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3 similar compounds to monomer 50402208

Compile data set for download or QSAR
Wt: 373.4
BDBM50402199
Wt: 359.4
BDBM50402200
Wt: 361.3
BDBM50402204

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50402199,50402200,50402204   
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))
BDBM50402199
PNG
(CHEMBL2203967)
Show SMILES CCCCCn1ccc2cc(cnc12)-c1cc(cc(=O)n1O)-c1ccccc1
Show InChI InChI=1S/C23H23N3O2/c1-2-3-7-11-25-12-10-18-13-20(16-24-23(18)25)21-14-19(15-22(27)26(21)28)17-8-5-4-6-9-17/h4-6,8-10,12-16,28H,2-3,7,11H2,1H3
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Article
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n/an/a 510n/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
Glyoxalase 1 (GLO1)


(Homo sapiens (Human))
BDBM50402204
PNG
(CHEMBL2203978)
Show SMILES COCCn1ccc2cc(cnc12)-c1cc(cc(=O)n1O)-c1ccccc1
Show InChI InChI=1S/C21H19N3O3/c1-27-10-9-23-8-7-16-11-18(14-22-21(16)23)19-12-17(13-20(25)24(19)26)15-5-3-2-4-6-15/h2-8,11-14,26H,9-10H2,1H3
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Article
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n/an/a 14n/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
Glyoxalase 1 (GLO1)


(Homo sapiens (Human))
BDBM50402200
PNG
(CHEMBL2203966)
Show SMILES CCCCn1ccc2cc(cnc12)-c1cc(cc(=O)n1O)-c1ccccc1
Show InChI InChI=1S/C22H21N3O2/c1-2-3-10-24-11-9-17-12-19(15-23-22(17)24)20-13-18(14-21(26)25(20)27)16-7-5-4-6-8-16/h4-9,11-15,27H,2-3,10H2,1H3
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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CHEMBL
PC cid
PC sid
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Similars

Article
PubMed
n/an/a 300n/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