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BDBM50070104 (2E)-3-(3-Hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one::(E)-3-(3''-Hydroxy-4''-methoxyphenyl)-1-(3',4',5'-trimethoxyphenyl)prop-2-en-1-one::(E)-3-(3''-hydroxy-4''-methoxyphenyl)-1-(3',4',5'-trimethoxyphenyl)-2-propen-1-one::(E)-3-(3-Hydroxy-4-methoxy-phenyl)-1-(3,4,5-trimethoxy-phenyl)-propenone::(E)-3-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one::3-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one::3-hydroxy-3',4,4',5'-tetramethoxychalcone::CHEMBL9941

SMILES: COc1ccc(\C=C\C(=O)c2cc(OC)c(OC)c(OC)c2)cc1O

InChI Key: InChIKey=IKMOZUDCUBMIRL-FNORWQNLSA-N

Data: 2 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 2 hits for monomerid = 50070104   
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
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50070104
PNG
((2E)-3-(3-Hydroxy-4-methoxyphenyl)-1-(3,4,5-trimet...)
Show SMILES COc1ccc(\C=C\C(=O)c2cc(OC)c(OC)c(OC)c2)cc1O
Show InChI InChI=1S/C19H20O6/c1-22-16-8-6-12(9-15(16)21)5-7-14(20)13-10-17(23-2)19(25-4)18(11-13)24-3/h5-11,21H,1-4H3/b7-5+
MMDB

KEGG

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CHEMBL
PC cid
PC sid
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Similars

Article
PubMed
n/an/a 2.25E+5n/an/an/an/an/an/a



University of Calabria

Curated by ChEMBL


Assay Description
Inhibition of ACE in rabbit lung assessed as decrease in dansylglycine concentration after 5 mins by HPLC analysis


Bioorg Med Chem Lett 20: 1990-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.113
BindingDB Entry DOI: 10.7270/Q2G73DW4
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens (Human))
BDBM50070104
PNG
((2E)-3-(3-Hydroxy-4-methoxyphenyl)-1-(3,4,5-trimet...)
Show SMILES COc1ccc(\C=C\C(=O)c2cc(OC)c(OC)c(OC)c2)cc1O
Show InChI InChI=1S/C19H20O6/c1-22-16-8-6-12(9-15(16)21)5-7-14(20)13-10-17(23-2)19(25-4)18(11-13)24-3/h5-11,21H,1-4H3/b7-5+
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 620n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


J Med Chem 48: 457-65 (2005)


Article DOI: 10.1021/jm049444m
BindingDB Entry DOI: 10.7270/Q2416WKV
More data for this
Ligand-Target Pair