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PubMed code 26487910

Compile data set for download or QSAR
Found 50 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))
BDBM50499544
PNG
(CHEMBL3740127)
Show SMILES Fc1ccc2[nH]c(=S)n(Nc3ncc(cc3Cl)C(F)(F)F)c(=O)c2c1
Show InChI InChI=1S/C14H7ClF4N4OS/c15-9-3-6(14(17,18)19)5-20-11(9)22-23-12(24)8-4-7(16)1-2-10(8)21-13(23)25/h1-5H,(H,20,22)(H,21,25)
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n/an/a 100n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant myeloperoxidase by amplex red assay


ACS Med Chem Lett 6: 1047-52 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00287
BindingDB Entry DOI: 10.7270/Q26W9F24
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM50499533
PNG
(CHEMBL3740322)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Nn1c(=S)[nH]c2ccc(F)cc2c1=O
Show InChI InChI=1S/C15H9FN4O4S/c16-9-3-6-12-11(7-9)14(22)19(15(25)17-12)18-13(21)8-1-4-10(5-2-8)20(23)24/h1-7H,(H,17,25)(H,18,21)
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Emory University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant myeloperoxidase by amplex red assay


ACS Med Chem Lett 6: 1047-52 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00287
BindingDB Entry DOI: 10.7270/Q26W9F24
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM50499557
PNG
(CHEMBL3739661)
Show SMILES Fc1ccc2[nH]c(=S)n(NC(=O)c3ccc(cc3)C(F)(F)F)c(=O)c2c1
Show InChI InChI=1S/C16H9F4N3O2S/c17-10-5-6-12-11(7-10)14(25)23(15(26)21-12)22-13(24)8-1-3-9(4-2-8)16(18,19)20/h1-7H,(H,21,26)(H,22,24)
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Emory University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant myeloperoxidase by amplex red assay


ACS Med Chem Lett 6: 1047-52 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00287
BindingDB Entry DOI: 10.7270/Q26W9F24
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM50499553
PNG
(CHEMBL3740646)
Show SMILES Fc1cccc(c1)C(=O)Nn1c(=S)[nH]c2ccc(F)cc2c1=O
Show InChI InChI=1S/C15H9F2N3O2S/c16-9-3-1-2-8(6-9)13(21)19-20-14(22)11-7-10(17)4-5-12(11)18-15(20)23/h1-7H,(H,18,23)(H,19,21)
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Emory University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant myeloperoxidase by amplex red assay


ACS Med Chem Lett 6: 1047-52 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00287
BindingDB Entry DOI: 10.7270/Q26W9F24
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM50499543
PNG
(CHEMBL3741401)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nn1c(=S)[nH]c2ccc(F)cc2c1=O
Show InChI InChI=1S/C15H12FN3O3S2/c1-9-2-5-11(6-3-9)24(21,22)18-19-14(20)12-8-10(16)4-7-13(12)17-15(19)23/h2-8,18H,1H3,(H,17,23)
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Emory University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant myeloperoxidase by amplex red assay


ACS Med Chem Lett 6: 1047-52 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00287
BindingDB Entry DOI: 10.7270/Q26W9F24
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM50499541
PNG
(CHEMBL3740039)
Show SMILES Fc1ccc2[nH]c(=S)n(NC(=O)c3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C15H10FN3O2S/c16-10-6-7-12-11(8-10)14(21)19(15(22)17-12)18-13(20)9-4-2-1-3-5-9/h1-8H,(H,17,22)(H,18,20)
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Emory University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant myeloperoxidase by amplex red assay


ACS Med Chem Lett 6: 1047-52 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00287
BindingDB Entry DOI: 10.7270/Q26W9F24
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM50499545
PNG
(CHEMBL3741073)
Show SMILES Fc1ccc(Nn2c(=S)[nH]c3ccc(F)cc3c2=O)cc1
Show InChI InChI=1S/C14H9F2N3OS/c15-8-1-4-10(5-2-8)18-19-13(20)11-7-9(16)3-6-12(11)17-14(19)21/h1-7,18H,(H,17,21)
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Emory University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant myeloperoxidase by amplex red assay


