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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Lactoylglutathione lyase' and Ligand = 'BDBM50336258'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Lactoylglutathione lyase


(Homo sapiens (Human))		BDBM50336258
PNG
(4-(4-fluorobenzylidene)-1,7-bis(4-hydroxy-3-methox...)
Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]\[#6](=O)-[#6](=[#6]/c2ccc(F)cc2)\[#6](=O)\[#6]=[#6]\c2ccc(-[#8])c(-[#8]-[#6])c2)ccc1-[#8]
Show InChI InChI=1S/C28H23FO6/c1-34-27-16-19(7-13-25(27)32)5-11-23(30)22(15-18-3-9-21(29)10-4-18)24(31)12-6-20-8-14-26(33)28(17-20)35-2/h3-17,32-33H,1-2H3/b11-5+,12-6+
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 3.20E+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