followed by McaPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate addition measured by fluoresce...


Bioorg Med Chem Lett 28: 2413-2417 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.024
BindingDB Entry DOI: 10.7270/Q2348P07
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50457775
PNG
(CHEMBL451902 | Robustaflavone-4''-Methyl Ether)
Show SMILES COc1ccc(cc1-c1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C31H20O10/c1-39-23-7-4-15(25-11-21(36)29-19(34)9-17(33)10-26(29)41-25)8-18(23)28-20(35)13-27-30(31(28)38)22(37)12-24(40-27)14-2-5-16(32)6-3-14/h2-13,32-35,38H,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Meiji Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human amyloid beta (1 to 40) assessed as reduction in aggregation measured after 24 hrs by ThT fluorescence assay


Bioorg Med Chem Lett 29: 1994-1997 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.020
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50457775
PNG
(CHEMBL451902 | Robustaflavone-4''-Methyl Ether)
Show SMILES COc1ccc(cc1-c1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C31H20O10/c1-39-23-7-4-15(25-11-21(36)29-19(34)9-17(33)10-26(29)41-25)8-18(23)28-20(35)13-27-30(31(28)38)22(37)12-24(40-27)14-2-5-16(32)6-3-14/h2-13,32-35,38H,1H3
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n/an/a 2.61E+4n/an/an/an/an/an/a



Guangxi Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP9 preincubated for 30 mins followed by McaPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate addition measured by fluoresce...


Bioorg Med Chem Lett 28: 2413-2417 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.024
BindingDB Entry DOI: 10.7270/Q2348P07
More data for this
Ligand-Target Pair
Matrix metalloproteinase (2 and 3)


(Homo sapiens (Human))
BDBM50457775
PNG
(CHEMBL451902 | Robustaflavone-4''-Methyl Ether)
Show SMILES COc1ccc(cc1-c1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C31H20O10/c1-39-23-7-4-15(25-11-21(36)29-19(34)9-17(33)10-26(29)41-25)8-18(23)28-20(35)13-27-30(31(28)38)22(37)12-24(40-27)14-2-5-16(32)6-3-14/h2-13,32-35,38H,1H3
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n/an/a 3.73E+4n/an/an/an/an/an/a



Guangxi Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP3 preincubated for 30 mins followed by McaPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate addition measured by fluoresce...


Bioorg Med Chem Lett 28: 2413-2417 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.024
BindingDB Entry DOI: 10.7270/Q2348P07
More data for this
Ligand-Target Pair