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Compile Data Set for Download or QSAR

Found 2 hits with Last Name = 'akella' and Initial = 'lb'   
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
Glyoxalase 1 (GLO1)


(Homo sapiens (Human))
BDBM50241121
PNG
((S)-5-((R)-3-(4-bromobenzylthio)-1-(carboxymethyla...)
Show SMILES N[C@@H](CCC(=O)N[C@@H](CSCc1ccc(Br)cc1)C(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C17H22BrN3O6S/c18-11-3-1-10(2-4-11)8-28-9-13(16(25)20-7-15(23)24)21-14(22)6-5-12(19)17(26)27/h1-4,12-13H,5-9,19H2,(H,20,25)(H,21,22)(H,23,24)(H,26,27)/t12-,13-/m0/s1
UniProtKB/SwissProt

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CHEMBL
MMDB
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.14E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Ability to inhibit yeast glyoxalase I enzyme in 0.05 M phosphate buffer, pH 6.6, 30 degree C


Bioorg Med Chem Lett 9: 853-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00097-9
BindingDB Entry DOI: 10.7270/Q2X63M4F
More data for this
Ligand-Target Pair
Glyoxalase 1 (GLO1)


(Homo sapiens (Human))
BDBM50076046
PNG
(2-Amino-3-{3-[2-(4-bromo-benzylsulfanyl)-1-(carbox...)
Show SMILES NC(CNC(=O)NC(CSCc1ccc(Br)cc1)C(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C16H21BrN4O6S/c17-10-3-1-9(2-4-10)7-28-8-12(14(24)19-6-13(22)23)21-16(27)20-5-11(18)15(25)26/h1-4,11-12H,5-8,18H2,(H,19,24)(H,22,23)(H,25,26)(H2,20,21,27)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.55E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Ability to inhibit yeast glyoxalase I enzyme in 0.05 M phosphate buffer, pH 6.6, 30 degree C


Bioorg Med Chem Lett 9: 853-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00097-9
BindingDB Entry DOI: 10.7270/Q2X63M4F
More data for this
Ligand-Target Pair