ACS Med Chem Lett 6: 1047-52 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00287
BindingDB Entry DOI: 10.7270/Q26W9F24
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM50499554
PNG
(CHEMBL3740920)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)Nn1c(=S)[nH]c2cc3OCCOc3cc2c1=O
Show InChI InChI=1S/C18H12F3N3O4S/c19-18(20,21)10-3-1-9(2-4-10)15(25)23-24-16(26)11-7-13-14(28-6-5-27-13)8-12(11)22-17(24)29/h1-4,7-8H,5-6H2,(H,22,29)(H,23,25)
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Emory University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant myeloperoxidase by amplex red assay


ACS Med Chem Lett 6: 1047-52 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00287
BindingDB Entry DOI: 10.7270/Q26W9F24
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM50499560
PNG
(CHEMBL3739975)
Show SMILES Nn1c(=S)[nH]c2ccc(F)cc2c1=O
Show InChI InChI=1S/C8H6FN3OS/c9-4-1-2-6-5(3-4)7(13)12(10)8(14)11-6/h1-3H,10H2,(H,11,14)
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Emory University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant myeloperoxidase by amplex red assay


ACS Med Chem Lett 6: 1047-52 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00287
BindingDB Entry DOI: 10.7270/Q26W9F24
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM50499534
PNG
(CHEMBL3740464)
Show SMILES Fc1ccc2[nH]c(=S)n(NC(=O)c3ccc(CN4CCCCC4)cc3)c(=O)c2c1
Show InChI InChI=1S/C21H21FN4O2S/c22-16-8-9-18-17(12-16)20(28)26(21(29)23-18)24-19(27)15-6-4-14(5-7-15)13-25-10-2-1-3-11-25/h4-9,12H,1-3,10-11,13H2,(H,23,29)(H,24,27)
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Emory University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant myeloperoxidase by amplex red assay


ACS Med Chem Lett 6: 1047-52 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00287
BindingDB Entry DOI: 10.7270/Q26W9F24
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM50499559
PNG
(CHEMBL3740924)
Show SMILES COc1cc2[nH]c(=S)n(NC(=O)c3ccc(cc3)C(F)(F)F)c(=O)c2cc1OC
Show InChI InChI=1S/C18H14F3N3O4S/c1-27-13-7-11-12(8-14(13)28-2)22-17(29)24(16(11)26)23-15(25)9-3-5-10(6-4-9)18(19,20)21/h3-8H,1-2H3,(H,22,29)(H,23,25)
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n/an/a 400n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant myeloperoxidase by amplex red assay


ACS Med Chem Lett 6: 1047-52 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00287
BindingDB Entry DOI: 10.7270/Q26W9F24
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM50499552
PNG
(CHEMBL1409565)
Show SMILES O=c1n(CCN2CCCCC2)c(=S)[nH]c2ccccc12
Show InChI InChI=1S/C15H19N3OS/c19-14-12-6-2-3-7-13(12)16-15(20)18(14)11-10-17-8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-11H2,(H,16,20)
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Emory University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant myeloperoxidase by amplex red assay


ACS Med Chem Lett 6: 1047-52 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00287
BindingDB Entry DOI: 10.7270/Q26W9F24
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM50499555
PNG
(CHEMBL3740416)
Show SMILES Fc1cccc(NC(=S)Nn2c(=S)[nH]c3ccc(F)cc3c2=O)c1
Show InChI InChI=1S/C15H10F2N4OS2/c16-8-2-1-3-10(6-8)18-14(23)20-21-13(22)11-7-9(17)4-5-12(11)19-15(21)24/h1-7H,(H,19,24)(H2,18,20,23)
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Emory University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant myeloperoxidase by amplex red assay


ACS Med Chem Lett 6: 1047-52 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00287
BindingDB Entry DOI: 10.7270/Q26W9F24
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM50499561
PNG
(CHEMBL3740429)
Show SMILES Cl.CN(C)CCCn1c(=S)[nH]c2ccc(F)cc2c1=O
Show InChI InChI=1S/C13H16FN3OS/c1-16(2)6-3-7-17-12(18)10-8-9(14)4-5-11(10)15-13(17)19/h4-5,8H,3,6-7H2,1-2H3,(H,15,19)
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Emory University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant myeloperoxidase by amplex red assay


