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Patent code US10214527

Compile Data Set for Download or QSAR
Found 94 hits of Enzyme Inhibition Constant Data   
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))		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)
PDB
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UniProtKB/SwissProt

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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)

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)
PDB
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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)

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)
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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)

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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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)

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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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)

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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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)

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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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)

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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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)

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)
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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)

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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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)

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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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)

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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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)

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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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)

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)
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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)

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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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)

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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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)

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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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)

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)
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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)

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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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)

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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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)

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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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)

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)
PDB
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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)

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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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)

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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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)

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 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)

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 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)

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)

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)

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)

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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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)

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)

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)

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)

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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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)

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

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)

More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))		BDBM357655
PNG
(7-(3-(4- fluorophenoxy) benzyl)-3H- [1,2,3]triazol...)
Show SMILES Nc1cc(Cc2cccc(Oc3ccc(F)cc3)c2)c2nn[nH]c2n1
Show InChI InChI=1S/C18H14FN5O/c19-13-4-6-14(7-5-13)25-15-3-1-2-11(9-15)8-12-10-16(20)21-18-17(12)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)

More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))		BDBM357666
PNG
(7-(2- ((phenylsulfon- yl)methyl) benzyl)-3H- [1,2,...)
Show SMILES Nc1cc(Cc2ccccc2Cc2ccccc2)c2nn[nH]c2n1
Show InChI InChI=1S/C19H17N5/c20-17-12-16(18-19(21-17)23-24-22-18)11-15-9-5-4-8-14(15)10-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(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)

More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))		BDBM357668
PNG
((3-((5-amino- 3H- [1,2,3]triazolo [4,5-b] pyridin-...)
Show SMILES Nc1cc(Cc2cccc(c2)C(=O)c2ccccc2)c2nn[nH]c2n1
Show InChI InChI=1S/C19H15N5O/c20-16-11-15(17-19(21-16)23-24-22-17)10-12-5-4-8-14(9-12)18(25)13-6-2-1-3-7-13/h1-9,11H,10H2,(H3,20,21,22,23,24)
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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)

More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))		BDBM357669
PNG
(7-(4-(1,2,3- thiadiazol-4- yl)benzyl)-3H- [1,2,3]t...)
Show SMILES Nc1cc(Cc2ccc(cc2)-c2csnn2)c2nn[nH]c2n1
Show InChI InChI=1S/C14H11N7S/c15-12-6-10(13-14(16-12)19-20-18-13)5-8-1-3-9(4-2-8)11-7-22-21-17-11/h1-4,6-7H,5H2,(H3,15,16,18,19,20)
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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)

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)

More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))		BDBM357663
PNG
(7-(4-(tert- butyl)benzyl)- 3H-[1,2,31 triazolo[4,5...)
Show SMILES CC(C)(C)c1ccc(Cc2cc(N)nc3[nH]nnc23)cc1
Show InChI InChI=1S/C16H19N5/c1-16(2,3)12-6-4-10(5-7-12)8-11-9-13(17)18-15-14(11)19-21-20-15/h4-7,9H,8H2,1-3H3,(H3,17,18,19,20,21)
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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)

More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))		BDBM357671
PNG
(7-(2,4- difluorobenzyl)- 3H-[1,2,3] triazolo[4,5- ...)
Show SMILES Nc1cc(Cc2ccc(F)cc2F)c2nn[nH]c2n1
Show InChI InChI=1S/C12H9F2N5/c13-8-2-1-6(9(14)5-8)3-7-4-10(15)16-12-11(7)17-19-18-12/h1-2,4-5H,3H2,(H3,15,16,17,18,19)
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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)

More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))		BDBM357674
PNG
(US10214527, Example 46)
Show SMILES Nc1cc(Cc2cccc(c2)C(=O)NCc2ccccc2)c2nn[nH]c2n1
Show InChI InChI=1S/C20H18N6O/c21-17-11-16(18-19(23-17)25-26-24-18)10-14-7-4-8-15(9-14)20(27)22-12-13-5-2-1-3-6-13/h1-9,11H,10,12H2,(H,22,27)(H3,21,23,24,25,26)
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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)

More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))		BDBM357680
PNG
(7-(3-(1H- pyrazol-1- yl)benzyl)-3H- [1,2,3]triazol...)
Show SMILES Nc1cc(Cc2cccc(c2)-n2cccn2)c2nn[nH]c2n1
Show InChI InChI=1S/C15H13N7/c16-13-9-11(14-15(18-13)20-21-19-14)7-10-3-1-4-12(8-10)22-6-2-5-17-22/h1-6,8-9H,7H2,(H3,16,18,19,20,21)
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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)

