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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Myeloperoxidase' and Ligand = 'BDBM50210131'   
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))
BDBM50210131
PNG
(CHEMBL3545483)
Show SMILES COc1cc(\C=N\Nc2nncc3ccccc23)ccc1O
Show InChI InChI=1S/C16H14N4O2/c1-22-15-8-11(6-7-14(15)21)9-17-19-16-13-5-3-2-4-12(13)10-18-20-16/h2-10,21H,1H3,(H,19,20)/b17-9+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 340n/an/an/an/an/an/a



Universit£ Libre de Bruxelles (ULB)

Curated by ChEMBL


Assay Description
Inhibition of human MPO


ACS Med Chem Lett 8: 206-210 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00417
BindingDB Entry DOI: 10.7270/Q28K7C3H
More data for this
Ligand-Target Pair