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BDBM50402208 CHEMBL2203974

SMILES: On1c(cc(cc1=O)-c1ccccc1)-c1cnc2[nH]ccc2c1

InChI Key: InChIKey=JEQSULLSJPMICB-UHFFFAOYSA-N

Data: 1 IC50

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Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50402208   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glyoxalase 1 (GLO1)


(Homo sapiens (Human))
BDBM50402208
PNG
(CHEMBL2203974)
Show SMILES On1c(cc(cc1=O)-c1ccccc1)-c1cnc2[nH]ccc2c1
Show InChI InChI=1S/C18H13N3O2/c22-17-10-14(12-4-2-1-3-5-12)9-16(21(17)23)15-8-13-6-7-19-18(13)20-11-15/h1-11,23H,(H,19,20)
PDB

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Similars

Article
PubMed
n/an/a 280n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GLO1 expressed in Escherichia coli BL21 assessed as decrease in reduced glutathione level after 1 hr by Ellman's meth...


Bioorg Med Chem Lett 22: 7486-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.045
BindingDB Entry DOI: 10.7270/Q2RX9D8Q
More data for this
Ligand-Target Pair