ACS Med Chem Lett 6: 1047-52 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00287
BindingDB Entry DOI: 10.7270/Q26W9F24
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM50499548
PNG
(CHEMBL3740128)
Show SMILES COc1cc2[nH]c(=S)n(N)c(=O)c2cc1OC
Show InChI InChI=1S/C10H11N3O3S/c1-15-7-3-5-6(4-8(7)16-2)12-10(17)13(11)9(5)14/h3-4H,11H2,1-2H3,(H,12,17)
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Emory University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant myeloperoxidase by amplex red assay


ACS Med Chem Lett 6: 1047-52 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00287
BindingDB Entry DOI: 10.7270/Q26W9F24
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM50499558
PNG
(CHEMBL3740321)
Show SMILES Cl.CN(C)CCCn1c(=S)[nH]c2ccc(Cl)cc2c1=O
Show InChI InChI=1S/C13H16ClN3OS/c1-16(2)6-3-7-17-12(18)10-8-9(14)4-5-11(10)15-13(17)19/h4-5,8H,3,6-7H2,1-2H3,(H,15,19)
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Emory University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant myeloperoxidase by amplex red assay


ACS Med Chem Lett 6: 1047-52 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00287
BindingDB Entry DOI: 10.7270/Q26W9F24
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM50499542
PNG
(CHEMBL3739930)
Show SMILES COc1cc2[nH]c(=S)n(NC(=O)c3cccc(F)c3)c(=O)c2cc1OC
Show InChI InChI=1S/C17H14FN3O4S/c1-24-13-7-11-12(8-14(13)25-2)19-17(26)21(16(11)23)20-15(22)9-4-3-5-10(18)6-9/h3-8H,1-2H3,(H,19,26)(H,20,22)
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Emory University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant myeloperoxidase by amplex red assay


ACS Med Chem Lett 6: 1047-52 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00287
BindingDB Entry DOI: 10.7270/Q26W9F24
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM50499562
PNG
(CHEMBL3742363)
Show SMILES CCC(=O)Nn1c(=S)[nH]c2ccc(F)cc2c1=O
Show InChI InChI=1S/C11H10FN3O2S/c1-2-9(16)14-15-10(17)7-5-6(12)3-4-8(7)13-11(15)18/h3-5H,2H2,1H3,(H,13,18)(H,14,16)
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Emory University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant myeloperoxidase by amplex red assay


ACS Med Chem Lett 6: 1047-52 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00287
BindingDB Entry DOI: 10.7270/Q26W9F24
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM50499540
PNG
(CHEMBL3740124)
Show SMILES CC(C)(C)C(=O)Nn1c(=S)[nH]c2ccc(F)cc2c1=O
Show InChI InChI=1S/C13H14FN3O2S/c1-13(2,3)11(19)16-17-10(18)8-6-7(14)4-5-9(8)15-12(17)20/h4-6H,1-3H3,(H,15,20)(H,16,19)
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Emory University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant myeloperoxidase by amplex red assay


ACS Med Chem Lett 6: 1047-52 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00287
BindingDB Entry DOI: 10.7270/Q26W9F24
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM50499530
PNG
(CHEMBL3740503)
Show SMILES Cl.CN(C)CCCn1c(=S)[nH]c2cc(F)c(F)cc2c1=O
Show InChI InChI=1S/C13H15F2N3OS/c1-17(2)4-3-5-18-12(19)8-6-9(14)10(15)7-11(8)16-13(18)20/h6-7H,3-5H2,1-2H3,(H,16,20)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant myeloperoxidase by amplex red assay


ACS Med Chem Lett 6: 1047-52 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00287
BindingDB Entry DOI: 10.7270/Q26W9F24
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM50499551
PNG
(CHEMBL3740138)
Show SMILES Cl.CN(C)CCCn1c(=S)[nH]c2ccccc2c1=O
Show InChI InChI=1S/C13H17N3OS/c1-15(2)8-5-9-16-12(17)10-6-3-4-7-11(10)14-13(16)18/h3-4,6-7H,5,8-9H2,1-2H3,(H,14,18)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant myeloperoxidase by amplex red assay


ACS Med Chem Lett 6: 1047-52 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00287
BindingDB Entry DOI: 10.7270/Q26W9F24
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM50499564
PNG
(CHEMBL3741021)
Show SMILES CN1CCN(CCCn2c(=S)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C16H22N4OS/c1-18-9-11-19(12-10-18)7-4-8-20-15(21)13-5-2-3-6-14(13)17-16(20)22/h2-3,5-6H,4,7-12H2,1H3,(H,17,22)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant myeloperoxidase by amplex red assay


