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BDBM357642 7-((3'-fluoro- [1,1'- biphenyl]-3- yl) methyl)- 3H- [1,2,3]triazolo [4,5-b] pyridin- 5-amine::US10214527, Example 14

SMILES: Nc1cc(Cc2cccc(c2)-c2cccc(F)c2)c2nn[nH]c2n1

InChI Key: InChIKey=CBCXLSJDXOMJRA-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 357642   
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))
BDBM357642
PNG
(7-((3'-fluoro- [1,1'- biphenyl]-3- yl) methyl)- 3H...)
Show SMILES Nc1cc(Cc2cccc(c2)-c2cccc(F)c2)c2nn[nH]c2n1
Show InChI InChI=1S/C18H14FN5/c19-15-6-2-5-13(9-15)12-4-1-3-11(7-12)8-14-10-16(20)21-18-17(14)22-24-23-18/h1-7,9-10H,8H2,(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))
BDBM357642
PNG
(7-((3'-fluoro- [1,1'- biphenyl]-3- yl) methyl)- 3H...)
Show SMILES Nc1cc(Cc2cccc(c2)-c2cccc(F)c2)c2nn[nH]c2n1
Show InChI InChI=1S/C18H14FN5/c19-15-6-2-5-13(9-15)12-4-1-3-11(7-12)8-14-10-16(20)21-18-17(14)22-24-23-18/h1-7,9-10H,8H2,(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 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