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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Myeloperoxidase' and Ligand = 'BDBM50554035'   
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))
BDBM50554035
PNG
(CHEMBL4790231)
Show SMILES Nc1cc([C@H](CCNC23CCC(CC2)(CC3)c2ccccc2)c2ccccc2)c2nn[nH]c2n1 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MPO (unknown origin) chlorination activity incubated for 10 mins followed by NaCl addition by aminophenyl fluorescein assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128010
BindingDB Entry DOI: 10.7270/Q2PZ5DKZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Myeloperoxidase


(Homo sapiens (Human))
BDBM50554035
PNG
(CHEMBL4790231)
Show SMILES Nc1cc([C@H](CCNC23CCC(CC2)(CC3)c2ccccc2)c2ccccc2)c2nn[nH]c2n1 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MPO incubated for 10 mins in presence of 120 mM NaCl by aminophenyl fluorescein based assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115723
BindingDB Entry DOI: 10.7270/Q21Z4829
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Myeloperoxidase


(Homo sapiens (Human))
BDBM50554035
PNG
(CHEMBL4790231)
Show SMILES Nc1cc([C@H](CCNC23CCC(CC2)(CC3)c2ccccc2)c2ccccc2)c2nn[nH]c2n1 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 4.20E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PMA-induced MPO in human Neutrophil incubated for 3 mins by luminometry


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115723
BindingDB Entry DOI: 10.7270/Q21Z4829
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)