ACS Med Chem Lett 6: 1047-52 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00287
BindingDB Entry DOI: 10.7270/Q26W9F24
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM50499539
PNG
(CHEMBL1585880)
Show SMILES CCN(CC)CCn1c(=S)[nH]c2ccccc2c1=O
Show InChI InChI=1S/C14H19N3OS/c1-3-16(4-2)9-10-17-13(18)11-7-5-6-8-12(11)15-14(17)19/h5-8H,3-4,9-10H2,1-2H3,(H,15,19)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant myeloperoxidase by amplex red assay


ACS Med Chem Lett 6: 1047-52 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00287
BindingDB Entry DOI: 10.7270/Q26W9F24
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM50499531
PNG
(CHEMBL1462057)
Show SMILES CN(C)CCn1c(=S)[nH]c2ccccc2c1=O
Show InChI InChI=1S/C12H15N3OS/c1-14(2)7-8-15-11(16)9-5-3-4-6-10(9)13-12(15)17/h3-6H,7-8H2,1-2H3,(H,13,17)
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Emory University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant myeloperoxidase by amplex red assay


ACS Med Chem Lett 6: 1047-52 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00287
BindingDB Entry DOI: 10.7270/Q26W9F24
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50499537
PNG
(CHEMBL3739657)
Show SMILES CN(C)CCCn1c(=S)[nH]c2cc(Cl)ccc2c1=O
Show InChI InChI=1S/C13H16ClN3OS/c1-16(2)6-3-7-17-12(18)10-5-4-9(14)8-11(10)15-13(17)19/h4-5,8H,3,6-7H2,1-2H3,(H,15,19)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) assessed as superoxide generation measured for 20 mins by luminescence analysis using 50 uM xanthine ...


ACS Med Chem Lett 6: 1047-52 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00287
BindingDB Entry DOI: 10.7270/Q26W9F24
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50499547
PNG
(CHEMBL3741999)
Show SMILES CC(C)n1c(=S)[nH]c2cc3OCCOc3cc2c1=O
Show InChI InChI=1S/C13H14N2O3S/c1-7(2)15-12(16)8-5-10-11(18-4-3-17-10)6-9(8)14-13(15)19/h5-7H,3-4H2,1-2H3,(H,14,19)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) assessed as superoxide generation measured for 20 mins by luminescence analysis using 50 uM xanthine ...


ACS Med Chem Lett 6: 1047-52 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00287
BindingDB Entry DOI: 10.7270/Q26W9F24
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50499532
PNG
(CHEMBL3740246)
Show SMILES COc1cc2[nH]c(=S)n(N(C)C)c(=O)c2cc1OC
Show InChI InChI=1S/C12H15N3O3S/c1-14(2)15-11(16)7-5-9(17-3)10(18-4)6-8(7)13-12(15)19/h5-6H,1-4H3,(H,13,19)
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Emory University

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) assessed as superoxide generation measured for 20 mins by luminescence analysis using 50 uM xanthine ...


ACS Med Chem Lett 6: 1047-52 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00287
BindingDB Entry DOI: 10.7270/Q26W9F24
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM50499549
PNG
(CHEMBL3740328)
Show SMILES Nn1c(=S)[nH]c2cc(F)c(F)cc2c1=O
Show InChI InChI=1S/C8H5F2N3OS/c9-4-1-3-6(2-5(4)10)12-8(15)13(11)7(3)14/h1-2H,11H2,(H,12,15)
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Emory University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant myeloperoxidase by amplex red assay


ACS Med Chem Lett 6: 1047-52 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00287
BindingDB Entry DOI: 10.7270/Q26W9F24
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM50499537
PNG
(CHEMBL3739657)
Show SMILES CN(C)CCCn1c(=S)[nH]c2cc(Cl)ccc2c1=O
Show InChI InChI=1S/C13H16ClN3OS/c1-16(2)6-3-7-17-12(18)10-5-4-9(14)8-11(10)15-13(17)19/h4-5,8H,3,6-7H2,1-2H3,(H,15,19)
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n/an/a 8.00E+3n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant myeloperoxidase by amplex red assay