More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))		BDBM357684
PNG
(7-(pyridin-3- ylmethyl)-3H- [1,2,3] triazolo[4,5- ...)
Show SMILES Nc1cc(Cc2cccnc2)c2nn[nH]c2n1
Show InChI InChI=1S/C11H10N6/c12-9-5-8(4-7-2-1-3-13-6-7)10-11(14-9)16-17-15-10/h1-3,5-6H,4H2,(H3,12,14,15,16,17)
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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)

More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))		BDBM357684
PNG
(7-(pyridin-3- ylmethyl)-3H- [1,2,3] triazolo[4,5- ...)
Show SMILES Nc1cc(Cc2cccnc2)c2nn[nH]c2n1
Show InChI InChI=1S/C11H10N6/c12-9-5-8(4-7-2-1-3-13-6-7)10-11(14-9)16-17-15-10/h1-3,5-6H,4H2,(H3,12,14,15,16,17)
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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)

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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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)

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

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)

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)

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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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)

More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))		BDBM357656
PNG
(7-(4- fluorobenzyl)- 3H- [1,2,3]triazolo [4,5-b]py...)
Show SMILES Nc1cc(Cc2ccc(F)cc2)c2nn[nH]c2n1
Show InChI InChI=1S/C12H10FN5/c13-9-3-1-7(2-4-9)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)

More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))		BDBM357657
PNG
(7-(3- (trifluorometh- oxy)benzyl)- 3H- [1,2,3]tria...)
Show SMILES Nc1cc(Cc2cccc(OC(F)(F)F)c2)c2nn[nH]c2n1
Show InChI InChI=1S/C13H10F3N5O/c14-13(15,16)22-9-3-1-2-7(5-9)4-8-6-10(17)18-12-11(8)19-21-20-12/h1-3,5-6H,4H2,(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)

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 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)

More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))		BDBM357675
PNG
(US10214527, Example 47)
Show SMILES Nc1cc(Cc2cccc(c2)C(=O)NCCc2ccccc2)c2nn[nH]c2n1
Show InChI InChI=1S/C21H20N6O/c22-18-13-17(19-20(24-18)26-27-25-19)12-15-7-4-8-16(11-15)21(28)23-10-9-14-5-2-1-3-6-14/h1-8,11,13H,9-10,12H2,(H,23,28)(H3,22,24,25,26,27)
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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)

More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))		BDBM357678
PNG
(US10214527, Example 50 | methyl 5-((5- amino-3H- [...)
Show SMILES Cc1cc(Cc2cc(N)nc3[nH]nnc23)ccc1F
Show InChI InChI=1S/C13H12FN5/c1-7-4-8(2-3-10(7)14)5-9-6-11(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)

More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))		BDBM357686
PNG
(7-((6- phenoxypyridin- 3- yl)methyl)- 3H- [1,2,3]t...)
Show SMILES Nc1cc(Cc2ccc(Oc3ccccc3)nc2)c2nn[nH]c2n1
Show InChI InChI=1S/C17H14N6O/c18-14-9-12(16-17(20-14)22-23-21-16)8-11-6-7-15(19-10-11)24-13-4-2-1-3-5-13/h1-7,9-10H,8H2,(H3,18,20,21,22,23)
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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)

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

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)

More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))		BDBM357648
PNG
(7- (benzo[d][1,3] dioxol-5- ylmethyl)-3H- [1,2,3]t...)
Show SMILES Nc1cc(Cc2ccc3OCOc3c2)c2nn[nH]c2n1
Show InChI InChI=1S/C13H11N5O2/c14-11-5-8(12-13(15-11)17-18-16-12)3-7-1-2-9-10(4-7)20-6-19-9/h1-2,4-5H,3,6H2,(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)

More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))		BDBM357665
PNG
(7-([1,1'- biphenyl]-4- ylmethyl)-3H- [1,2,3]triazo...)
Show SMILES Nc1cc(Cc2ccc(cc2)-c2ccccc2)c2nn[nH]c2n1
Show InChI InChI=1S/C18H15N5/c19-16-11-15(17-18(20-16)22-23-21-17)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,11H,10H2,(H3,19,20,21,22,23)
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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)

More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))		BDBM357667
PNG
((4-((5-amino- 3H- [1,2,3]triazolo [4,5-b] pyridin-...)
Show SMILES Nc1cc(Cc2ccc(cc2)C(=O)c2ccccc2)c2nn[nH]c2n1
Show InChI InChI=1S/C19H15N5O/c20-16-11-15(17-19(21-16)23-24-22-17)10-12-6-8-14(9-7-12)18(25)13-4-2-1-3-5-13/h1-9,11H,10H2,(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)

