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BDBM357694 US10214527, Example 66

SMILES: Nc1cc(Cc2cccc3nn(Cc4ccccc4)cc23)c2nn[nH]c2n1

InChI Key: InChIKey=FJUXPOHGLXIRSV-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 357694   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Myeloperoxidase


(Homo sapiens (Human))
BDBM357694
PNG
(US10214527, Example 66)
Show SMILES Nc1cc(Cc2cccc3nn(Cc4ccccc4)cc23)c2nn[nH]c2n1
Show InChI InChI=1S/C20H17N7/c21-18-10-15(19-20(22-18)24-26-23-19)9-14-7-4-8-17-16(14)12-27(25-17)11-13-5-2-1-3-6-13/h1-8,10,12H,9,11H2,(H3,21,22,23,24,26)
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))
BDBM357694
PNG
(US10214527, Example 66)
Show SMILES Nc1cc(Cc2cccc3nn(Cc4ccccc4)cc23)c2nn[nH]c2n1
Show InChI InChI=1S/C20H17N7/c21-18-10-15(19-20(22-18)24-26-23-19)9-14-7-4-8-17-16(14)12-27(25-17)11-13-5-2-1-3-6-13/h1-8,10,12H,9,11H2,(H3,21,22,23,24,26)
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