ACS Med Chem Lett 6: 1047-52 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00287
BindingDB Entry DOI: 10.7270/Q26W9F24
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM50499532
PNG
(CHEMBL3740246)
Show SMILES COc1cc2[nH]c(=S)n(N(C)C)c(=O)c2cc1OC
Show InChI InChI=1S/C12H15N3O3S/c1-14(2)15-11(16)7-5-9(17-3)10(18-4)6-8(7)13-12(15)19/h5-6H,1-4H3,(H,13,19)
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Emory University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant myeloperoxidase by amplex red assay


ACS Med Chem Lett 6: 1047-52 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00287
BindingDB Entry DOI: 10.7270/Q26W9F24
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50499545
PNG
(CHEMBL3741073)
Show SMILES Fc1ccc(Nn2c(=S)[nH]c3ccc(F)cc3c2=O)cc1
Show InChI InChI=1S/C14H9F2N3OS/c15-8-1-4-10(5-2-8)18-19-13(20)11-7-9(16)3-6-12(11)17-14(19)21/h1-7,18H,(H,17,21)
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Emory University

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) assessed as superoxide generation measured for 20 mins by luminescence analysis using 50 uM xanthine ...


ACS Med Chem Lett 6: 1047-52 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00287
BindingDB Entry DOI: 10.7270/Q26W9F24
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM50499538
PNG
(CHEMBL3742361)
Show SMILES CN(C)CCCCCn1c(=O)[nH]c2ccccc2c1=O
Show InChI InChI=1S/C15H21N3O2/c1-17(2)10-6-3-7-11-18-14(19)12-8-4-5-9-13(12)16-15(18)20/h4-5,8-9H,3,6-7,10-11H2,1-2H3,(H,16,20)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant myeloperoxidase by amplex red assay


ACS Med Chem Lett 6: 1047-52 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00287
BindingDB Entry DOI: 10.7270/Q26W9F24
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM50499563
PNG
(CHEMBL3742088)
Show SMILES CN(C)CCCCn1c(=O)[nH]c2ccccc2c1=O
Show InChI InChI=1S/C14H19N3O2/c1-16(2)9-5-6-10-17-13(18)11-7-3-4-8-12(11)15-14(17)19/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,15,19)
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Emory University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant myeloperoxidase by amplex red assay


ACS Med Chem Lett 6: 1047-52 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00287
BindingDB Entry DOI: 10.7270/Q26W9F24
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50499548
PNG
(CHEMBL3740128)
Show SMILES COc1cc2[nH]c(=S)n(N)c(=O)c2cc1OC
Show InChI InChI=1S/C10H11N3O3S/c1-15-7-3-5-6(4-8(7)16-2)12-10(17)13(11)9(5)14/h3-4H,11H2,1-2H3,(H,12,17)
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Emory University

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) assessed as superoxide generation measured for 20 mins by luminescence analysis using 50 uM xanthine ...


ACS Med Chem Lett 6: 1047-52 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00287
BindingDB Entry DOI: 10.7270/Q26W9F24
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50499555
PNG
(CHEMBL3740416)
Show SMILES Fc1cccc(NC(=S)Nn2c(=S)[nH]c3ccc(F)cc3c2=O)c1
Show InChI InChI=1S/C15H10F2N4OS2/c16-8-2-1-3-10(6-8)18-14(23)20-21-13(22)11-7-9(17)4-5-12(11)19-15(21)24/h1-7H,(H,19,24)(H2,18,20,23)
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Emory University

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) assessed as superoxide generation measured for 20 mins by luminescence analysis using 50 uM xanthine ...


ACS Med Chem Lett 6: 1047-52 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00287
BindingDB Entry DOI: 10.7270/Q26W9F24
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM50499546
PNG
(CHEMBL3742412)
Show SMILES CCn1c(=S)[nH]c2ccc(F)cc2c1=O
Show InChI InChI=1S/C10H9FN2OS/c1-2-13-9(14)7-5-6(11)3-4-8(7)12-10(13)15/h3-5H,2H2,1H3,(H,12,15)
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Emory University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant myeloperoxidase by amplex red assay


ACS Med Chem Lett 6: 1047-52 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00287
BindingDB Entry DOI: 10.7270/Q26W9F24
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50499558
PNG
(CHEMBL3740321)
Show SMILES Cl.CN(C)CCCn1c(=S)[nH]c2ccc(Cl)cc2c1=O
Show InChI InChI=1S/C13H16ClN3OS/c1-16(2)6-3-7-17-12(18)10-8-9(14)4-5-11(10)15-13(17)19/h4-5,8H,3,6-7H2,1-2H3,(H,15,19)
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Emory University

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) assessed as superoxide generation measured for 20 mins by luminescence analysis using 50 uM xanthine ...