More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))		BDBM357671
PNG
(7-(2,4- difluorobenzyl)- 3H-[1,2,3] triazolo[4,5- ...)
Show SMILES Nc1cc(Cc2ccc(F)cc2F)c2nn[nH]c2n1
Show InChI InChI=1S/C12H9F2N5/c13-8-2-1-6(9(14)5-8)3-7-4-10(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)

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 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)

More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))		BDBM357675
PNG
(US10214527, Example 47)
Show SMILES Nc1cc(Cc2cccc(c2)C(=O)NCCc2ccccc2)c2nn[nH]c2n1
Show InChI InChI=1S/C21H20N6O/c22-18-13-17(19-20(24-18)26-27-25-19)12-15-7-4-8-16(11-15)21(28)23-10-9-14-5-2-1-3-6-14/h1-8,11,13H,9-10,12H2,(H,23,28)(H3,22,24,25,26,27)
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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)

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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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)

More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))		BDBM357679
PNG
(US10214527, Example 51)
Show SMILES COc1cccc(Cc2cc(N)nc3[nH]nnc23)n1
Show InChI InChI=1S/C12H12N6O/c1-19-10-4-2-3-8(14-10)5-7-6-9(13)15-12-11(7)16-18-17-12/h2-4,6H,5H2,1H3,(H3,13,15,16,17,18)
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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)

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)

More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))		BDBM357656
PNG
(7-(4- fluorobenzyl)- 3H- [1,2,3]triazolo [4,5-b]py...)
Show SMILES Nc1cc(Cc2ccc(F)cc2)c2nn[nH]c2n1
Show InChI InChI=1S/C12H10FN5/c13-9-3-1-7(2-4-9)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 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)

More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))		BDBM357665
PNG
(7-([1,1'- biphenyl]-4- ylmethyl)-3H- [1,2,3]triazo...)
Show SMILES Nc1cc(Cc2ccc(cc2)-c2ccccc2)c2nn[nH]c2n1
Show InChI InChI=1S/C18H15N5/c19-16-11-15(17-18(20-16)22-23-21-17)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,11H,10H2,(H3,19,20,21,22,23)
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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)

More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))		BDBM357668
PNG
((3-((5-amino- 3H- [1,2,3]triazolo [4,5-b] pyridin-...)
Show SMILES Nc1cc(Cc2cccc(c2)C(=O)c2ccccc2)c2nn[nH]c2n1
Show InChI InChI=1S/C19H15N5O/c20-16-11-15(17-19(21-16)23-24-22-17)10-12-5-4-8-14(9-12)18(25)13-6-2-1-3-7-13/h1-9,11H,10H2,(H3,20,21,22,23,24)
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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)

More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))		BDBM357677
PNG
(US10214527, Example 49)
Show SMILES Nc1cc(Cc2cccc(OCc3ccccc3)c2)c2nn[nH]c2n1
Show InChI InChI=1S/C19H17N5O/c20-17-11-15(18-19(21-17)23-24-22-18)9-14-7-4-8-16(10-14)25-12-13-5-2-1-3-6-13/h1-8,10-11H,9,12H2,(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)

More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))		BDBM357681
PNG
(7-(3-(3,5- dimethyl-1H- pyrazol-1-yl) benzyl)-3H- ...)
Show SMILES Cc1cc(C)n(n1)-c1cccc(Cc2cc(N)nc3[nH]nnc23)c1
Show InChI InChI=1S/C17H17N7/c1-10-6-11(2)24(22-10)14-5-3-4-12(8-14)7-13-9-15(18)19-17-16(13)20-23-21-17/h3-6,8-9H,7H2,1-2H3,(H3,18,19,20,21,23)
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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)

More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))		BDBM357682
PNG
(7-((6- methylpyridin- 2-yl)methyl)- 3H- [1,2,3]tri...)
Show SMILES Cc1cccc(Cc2cc(N)nc3[nH]nnc23)n1
Show InChI InChI=1S/C12H12N6/c1-7-3-2-4-9(14-7)5-8-6-10(13)15-12-11(8)16-18-17-12/h2-4,6H,5H2,1H3,(H3,13,15,16,17,18)
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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)

More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))		BDBM357683
PNG
(7-((6-(4- methoxyphenyl) pyridin-2-yl) methyl)-3H-...)
Show SMILES COc1ccc(cc1)-c1cccc(Cc2cc(N)nc3[nH]nnc23)n1
Show InChI InChI=1S/C18H16N6O/c1-25-14-7-5-11(6-8-14)15-4-2-3-13(20-15)9-12-10-16(19)21-18-17(12)22-24-23-18/h2-8,10H,9H2,1H3,(H3,19,21,22,23,24)
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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)

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)

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)

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)

