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BDBM50134461 2-(3-Hydroxy-4-methoxy-phenyl)-5,6,7-trimethoxy-chromen-4-one::CHEMBL124885::eupatorin-5-methylether

SMILES: COc1ccc(cc1O)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1

InChI Key: InChIKey=LYLDPYNWDVVPIQ-UHFFFAOYSA-N

Data: 2 KI  1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50134461   
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
Cytochrome P450 1A1


(Homo sapiens (Human))
BDBM50134461
PNG
(2-(3-Hydroxy-4-methoxy-phenyl)-5,6,7-trimethoxy-ch...)
Show SMILES COc1ccc(cc1O)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1
Show InChI InChI=1S/C19H18O7/c1-22-13-6-5-10(7-11(13)20)14-8-12(21)17-15(26-14)9-16(23-2)18(24-3)19(17)25-4/h5-9,20H,1-4H3
PDB

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Article
PubMed
630n/an/an/an/an/an/an/an/a



University of Crete

Curated by ChEMBL


Assay Description
Inhibition of CYP1A1 EROD activity assessed as inhibition of deethylation of 7-ethoxyresorufin to resorufin


Bioorg Med Chem 19: 2842-9 (2011)

More data for this
Ligand-Target Pair
Cytochrome P450 1B1


(Homo sapiens)
BDBM50134461
PNG
(2-(3-Hydroxy-4-methoxy-phenyl)-5,6,7-trimethoxy-ch...)
Show SMILES COc1ccc(cc1O)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1
Show InChI InChI=1S/C19H18O7/c1-22-13-6-5-10(7-11(13)20)14-8-12(21)17-15(26-14)9-16(23-2)18(24-3)19(17)25-4/h5-9,20H,1-4H3
PDB
MMDB

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Article
PubMed
670n/an/an/an/an/an/an/an/a



University of Crete

Curated by ChEMBL


Assay Description
Inhibition of CYP1B1 EROD activity assessed as inhibition of deethylation of 7-ethoxyresorufin to resorufin


Bioorg Med Chem 19: 2842-9 (2011)

More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
BDBM50134461
PNG
(2-(3-Hydroxy-4-methoxy-phenyl)-5,6,7-trimethoxy-ch...)
Show SMILES COc1ccc(cc1O)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1
Show InChI InChI=1S/C19H18O7/c1-22-13-6-5-10(7-11(13)20)14-8-12(21)17-15(26-14)9-16(23-2)18(24-3)19(17)25-4/h5-9,20H,1-4H3
PDB
MMDB

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PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Concentration that cause a 50% inhibition in tubulin assembly as measured by an increase inturbidity using microtubule assembly assay


Citation and Details
More data for this
Ligand-Target Pair