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2 similar compounds to monomer 16439

Compile data set for download or QSAR
Wt: 276.2
BDBM16438
Wt: 290.2
BDBM16440

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 16438,16440   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16440
PNG
(2-{3-[(2-amino-3-methoxy-3-oxopropyl)sulfanyl]-2,5...)
Show SMILES COC(=O)C(N)CSC1CC(=O)N(CC(O)=O)C1=O
Show InChI InChI=1S/C10H14N2O6S/c1-18-10(17)5(11)4-19-6-2-7(13)12(9(6)16)3-8(14)15/h5-6H,2-4,11H2,1H3,(H,14,15)
PDB

UniProtKB/SwissProt

GoogleScholar
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.50E+3n/an/an/an/an/an/an/an/a



Medical College of Wiscosin



Assay Description
The production of NADPH from NADP+ and benzyl alcohol and xylitol was monitored by an increase in NADPH fluorescence (ex: 340 nm; em: 460 nm) using a...


Bioorg Chem 34: 424-44 (2006)


Article DOI: 10.1016/j.bioorg.2006.09.004
BindingDB Entry DOI: 10.7270/Q2SN076W
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16438
PNG
(2-amino-3-{[1-(carboxymethyl)-2,5-dioxopyrrolidin-...)
Show SMILES NC(CSC1CC(=O)N(CC(O)=O)C1=O)C(O)=O
Show InChI InChI=1S/C9H12N2O6S/c10-4(9(16)17)3-18-5-1-6(12)11(8(5)15)2-7(13)14/h4-5H,1-3,10H2,(H,13,14)(H,16,17)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.40E+4n/an/an/an/an/an/an/an/a



Medical College of Wiscosin



Assay Description
The production of NADPH from NADP+ and benzyl alcohol and xylitol was monitored by an increase in NADPH fluorescence (ex: 340 nm; em: 460 nm) using a...


Bioorg Chem 34: 424-44 (2006)


Article DOI: 10.1016/j.bioorg.2006.09.004
BindingDB Entry DOI: 10.7270/Q2SN076W
More data for this
Ligand-Target Pair