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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Myeloperoxidase' and Ligand = 'BDBM50332577'   
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


(Homo sapiens (Human))
BDBM50332577
PNG
(CHEMBL1630728 | N-(2-(5-fluoro-1H-indol-3-yl)ethyl...)
Show SMILES CCCCNCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C14H19FN2/c1-2-3-7-16-8-6-11-10-17-14-5-4-12(15)9-13(11)14/h4-5,9-10,16-17H,2-3,6-8H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 250n/an/an/an/an/an/a



Universite£? Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of recombinant MPO mediated LDL oxidation using MPO/Cl-/H2O2 system


J Med Chem 53: 8747-59 (2010)


Article DOI: 10.1021/jm1009988
BindingDB Entry DOI: 10.7270/Q24T6JNJ
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM50332577
PNG
(CHEMBL1630728 | N-(2-(5-fluoro-1H-indol-3-yl)ethyl...)
Show SMILES CCCCNCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C14H19FN2/c1-2-3-7-16-8-6-11-10-17-14-5-4-12(15)9-13(11)14/h4-5,9-10,16-17H,2-3,6-8H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.03E+3n/an/an/an/an/an/a



Universite£? Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of recombinant MPO mediated taurine chlorination by microplate reader method


J Med Chem 53: 8747-59 (2010)


Article DOI: 10.1021/jm1009988
BindingDB Entry DOI: 10.7270/Q24T6JNJ
More data for this
Ligand-Target Pair