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Compile Data Set for Download or QSAR

Found 9 hits of ic50 for UniProtKB: P11678   
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
Eosinophil peroxidase


(Human)
BDBM50106515
PNG
(7-Benzyloxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-y...)
Show SMILES Nc1nc(OCc2ccccc2)c2[nH]nnc2n1
Show InChI InChI=1S/C11H10N6O/c12-11-13-9-8(15-17-16-9)10(14-11)18-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,12,13,14,15,16,17)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human EPX bromination activity assessed as reduction in H2O2 catalyzed 3-bromo tyrosine formation from tyrosine and potassium bromide p...


ACS Med Chem Lett 9: 1175-1180 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00308
BindingDB Entry DOI: 10.7270/Q2W0997Z
More data for this
Ligand-Target Pair
Eosinophil peroxidase


(Human)
BDBM50507390
PNG
(CHEMBL4482878 | US10981879, Example 3)
Show SMILES Nc1cc(SCc2ccccc2F)c2nn[nH]c2n1
Show InChI InChI=1S/C12H10FN5S/c13-8-4-2-1-3-7(8)6-19-9-5-10(14)15-12-11(9)16-18-17-12/h1-5H,6H2,(H3,14,15,16,17,18)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human EPX bromination activity assessed as reduction in H2O2 catalyzed 3-bromo tyrosine formation from tyrosine and potassium bromide p...


ACS Med Chem Lett 9: 1175-1180 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00308
BindingDB Entry DOI: 10.7270/Q2W0997Z
More data for this
Ligand-Target Pair
Eosinophil peroxidase


(Human)
BDBM357629
PNG
(7-benzyl-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine ...)
Show SMILES Nc1cc(Cc2ccccc2)c2nn[nH]c2n1
Show InChI InChI=1S/C12H11N5/c13-10-7-9(6-8-4-2-1-3-5-8)11-12(14-10)16-17-15-11/h1-5,7H,6H2,(H3,13,14,15,16,17)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 32n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human EPX bromination activity using tyrosine as substrate by measuring 3-bromo tyrosine formation incubated for 10 mins


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115723
BindingDB Entry DOI: 10.7270/Q21Z4829
More data for this
Ligand-Target Pair
Eosinophil peroxidase


(Human)
BDBM434842
PNG
(7-{18-oxa-3,4,10-triazatetracyclo[17.3.1.13,6.113,...)
Show SMILES Nc1cc([C@@H]2CCNCCc3cccc(Oc4cccc(Cn5cc2cn5)c4)c3)c2nn[nH]c2n1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 37n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
EPX bromination activity was measured in 100 mM KPi (pH 7.4) by monitoring the H2O2 catalyzed formation of 3-bromo tyrosine from tyrosine and potassi...


US Patent US10577383 (2020)


BindingDB Entry DOI: 10.7270/Q2474D8B
More data for this
Ligand-Target Pair
Eosinophil peroxidase


(Human)
BDBM434844
PNG
(7-{14′-Oxa-3′,4′,10′-triaz...)
Show SMILES Nc1cc([C@H]2CCNCC3(CC3)COc3cccc(Cn4cc2cn4)c3)c2nn[nH]c2n1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 63n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
EPX bromination activity was measured in 100 mM KPi (pH 7.4) by monitoring the H2O2 catalyzed formation of 3-bromo tyrosine from tyrosine and potassi...


US Patent US10577383 (2020)


BindingDB Entry DOI: 10.7270/Q2474D8B
More data for this
Ligand-Target Pair
Eosinophil peroxidase


(Human)
BDBM50554034
PNG
(CHEMBL4747269)
Show SMILES Nc1cc([C@H](CCN[C@H]2C[C@H](c3ccccc23)c2ccccc2)c2ccccc2)c2nn[nH]c2n1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 92n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human EPX bromination activity using tyrosine as substrate by measuring 3-bromo tyrosine formation incubated for 10 mins


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115723
BindingDB Entry DOI: 10.7270/Q21Z4829
More data for this
Ligand-Target Pair
Eosinophil peroxidase


(Human)
BDBM434841
PNG
(7-{18-oxa-3,4,10-triazatetracyclo[17.3.1.13,6.112,...)
Show SMILES Nc1cc(C2CCNCc3cccc(COc4cccc(Cn5cc2cn5)c4)c3)c2nn[nH]c2n1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 190n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
EPX bromination activity was measured in 100 mM KPi (pH 7.4) by monitoring the H2O2 catalyzed formation of 3-bromo tyrosine from tyrosine and potassi...


US Patent US10577383 (2020)


BindingDB Entry DOI: 10.7270/Q2474D8B
More data for this
Ligand-Target Pair
Eosinophil peroxidase


(Human)
BDBM434843
PNG
(7-{3-Oxa-10,11,17-triazatetracyclo[16.2.2.14,8.110...)
Show SMILES Nc1cc(C2CCNC3CCC(CC3)COc3cccc(Cn4cc2cn4)c3)c2nn[nH]c2n1 |(-4.53,-6.28,;-3.2,-5.51,;-3.2,-3.97,;-1.86,-3.2,;-1.86,-1.66,;-.53,-.89,;.8,-1.66,;2.14,-.89,;5.57,1.94,;4.09,2.33,;2.6,1.94,;1.83,3.28,;3.31,2.89,;4.8,3.28,;.49,2.51,;.09,3.99,;-1.39,4.39,;-1.79,5.88,;-3.28,6.28,;-4.37,5.19,;-3.97,3.7,;-5.06,2.61,;-4.66,1.13,;-3.2,.65,;-3.2,-.89,;-4.66,-1.37,;-5.57,-.12,;-2.48,3.3,;-.53,-3.97,;.94,-3.49,;1.84,-4.74,;.94,-5.99,;-.53,-5.51,;-1.86,-6.28,)|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 220n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
EPX bromination activity was measured in 100 mM KPi (pH 7.4) by monitoring the H2O2 catalyzed formation of 3-bromo tyrosine from tyrosine and potassi...


US Patent US10577383 (2020)


BindingDB Entry DOI: 10.7270/Q2474D8B
More data for this
Ligand-Target Pair
Eosinophil peroxidase


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

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 360n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human EPX bromination activity using tyrosine as substrate by measuring 3-bromo tyrosine formation incubated for 10 mins


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115723
BindingDB Entry DOI: 10.7270/Q21Z4829
More data for this
Ligand-Target Pair