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Compile Data Set for Download or QSAR

Found 94 hits Enz. Inhib. hit(s) with all data for entry = 2222   
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))
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
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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
Myeloperoxidase


(Homo sapiens (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
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UniProtKB/SwissProt

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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))
BDBM357630
PNG
(7-(3- chlorobenzyl)- 3H- [1,2,3]triazolo [4,5-b]py...)
Show SMILES Nc1cc(Cc2cccc(Cl)c2)c2nn[nH]c2n1
Show InChI InChI=1S/C12H10ClN5/c13-9-3-1-2-7(5-9)4-8-6-10(14)15-12-11(8)16-18-17-12/h1-3,5-6H,4H2,(H3,14,15,16,17,18)
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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))
BDBM357635
PNG
(US10214527, Example 13 | US10214527, Example 30 | ...)
Show SMILES Cc1cccc(Cc2cc(N)nc3[nH]nnc23)c1
Show InChI InChI=1S/C13H13N5/c1-8-3-2-4-9(5-8)6-10-7-11(14)15-13-12(10)16-18-17-13/h2-5,7H,6H2,1H3,(H3,14,15,16,17,18)
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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))
BDBM357636
PNG
(3-((5-amino- 3H- [1,2,3]triazolo [4,5-b] pyridin- ...)
Show SMILES Nc1cc(Cc2cc(ccc2F)C#N)c2nn[nH]c2n1
Show InChI InChI=1S/C13H9FN6/c14-10-2-1-7(6-15)3-8(10)4-9-5-11(16)17-13-12(9)18-20-19-13/h1-3,5H,4H2,(H3,16,17,18,19,20)
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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))
BDBM357637
PNG
(7-(2-fluoro-3- methylbenzyl)- 3H- [1,2,3]triazolo ...)
Show SMILES Cc1cccc(Cc2cc(N)nc3[nH]nnc23)c1F
Show InChI InChI=1S/C13H12FN5/c1-7-3-2-4-8(11(7)14)5-9-6-10(15)16-13-12(9)17-19-18-13/h2-4,6H,5H2,1H3,(H3,15,16,17,18,19)
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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)
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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
Myeloperoxidase


(Homo sapiens (Human))
BDBM357644
PNG
(7-(3- benzylbenzyl)- 3H- [1,2,3]triazolo [4,5-b]py...)
Show SMILES Nc1cc(Cc2cccc(Cc3ccccc3)c2)c2nn[nH]c2n1
Show InChI InChI=1S/C19H17N5/c20-17-12-16(18-19(21-17)23-24-22-18)11-15-8-4-7-14(10-15)9-13-5-2-1-3-6-13/h1-8,10,12H,9,11H2,(H3,20,21,22,23,24)
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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
Myeloperoxidase


