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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Myeloperoxidase' and Ligand = 'BDBM357668'   
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))
BDBM357668
PNG
((3-((5-amino- 3H- [1,2,3]triazolo [4,5-b] pyridin-...)
Show SMILES Nc1cc(Cc2cccc(c2)C(=O)c2ccccc2)c2nn[nH]c2n1
Show InChI InChI=1S/C19H15N5O/c20-16-11-15(17-19(21-16)23-24-22-17)10-12-5-4-8-14(9-12)18(25)13-6-2-1-3-7-13/h1-9,11H,10H2,(H3,20,21,22,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 500n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
MPO peroxidation activity was measured in 100 mM KPi (pH 7.4) by utilizing the non-fluorescent reagent Amplex Red (Invitrogen catalog # A12222) which...


US Patent US10214527 (2019)


BindingDB Entry DOI: 10.7270/Q2DR2XRQ
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM357668
PNG
((3-((5-amino- 3H- [1,2,3]triazolo [4,5-b] pyridin-...)
Show SMILES Nc1cc(Cc2cccc(c2)C(=O)c2ccccc2)c2nn[nH]c2n1
Show InChI InChI=1S/C19H15N5O/c20-16-11-15(17-19(21-16)23-24-22-17)10-12-5-4-8-14(9-12)18(25)13-6-2-1-3-7-13/h1-9,11H,10H2,(H3,20,21,22,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 500n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
MPO chlorination activity was measured in 100 mM KPi (pH 7.4) by utilizing the non-fluorescent reagent Aminophenyl fluorescein (APF, Invitrogen catal...


US Patent US10214527 (2019)


BindingDB Entry DOI: 10.7270/Q2DR2XRQ
More data for this
Ligand-Target Pair