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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Lactoylglutathione lyase' and Ligand = 'BDBM50517462'   
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))		BDBM50517462
PNG
(CHEMBL4467660)
Show SMILES O=S(=O)(Nc1cc(CCc2ccccc2)cc2cccnc12)c1ccccn1
Show InChI InChI=1S/C22H19N3O2S/c26-28(27,21-10-4-5-13-23-21)25-20-16-18(12-11-17-7-2-1-3-8-17)15-19-9-6-14-24-22(19)20/h1-10,13-16,25H,11-12H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.21E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition recombinant human N-terminal 6His-tagged GLO1 (2 to 184 residues) expressed in Escherichia coli using MG as substrate preincubated for 15 ...

J Med Chem 62: 1609-1625 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01868
BindingDB Entry DOI: 10.7270/Q2251NJC
More data for this
Ligand-Target Pair