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BDBM50336263 3-(3-nitrobenzylidene)pentane-2,4-dione::CHEMBL1669733

SMILES: [#6]-[#6](=O)-[#6](=[#6]\c1cccc(c1)-[#7+](-[#8-])=O)\[#6](-[#6])=O

InChI Key: InChIKey=UXGCGDAMTXPIIJ-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50336263   
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))		BDBM50336263
PNG
(3-(3-nitrobenzylidene)pentane-2,4-dione | CHEMBL16...)
Show SMILES [#6]-[#6](=O)-[#6](=[#6]\c1cccc(c1)-[#7+](-[#8-])=O)\[#6](-[#6])=O
Show InChI InChI=1S/C12H11NO4/c1-8(14)12(9(2)15)7-10-4-3-5-11(6-10)13(16)17/h3-7H,1-2H3
PDB

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UniProtKB/TrEMBL

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PubMed
 9.10E+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