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BDBM50336259 4-(5-(3,4-dimethoxyphenyl)-2-(-3-(3,4-dimethoxyphenyl)acryloyl)-3-oxopenta-1,4-dienyl)phthalaldehyde::CHEMBL1669730

SMILES: [#6]-[#8]-c1ccc(\[#6]=[#6]\[#6](=O)-[#6](=[#6]/c2ccc(-[#6]=O)c(-[#6]=O)c2)\[#6](=O)\[#6]=[#6]\c2ccc(-[#8]-[#6])c(-[#8]-[#6])c2)cc1-[#8]-[#6]

InChI Key: InChIKey=ATWDJGVPCOPJAE-GNXRPPCSSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50336259   
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))		BDBM50336259
PNG
(4-(5-(3,4-dimethoxyphenyl)-2-(-3-(3,4-dimethoxyphe...)
Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]\[#6](=O)-[#6](=[#6]/c2ccc(-[#6]=O)c(-[#6]=O)c2)\[#6](=O)\[#6]=[#6]\c2ccc(-[#8]-[#6])c(-[#8]-[#6])c2)cc1-[#8]-[#6]
Show InChI InChI=1S/C32H28O8/c1-37-29-13-8-21(17-31(29)39-3)6-11-27(35)26(16-23-5-10-24(19-33)25(15-23)20-34)28(36)12-7-22-9-14-30(38-2)32(18-22)40-4/h5-20H,1-4H3/b11-6+,12-7+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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PC cid
PC sid
UniChem

Similars
Article
PubMed
 3.60E+3n/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