(Homo sapiens (Human))
BDBM357644
PNG
(7-(3- benzylbenzyl)- 3H- [1,2,3]triazolo [4,5-b]py...)
Show SMILES Nc1cc(Cc2cccc(Cc3ccccc3)c2)c2nn[nH]c2n1
Show InChI InChI=1S/C19H17N5/c20-17-12-16(18-19(21-17)23-24-22-18)11-15-8-4-7-14(10-15)9-13-5-2-1-3-6-13/h1-8,10,12H,9,11H2,(H3,20,21,22,23,24)
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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))
BDBM357645
PNG
(US10214527, Example 17)
Show SMILES Nc1cc(Cc2cccc(c2)-c2ccccc2)c2nn[nH]c2n1
Show InChI InChI=1S/C18H15N5/c19-16-11-15(17-18(20-16)22-23-21-17)10-12-5-4-8-14(9-12)13-6-2-1-3-7-13/h1-9,11H,10H2,(H3,19,20,21,22,23)
PDB
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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))
BDBM357646
PNG
(7-(3-chloro- 2,6- difluorobenzyl)- 3H- [1,2,3]tria...)
Show SMILES Nc1cc(Cc2c(F)ccc(Cl)c2F)c2nn[nH]c2n1
Show InChI InChI=1S/C12H8ClF2N5/c13-7-1-2-8(14)6(10(7)15)3-5-4-9(16)17-12-11(5)18-20-19-12/h1-2,4H,3H2,(H3,16,17,18,19,20)
PDB
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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)
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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))
BDBM357651
PNG
(7-(2- fluorobenzyl)- 3H- [1,2,3]triazolo [4,5-b]py...)
Show SMILES Nc1cc(Cc2ccccc2F)c2nn[nH]c2n1
Show InChI InChI=1S/C12H10FN5/c13-9-4-2-1-3-7(9)5-8-6-10(14)15-12-11(8)16-18-17-12/h1-4,6H,5H2,(H3,14,15,16,17,18)
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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))
BDBM357652
PNG
(7-(3- fluorobenzyl)- 3H- [1,2,3]triazolo [4,5-b]py...)
Show SMILES Nc1cc(Cc2cccc(F)c2)c2nn[nH]c2n1
Show InChI InChI=1S/C12H10FN5/c13-9-3-1-2-7(5-9)4-8-6-10(14)15-12-11(8)16-18-17-12/h1-3,5-6H,4H2,(H3,14,15,16,17,18)
PDB
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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))
BDBM357653
PNG
(3-((5-amino- 3H- [1,2,3]triazolo [4,5-b] pyridin- ...)
Show SMILES Nc1cc(Cc2cccc(c2)C#N)c2nn[nH]c2n1
Show InChI InChI=1S/C13H10N6/c14-7-9-3-1-2-8(4-9)5-10-6-11(15)16-13-12(10)17-19-18-13/h1-4,6H,5H2,(H3,15,16,17,18,19)
PDB
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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))
BDBM357635
PNG
(US10214527, Example 13 | US10214527, Example 30 | ...)
Show SMILES Cc1cccc(Cc2cc(N)nc3[nH]nnc23)c1
Show InChI InChI=1S/C13H13N5/c1-8-3-2-4-9(5-8)6-10-7-11(14)15-13-12(10)16-18-17-13/h2-5,7H,6H2,1H3,(H3,14,15,16,17,18)
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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))
BDBM357659
PNG
(7-(3,5- dimethylbenzyl)- 3H-[1,2,3] triazolo[4,5- ...)
Show SMILES Cc1cc(C)cc(Cc2cc(N)nc3[nH]nnc23)c1
Show InChI InChI=1S/C14H15N5/c1-8-3-9(2)5-10(4-8)6-11-7-12(15)16-14-13(11)17-19-18-14/h3-5,7H,6H2,1-2H3,(H3,15,16,17,18,19)
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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))
BDBM357661
PNG
(7-(2,6- difluorobenzyl)- 3H-[1,2,3] triazolo[4,5- ...)
Show SMILES Nc1cc(Cc2c(F)cccc2F)c2nn[nH]c2n1
Show InChI InChI=1S/C12H9F2N5/c13-8-2-1-3-9(14)7(8)4-6-5-10(15)16-12-11(6)17-19-18-12/h1-3,5H,4H2,(H3,15,16,17,18,19)
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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))
BDBM357670
PNG
(7-(2,5- difluorobenzyl)- 3H-[1,2,3] triazolo[4,5- ...)
Show SMILES Nc1cc(Cc2cc(F)ccc2F)c2nn[nH]c2n1
Show InChI InChI=1S/C12H9F2N5/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)
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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))
BDBM357672
PNG
(7-(2,3- difluorobenzyl)- 3H-[1,2,3] triazolo[4,5- ...)
Show SMILES Nc1cc(Cc2cccc(F)c2F)c2nn[nH]c2n1
Show InChI InChI=1S/C12H9F2N5/c13-8-3-1-2-6(10(8)14)4-7-5-9(15)16-12-11(7)17-19-18-12/h1-3,5H,4H2,(H3,15,16,17,18,19)
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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))
BDBM357673
PNG
(7-(3-chloro-2- fluorobenzyl)- 3H-[1,2,3] triazolo[...)
Show SMILES Nc1cc(Cc2cccc(Cl)c2F)c2nn[nH]c2n1
Show InChI InChI=1S/C12H9ClFN5/c13-8-3-1-2-6(10(8)14)4-7-5-9(15)16-12-11(7)17-19-18-12/h1-3,5H,4H2,(H3,15,16,17,18,19)
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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))
BDBM357676
PNG
(US10214527, Example 48)
Show SMILES Nc1cc(Cc2cccc(c2)-c2ccn(Cc3ccccc3)n2)c2nn[nH]c2n1
Show InChI InChI=1S/C22H19N7/c23-20-13-18(21-22(24-20)26-28-25-21)12-16-7-4-8-17(11-16)19-9-10-29(27-19)14-15-5-2-1-3-6-15/h1-11,13H,12,14H2,(H3,23,24,25,26,28)
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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))
BDBM357685
PNG
(7-((5- chloropyridin- 3-yl)methyl)- 3H- [1,2,3]tri...)
Show SMILES Nc1cc(Cc2cncc(Cl)c2)c2nn[nH]c2n1
Show InChI InChI=1S/C11H9ClN6/c12-8-2-6(4-14-5-8)1-7-3-9(13)15-11-10(7)16-18-17-11/h2-5H,1H2,(H3,13,15,16,17,18)
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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))
BDBM357687
PNG
(US10214527, Example 59)
Show SMILES Nc1cc(Cc2cccc3n(Cc4ccccc4)ccc23)c2nn[nH]c2n1
Show InChI InChI=1S/C21H18N6/c22-19-12-16(20-21(23-19)25-26-24-20)11-15-7-4-8-18-17(15)9-10-27(18)13-14-5-2-1-3-6-14/h1-10,12H,11,13H2,(H3,22,23,24,25,26)
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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))
BDBM357689
PNG
(US10214527, Example 61)
Show SMILES Nc1cc(Cc2cccc3n(Cc4cccc(c4)-c4ccccc4)ccc23)c2nn[nH]c2n1
Show InChI InChI=1S/C27H22N6/c28-25-16-22(26-27(29-25)31-32-30-26)15-21-10-5-11-24-23(21)12-13-33(24)17-18-6-4-9-20(14-18)19-7-2-1-3-8-19/h1-14,16H,15,17H2,(H3,28,29,30,31,32)
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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))
BDBM357690
PNG
(US10214527, Example 62)
Show SMILES Nc1cc(Cc2cccc3n(Cc4cccc(Cc5ccccc5)c4)ccc23)c2nn[nH]c2n1
Show InChI InChI=1S/C28H24N6/c29-26-17-23(27-28(30-26)32-33-31-27)16-22-10-5-11-25-24(22)12-13-34(25)18-21-9-4-8-20(15-21)14-19-6-2-1-3-7-19/h1-13,15,17H,14,16,18H2,(H3,29,30,31,32,33)
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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
Myeloperoxidase