ACS Med Chem Lett 6: 1047-52 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00287
BindingDB Entry DOI: 10.7270/Q26W9F24
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50499536
PNG
(CHEMBL3740396)
Show SMILES Cl.CN(C)CCCCCCn1c(=S)[nH]c2ccc(F)cc2c1=O
Show InChI InChI=1S/C16H22FN3OS/c1-19(2)9-5-3-4-6-10-20-15(21)13-11-12(17)7-8-14(13)18-16(20)22/h7-8,11H,3-6,9-10H2,1-2H3,(H,18,22)
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n/an/a 1.80E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) assessed as superoxide generation measured for 20 mins by luminescence analysis using 50 uM xanthine ...


ACS Med Chem Lett 6: 1047-52 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00287
BindingDB Entry DOI: 10.7270/Q26W9F24
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM50499536
PNG
(CHEMBL3740396)
Show SMILES Cl.CN(C)CCCCCCn1c(=S)[nH]c2ccc(F)cc2c1=O
Show InChI InChI=1S/C16H22FN3OS/c1-19(2)9-5-3-4-6-10-20-15(21)13-11-12(17)7-8-14(13)18-16(20)22/h7-8,11H,3-6,9-10H2,1-2H3,(H,18,22)
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Emory University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant myeloperoxidase by amplex red assay


ACS Med Chem Lett 6: 1047-52 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00287
BindingDB Entry DOI: 10.7270/Q26W9F24
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM50499550
PNG
(CHEMBL3741638)
Show SMILES COc1cc2[nH]c(=S)n(O)c(=O)c2cc1OC
Show InChI InChI=1S/C10H10N2O4S/c1-15-7-3-5-6(4-8(7)16-2)11-10(17)12(14)9(5)13/h3-4,14H,1-2H3,(H,11,17)
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Emory University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant myeloperoxidase by amplex red assay


ACS Med Chem Lett 6: 1047-52 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00287
BindingDB Entry DOI: 10.7270/Q26W9F24
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM50499547
PNG
(CHEMBL3741999)
Show SMILES CC(C)n1c(=S)[nH]c2cc3OCCOc3cc2c1=O
Show InChI InChI=1S/C13H14N2O3S/c1-7(2)15-12(16)8-5-10-11(18-4-3-17-10)6-9(8)14-13(15)19/h5-7H,3-4H2,1-2H3,(H,14,19)
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Emory University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant myeloperoxidase by amplex red assay


ACS Med Chem Lett 6: 1047-52 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00287
BindingDB Entry DOI: 10.7270/Q26W9F24
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50499544
PNG
(CHEMBL3740127)
Show SMILES Fc1ccc2[nH]c(=S)n(Nc3ncc(cc3Cl)C(F)(F)F)c(=O)c2c1
Show InChI InChI=1S/C14H7ClF4N4OS/c15-9-3-6(14(17,18)19)5-20-11(9)22-23-12(24)8-4-7(16)1-2-10(8)21-13(23)25/h1-5H,(H,20,22)(H,21,25)
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Emory University

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) assessed as superoxide generation measured for 20 mins by luminescence analysis using 50 uM xanthine ...


ACS Med Chem Lett 6: 1047-52 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00287
BindingDB Entry DOI: 10.7270/Q26W9F24
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50499540
PNG
(CHEMBL3740124)
Show SMILES CC(C)(C)C(=O)Nn1c(=S)[nH]c2ccc(F)cc2c1=O
Show InChI InChI=1S/C13H14FN3O2S/c1-13(2,3)11(19)16-17-10(18)8-6-7(14)4-5-9(8)15-12(17)20/h4-6H,1-3H3,(H,15,20)(H,16,19)
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Emory University

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) assessed as superoxide generation measured for 20 mins by luminescence analysis using 50 uM xanthine ...