More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))		BDBM357650
PNG
(7-((2,3- dihydro-1H- inden-5- yl)methyl)- 3H- [1,2...)
Show SMILES Nc1cc(Cc2ccc3CCCc3c2)c2nn[nH]c2n1
Show InChI InChI=1S/C15H15N5/c16-13-8-12(14-15(17-13)19-20-18-14)7-9-4-5-10-2-1-3-11(10)6-9/h4-6,8H,1-3,7H2,(H3,16,17,18,19,20)
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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)

More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))		BDBM357662
PNG
(7-(3,4- difluorobenzyl)- 3H-[1,2,3] triazolo[4,5- ...)
Show SMILES Nc1cc(Cc2ccc(F)c(F)c2)c2nn[nH]c2n1
Show InChI InChI=1S/C12H9F2N5/c13-8-2-1-6(4-9(8)14)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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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)

More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))		BDBM357662
PNG
(7-(3,4- difluorobenzyl)- 3H-[1,2,3] triazolo[4,5- ...)
Show SMILES Nc1cc(Cc2ccc(F)c(F)c2)c2nn[nH]c2n1
Show InChI InChI=1S/C12H9F2N5/c13-8-2-1-6(4-9(8)14)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)

More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))		BDBM357678
PNG
(US10214527, Example 50 | methyl 5-((5- amino-3H- [...)
Show SMILES Cc1cc(Cc2cc(N)nc3[nH]nnc23)ccc1F
Show InChI InChI=1S/C13H12FN5/c1-7-4-8(2-3-10(7)14)5-9-6-11(15)16-13-12(9)17-19-18-13/h2-4,6H,5H2,1H3,(H3,15,16,17,18,19)
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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)

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)

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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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)

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

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)

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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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)

More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))		BDBM357657
PNG
(7-(3- (trifluorometh- oxy)benzyl)- 3H- [1,2,3]tria...)
Show SMILES Nc1cc(Cc2cccc(OC(F)(F)F)c2)c2nn[nH]c2n1
Show InChI InChI=1S/C13H10F3N5O/c14-13(15,16)22-9-3-1-2-7(5-9)4-8-6-10(17)18-12-11(8)19-21-20-12/h1-3,5-6H,4H2,(H3,17,18,19,20,21)
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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)

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 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)

More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))		BDBM357660
PNG
(7-(4-(5- methyl-1,2,4- oxadiazol-3- yl) benzyl)- 3...)
Show SMILES Cc1nc(no1)-c1ccc(Cc2cc(N)nc3[nH]nnc23)cc1
Show InChI InChI=1S/C15H13N7O/c1-8-17-14(21-23-8)10-4-2-9(3-5-10)6-11-7-12(16)18-15-13(11)19-22-20-15/h2-5,7H,6H2,1H3,(H3,16,18,19,20,22)
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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)

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)

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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n/an/a 5.50E+3n/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)

More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))		BDBM357679
PNG
(US10214527, Example 51)
Show SMILES COc1cccc(Cc2cc(N)nc3[nH]nnc23)n1
Show InChI InChI=1S/C12H12N6O/c1-19-10-4-2-3-8(14-10)5-7-6-9(13)15-12-11(7)16-18-17-12/h2-4,6H,5H2,1H3,(H3,13,15,16,17,18)
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n/an/a 5.50E+3n/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)

More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))		BDBM357686
PNG
(7-((6- phenoxypyridin- 3- yl)methyl)- 3H- [1,2,3]t...)
Show SMILES Nc1cc(Cc2ccc(Oc3ccccc3)nc2)c2nn[nH]c2n1
Show InChI InChI=1S/C17H14N6O/c18-14-9-12(16-17(20-14)22-23-21-16)8-11-6-7-15(19-10-11)24-13-4-2-1-3-5-13/h1-7,9-10H,8H2,(H3,18,20,21,22,23)
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US Patent
n/an/a 5.50E+3n/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)

More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))		BDBM357654
PNG
(7-(3- (trifluorometh- yl)benzyl)-3H- [1,2,3]triazo...)
Show SMILES Nc1cc(Cc2cccc(c2)C(F)(F)F)c2nn[nH]c2n1
Show InChI InChI=1S/C13H10F3N5/c14-13(15,16)9-3-1-2-7(5-9)4-8-6-10(17)18-12-11(8)19-21-20-12/h1-3,5-6H,4H2,(H3,17,18,19,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/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)

More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))		BDBM357664
PNG
(7-(4- (trifluorometh- oxy)benzyl)- 3H- [1,2,3]tria...)
Show SMILES Nc1cc(Cc2ccc(O[F](F)(F)F)cc2)c2nn[nH]c2n1
Show InChI InChI=1S/C12H10F4N5O/c13-16(14,15)22-9-3-1-7(2-4-9)5-8-6-10(17)18-12-11(8)19-21-20-12/h1-4,6H,5H2,(H3,17,18,19,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/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)

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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/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)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%