(Homo sapiens (Human))
BDBM357690
PNG
(US10214527, Example 62)
Show SMILES Nc1cc(Cc2cccc3n(Cc4cccc(Cc5ccccc5)c4)ccc23)c2nn[nH]c2n1
Show InChI InChI=1S/C28H24N6/c29-26-17-23(27-28(30-26)32-33-31-27)16-22-10-5-11-25-24(22)12-13-34(25)18-21-9-4-8-20(15-21)14-19-6-2-1-3-7-19/h1-13,15,17H,14,16,18H2,(H3,29,30,31,32,33)
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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))
BDBM357691
PNG
(US10214527, Example 63)
Show SMILES Nc1cc(Cc2cccc3n(Cc4cccc(OCc5ccccc5)c4)ccc23)c2nn[nH]c2n1
Show InChI InChI=1S/C28H24N6O/c29-26-16-22(27-28(30-26)32-33-31-27)15-21-9-5-11-25-24(21)12-13-34(25)17-20-8-4-10-23(14-20)35-18-19-6-2-1-3-7-19/h1-14,16H,15,17-18H2,(H3,29,30,31,32,33)
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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
Myeloperoxidase


(Homo sapiens (Human))
BDBM357691
PNG
(US10214527, Example 63)
Show SMILES Nc1cc(Cc2cccc3n(Cc4cccc(OCc5ccccc5)c4)ccc23)c2nn[nH]c2n1
Show InChI InChI=1S/C28H24N6O/c29-26-16-22(27-28(30-26)32-33-31-27)15-21-9-5-11-25-24(21)12-13-34(25)17-20-8-4-10-23(14-20)35-18-19-6-2-1-3-7-19/h1-14,16H,15,17-18H2,(H3,29,30,31,32,33)
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Bristol-Myers Squibb Company

