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BDBM50336252 1-(3,4-dimethoxyphenyl)-5-hydroxy-7-(4-hydroxyphenyl)hepta-1,4,6-trien-3-one::CHEMBL1669725

SMILES: COc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)cc1OC

InChI Key: InChIKey=XTTVINPWZBCFLU-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50336252   
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
Glyoxalase 1 (GLO1)


(Homo sapiens (Human))		BDBM50336252
PNG
(1-(3,4-dimethoxyphenyl)-5-hydroxy-7-(4-hydroxyphen...)
Show SMILES COc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)cc1OC |w:6.5,13.12|
Show InChI InChI=1S/C21H20O5/c1-25-20-12-7-16(13-21(20)26-2)6-11-19(24)14-18(23)10-5-15-3-8-17(22)9-4-15/h3-13,22H,14H2,1-2H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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Similars
Article
PubMed
 2.90E+4n/an/an/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia coli BL21 (DE3) preincubated for 20 mins by Dixon plot analysis

Bioorg Med Chem 19: 1189-96 (2011)


Article DOI: 10.1016/j.bmc.2010.12.039
BindingDB Entry DOI: 10.7270/Q2222V2X
More data for this
Ligand-Target Pair