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PubMed code 24320749

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
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
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM119872
PNG
(3‐(2‐ethoxypropyl)‐2‐sulfa...)
Show SMILES CCOC(C)Cn1c2nc[nH]c2c(=O)[nH]c1=S
Show InChI InChI=1S/C10H14N4O2S/c1-3-16-6(2)4-14-8-7(11-5-12-8)9(15)13-10(14)17/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,15,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
413n/an/an/an/an/an/an/an/a



Pfizer Worldwide Research and Development



Assay Description
Assay mixtures (100 µL) contained 50 mM NaPi (pH 7.4), 150 mM NaCl, 1 mM DTPA, 2% DMSO, the indicated concentrations of H2O2, and Amplex Red. Th...


Biochemistry 52: 9187-201 (2013)


Article DOI: 10.1021/bi401354d
BindingDB Entry DOI: 10.7270/Q2K35SBT
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM119874
PNG
(3‐[(2S)‐2‐ethoxypropyl]‐2&...)
Show SMILES CCO[C@@H](C)Cn1c2nc[nH]c2c(=O)[nH]c1=S
Show InChI InChI=1S/C10H14N4O2S/c1-3-16-6(2)4-14-8-7(11-5-12-8)9(15)13-10(14)17/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,15,17)/t6-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
429n/an/an/an/an/an/an/an/a



Pfizer Worldwide Research and Development



Assay Description
Assay mixtures (100 µL) contained 50 mM NaPi (pH 7.4), 150 mM NaCl, 1 mM DTPA, 2% DMSO, the indicated concentrations of H2O2, and Amplex Red. Th...


Biochemistry 52: 9187-201 (2013)


Article DOI: 10.1021/bi401354d
BindingDB Entry DOI: 10.7270/Q2K35SBT
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM119873
PNG
(3‐[(2R)‐2‐ethoxypropyl]‐2&...)
Show SMILES CCO[C@H](C)Cn1c2nc[nH]c2c(=O)[nH]c1=S
Show InChI InChI=1S/C10H14N4O2S/c1-3-16-6(2)4-14-8-7(11-5-12-8)9(15)13-10(14)17/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,15,17)/t6-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
546n/an/an/an/an/an/an/an/a



Pfizer Worldwide Research and Development



Assay Description
Assay mixtures (100 µL) contained 50 mM NaPi (pH 7.4), 150 mM NaCl, 1 mM DTPA, 2% DMSO, the indicated concentrations of H2O2, and Amplex Red. Th...


Biochemistry 52: 9187-201 (2013)


Article DOI: 10.1021/bi401354d
BindingDB Entry DOI: 10.7270/Q2K35SBT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%