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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))
BDBM357692
PNG
(US10214527, Example 64)
Show SMILES Nc1cc(Cc2cccc3n(Cc4cccc(F)c4)ccc23)c2nn[nH]c2n1
Show InChI InChI=1S/C21H17FN6/c22-16-5-1-3-13(9-16)12-28-8-7-17-14(4-2-6-18(17)28)10-15-11-19(23)24-21-20(15)25-27-26-21/h1-9,11H,10,12H2,(H3,23,24,25,26,27)
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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))
BDBM357693
PNG
(US10214527, Example 65)
Show SMILES Nc1cc(Cc2cccc3n(Cc4ccccc4)ncc23)c2nn[nH]c2n1
Show InChI InChI=1S/C20H17N7/c21-18-10-15(19-20(23-18)25-26-24-19)9-14-7-4-8-17-16(14)11-22-27(17)12-13-5-2-1-3-6-13/h1-8,10-11H,9,12H2,(H3,21,23,24,25,26)
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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
Myeloperoxidase


(Homo sapiens (Human))
BDBM357693
PNG
(US10214527, Example 65)
Show SMILES Nc1cc(Cc2cccc3n(Cc4ccccc4)ncc23)c2nn[nH]c2n1
Show InChI InChI=1S/C20H17N7/c21-18-10-15(19-20(23-18)25-26-24-19)9-14-7-4-8-17-16(14)11-22-27(17)12-13-5-2-1-3-6-13/h1-8,10-11H,9,12H2,(H3,21,23,24,25,26)
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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)
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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
Myeloperoxidase


(Homo sapiens (Human))
BDBM357631
PNG
(7-(4- methylbenzyl)- 3H- [1,2,3]triazolo [4,5-b]py...)
Show SMILES COc1ccc(Cc2cc(N)nc3[nH]nnc23)cc1
Show InChI InChI=1S/C13H13N5O/c1-19-10-4-2-8(3-5-10)6-9-7-11(14)15-13-12(9)16-18-17-13/h2-5,7H,6H2,1H3,(H3,14,15,16,17,18)
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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))
BDBM357696
PNG
(US10214527, Example 68)
Show SMILES Cn1ncc2cc(Cc3cc(N)nc4[nH]nnc34)ccc12
Show InChI InChI=1S/C14H13N7/c1-21-11-3-2-8(5-10(11)7-16-21)4-9-6-12(15)17-14-13(9)18-20-19-14/h2-3,5-7H,4H2,1H3,(H3,15,17,18,19,20)
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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))
BDBM357633
PNG
(7-(2- chlorobenzyl)- 3H- [1,2,3]triazolo [4,5-b]py...)
Show SMILES Nc1cc(Cc2ccccc2Cl)c2nn[nH]c2n1
Show InChI InChI=1S/C12H10ClN5/c13-9-4-2-1-3-7(9)5-8-6-10(14)15-12-11(8)16-18-17-12/h1-4,6H,5H2,(H3,14,15,16,17,18)
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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))
BDBM357634
PNG
(7-(naphthalen- 2-ylmethyl)- 3H-[1,2,3] triazolo[4,...)
Show SMILES Nc1cc(Cc2ccc3ccccc3c2)c2nn[nH]c2n1
Show InChI InChI=1S/C16H13N5/c17-14-9-13(15-16(18-14)20-21-19-15)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,9H,8H2,(H3,17,18,19,20,21)
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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))
BDBM357638
PNG
(US10214527, Example 10 | methyl 4-((5- amino-3H- [...)
Show SMILES COc1cc(C)ccc1Cc1cc(N)nc2[nH]nnc12
Show InChI InChI=1S/C14H15N5O/c1-8-3-4-9(11(5-8)20-2)6-10-7-12(15)16-14-13(10)17-19-18-14/h3-5,7H,6H2,1-2H3,(H3,15,16,17,18,19)
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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))
BDBM357639
PNG
(7-(4-(1H- pyrazol-1- yl)benzyl)-3H- [1,2,3]triazol...)
Show SMILES Nc1cc(Cc2ccc(cc2)-n2cccn2)c2nn[nH]c2n1
Show InChI InChI=1S/C15H13N7/c16-13-9-11(14-15(18-13)20-21-19-14)8-10-2-4-12(5-3-10)22-7-1-6-17-22/h1-7,9H,8H2,(H3,16,18,19,20,21)
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Bristol-Myers Squibb Company