ACS Med Chem Lett 6: 1047-52 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00287
BindingDB Entry DOI: 10.7270/Q26W9F24
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50499541
PNG
(CHEMBL3740039)
Show SMILES Fc1ccc2[nH]c(=S)n(NC(=O)c3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C15H10FN3O2S/c16-10-6-7-12-11(8-10)14(21)19(15(22)17-12)18-13(20)9-4-2-1-3-5-9/h1-8H,(H,17,22)(H,18,20)
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Emory University

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) assessed as superoxide generation measured for 20 mins by luminescence analysis using 50 uM xanthine ...


ACS Med Chem Lett 6: 1047-52 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00287
BindingDB Entry DOI: 10.7270/Q26W9F24
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50499559
PNG
(CHEMBL3740924)
Show SMILES COc1cc2[nH]c(=S)n(NC(=O)c3ccc(cc3)C(F)(F)F)c(=O)c2cc1OC
Show InChI InChI=1S/C18H14F3N3O4S/c1-27-13-7-11-12(8-14(13)28-2)22-17(29)24(16(11)26)23-15(25)9-3-5-10(6-4-9)18(19,20)21/h3-8H,1-2H3,(H,22,29)(H,23,25)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) assessed as superoxide generation measured for 20 mins by luminescence analysis using 50 uM xanthine ...


ACS Med Chem Lett 6: 1047-52 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00287
BindingDB Entry DOI: 10.7270/Q26W9F24
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50499533
PNG
(CHEMBL3740322)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Nn1c(=S)[nH]c2ccc(F)cc2c1=O
Show InChI InChI=1S/C15H9FN4O4S/c16-9-3-6-12-11(7-9)14(22)19(15(25)17-12)18-13(21)8-1-4-10(5-2-8)20(23)24/h1-7H,(H,17,25)(H,18,21)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) assessed as superoxide generation measured for 20 mins by luminescence analysis using 50 uM xanthine ...


ACS Med Chem Lett 6: 1047-52 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00287
BindingDB Entry DOI: 10.7270/Q26W9F24
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50499549
PNG
(CHEMBL3740328)
Show SMILES Nn1c(=S)[nH]c2cc(F)c(F)cc2c1=O
Show InChI InChI=1S/C8H5F2N3OS/c9-4-1-3-6(2-5(4)10)12-8(15)13(11)7(3)14/h1-2H,11H2,(H,12,15)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) assessed as superoxide generation measured for 20 mins by luminescence analysis using 50 uM xanthine ...


ACS Med Chem Lett 6: 1047-52 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00287
BindingDB Entry DOI: 10.7270/Q26W9F24
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50499551
PNG
(CHEMBL3740138)
Show SMILES Cl.CN(C)CCCn1c(=S)[nH]c2ccccc2c1=O
Show InChI InChI=1S/C13H17N3OS/c1-15(2)8-5-9-16-12(17)10-6-3-4-7-11(10)14-13(16)18/h3-4,6-7H,5,8-9H2,1-2H3,(H,14,18)
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MMDB

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n/an/a 2.00E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) assessed as superoxide generation measured for 20 mins by luminescence analysis using 50 uM xanthine ...


ACS Med Chem Lett 6: 1047-52 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00287
BindingDB Entry DOI: 10.7270/Q26W9F24
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM50499556
PNG
(CHEMBL3740712)
Show SMILES CN(C)CCCn1c(=S)[nH]c2c(Cl)cc(Cl)cc2c1=O
Show InChI InChI=1S/C13H15Cl2N3OS/c1-17(2)4-3-5-18-12(19)9-6-8(14)7-10(15)11(9)16-13(18)20/h6-7H,3-5H2,1-2H3,(H,16,20)
PDB
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KEGG

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n/an/a>2.00E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant myeloperoxidase by amplex red assay


ACS Med Chem Lett 6: 1047-52 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00287
BindingDB Entry DOI: 10.7270/Q26W9F24
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM50499535
PNG
(CHEMBL3742254)
Show SMILES OCCCCCn1c(=S)[nH]c2ccccc2c1=O
Show InChI InChI=1S/C13H16N2O2S/c16-9-5-1-4-8-15-12(17)10-6-2-3-7-11(10)14-13(15)18/h2-3,6-7,16H,1,4-5,8-9H2,(H,14,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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PC cid
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n/an/a>4.00E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant myeloperoxidase by amplex red assay


ACS Med Chem Lett 6: 1047-52 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00287
BindingDB Entry DOI: 10.7270/Q26W9F24
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%