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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Myeloperoxidase' and Ligand = 'BDBM357649'   
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))
BDBM357649
PNG
(7-(5-chloro-2- fluorobenzyl)- 3H-[1,2,3] triazolo[...)
Show SMILES Nc1cc(Cc2cc(Cl)ccc2F)c2nn[nH]c2n1
Show InChI InChI=1S/C12H9ClFN5/c13-8-1-2-9(14)6(4-8)3-7-5-10(15)16-12-11(7)17-19-18-12/h1-2,4-5H,3H2,(H3,15,16,17,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/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))
BDBM357649
PNG
(7-(5-chloro-2- fluorobenzyl)- 3H-[1,2,3] triazolo[...)
Show SMILES Nc1cc(Cc2cc(Cl)ccc2F)c2nn[nH]c2n1
Show InChI InChI=1S/C12H9ClFN5/c13-8-1-2-9(14)6(4-8)3-7-5-10(15)16-12-11(7)17-19-18-12/h1-2,4-5H,3H2,(H3,15,16,17,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/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