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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
Myeloperoxidase


(Homo sapiens (Human))
BDBM357639
PNG
(7-(4-(1H- pyrazol-1- yl)benzyl)-3H- [1,2,3]triazol...)
Show SMILES Nc1cc(Cc2ccc(cc2)-n2cccn2)c2nn[nH]c2n1
Show InChI InChI=1S/C15H13N7/c16-13-9-11(14-15(18-13)20-21-19-14)8-10-2-4-12(5-3-10)22-7-1-6-17-22/h1-7,9H,8H2,(H3,16,18,19,20,21)
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Bristol-Myers Squibb Company

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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))
BDBM357640
PNG
(US10214527, Example 12 | tert-butyl 6- ((5-amino-3...)
Show SMILES CC(C)(C)OC(=O)N1CCCc2cc(Cc3cc(N)nc4[nH]nnc34)ccc12
Show InChI InChI=1S/C20H24N6O2/c1-20(2,3)28-19(27)26-8-4-5-13-9-12(6-7-15(13)26)10-14-11-16(21)22-18-17(14)23-25-24-18/h6-7,9,11H,4-5,8,10H2,1-3H3,(H3,21,22,23,24,25)
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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))
BDBM357631
PNG
(7-(4- methylbenzyl)- 3H- [1,2,3]triazolo [4,5-b]py...)
Show SMILES COc1ccc(Cc2cc(N)nc3[nH]nnc23)cc1
Show InChI InChI=1S/C13H13N5O/c1-19-10-4-2-8(3-5-10)6-9-7-11(14)15-13-12(9)16-18-17-13/h2-5,7H,6H2,1H3,(H3,14,15,16,17,18)
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Bristol-Myers Squibb Company

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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))
BDBM357695
PNG
(US10214527, Example 67)
Show SMILES Cn1ncc2ccc(Cc3cc(N)nc4[nH]nnc34)cc12
Show InChI InChI=1S/C14H13N7/c1-21-11-5-8(2-3-9(11)7-16-21)4-10-6-12(15)17-14-13(10)18-20-19-14/h2-3,5-7H,4H2,1H3,(H3,15,17,18,19,20)
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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)
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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)
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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
Myeloperoxidase


(Homo sapiens (Human))
BDBM357692
PNG
(US10214527, Example 64)
Show SMILES Nc1cc(Cc2cccc3n(Cc4cccc(F)c4)ccc23)c2nn[nH]c2n1
Show InChI InChI=1S/C21H17FN6/c22-16-5-1-3-13(9-16)12-28-8-7-17-14(4-2-6-18(17)28)10-15-11-19(23)24-21-20(15)25-27-26-21/h1-9,11H,10,12H2,(H3,23,24,25,26,27)
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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
Myeloperoxidase


(Homo sapiens (Human))
BDBM357688
PNG
(US10214527, Example 60)
Show SMILES CCn1ccc2c(Cc3cc(N)nc4[nH]nnc34)cccc12
Show InChI InChI=1S/C16H16N6/c1-2-22-7-6-12-10(4-3-5-13(12)22)8-11-9-14(17)18-16-15(11)19-21-20-16/h3-7,9H,2,8H2,1H3,(H3,17,18,19,20,21)
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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)
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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))
BDBM357643
PNG
(7-((4'-methyl- [1,1'- biphenyl]-3- yl) methyl)- 3H...)
Show SMILES Cc1ccc(cc1)-c1cccc(Cc2cc(N)nc3[nH]nnc23)c1
Show InChI InChI=1S/C19H17N5/c1-12-5-7-14(8-6-12)15-4-2-3-13(9-15)10-16-11-17(20)21-19-18(16)22-24-23-19/h2-9,11H,10H2,1H3,(H3,20,21,22,23,24)
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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))
BDBM357647
PNG
(7-((6- fluoronaphthalen- 2- yl)methyl)- 3H- [1,2,3...)
Show SMILES Nc1cc(Cc2ccc3cc(F)ccc3c2)c2nn[nH]c2n1
Show InChI InChI=1S/C16H12FN5/c17-13-4-3-10-5-9(1-2-11(10)7-13)6-12-8-14(18)19-16-15(12)20-22-21-16/h1-5,7-8H,6H2,(H3,18,19,20,21,22)
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UniProtKB/SwissProt

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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
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