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Compile Data Set for Download or QSAR

Found 255 hits Enz. Inhib. hit(s) with Target = 'Myeloperoxidase (MPO)'   
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 (MPO)


(Homo sapiens (Human))
BDBM50008382
PNG
(Ac-Phe-Lys-AspMet-GIn-Leu-Gly-Arg-OH | CHEMBL23706...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1ccccc1)C(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C45H72N12O13S/c1-25(2)21-33(39(64)51-24-36(60)52-32(44(69)70)14-10-19-50-45(48)49)56-41(66)30(15-16-35(47)59)54-42(67)31(17-20-71-4)55-43(68)34(23-37(61)62)57-40(65)29(13-8-9-18-46)53-38(63)28(26(3)58)22-27-11-6-5-7-12-27/h5-7,11-12,25,28-34H,8-10,13-24,46H2,1-4H3,(H2,47,59)(H,51,64)(H,52,60)(H,53,63)(H,54,67)(H,55,68)(H,56,66)(H,57,65)(H,61,62)(H,69,70)(H4,48,49,50)/t28-,29-,30-,31-,32-,33-,34-/m0/s1
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n/an/an/an/a 3.50E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vivo potency of the compound was determined as the maximal lysosomal myeloperoxidase (MPO) release in PMNL assay


J Med Chem 35: 402-6 (1992)


Article DOI: 10.1021/jm00080a030
BindingDB Entry DOI: 10.7270/Q2HH6J1S
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50008381
PNG
(CHEMBL441393 | H-Ile-Ser-Phe-Lys-AspMet-GIn-Leu-Gl...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C52H87N15O15S/c1-6-29(4)42(55)50(80)67-38(27-68)49(79)65-36(24-30-13-8-7-9-14-30)47(77)61-31(15-10-11-20-53)44(74)66-37(25-41(71)72)48(78)63-33(19-22-83-5)46(76)62-32(17-18-39(54)69)45(75)64-35(23-28(2)3)43(73)59-26-40(70)60-34(51(81)82)16-12-21-58-52(56)57/h7-9,13-14,28-29,31-38,42,68H,6,10-12,15-27,53,55H2,1-5H3,(H2,54,69)(H,59,73)(H,60,70)(H,61,77)(H,62,76)(H,63,78)(H,64,75)(H,65,79)(H,66,74)(H,67,80)(H,71,72)(H,81,82)(H4,56,57,58)/t29-,31-,32-,33-,34-,35-,36-,37-,38-,42-/m0/s1
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n/an/an/an/a 6.00E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vivo potency of the compound was determined as the maximal lysosomal myeloperoxidase (MPO) release in PMNL assay


J Med Chem 35: 402-6 (1992)


Article DOI: 10.1021/jm00080a030
BindingDB Entry DOI: 10.7270/Q2HH6J1S
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50008373
PNG
(CHEMBL439468 | H-Leu-Arg-Ala-Asn-Ile-Ser-Phe-Lys-A...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C71H121N23O20S/c1-9-38(6)56(94-66(110)49(32-53(75)97)89-57(101)39(7)83-60(104)43(20-15-26-80-70(76)77)85-58(102)41(73)29-36(2)3)68(112)93-51(35-95)67(111)91-48(31-40-17-11-10-12-18-40)64(108)86-42(19-13-14-25-72)61(105)92-50(33-55(99)100)65(109)88-45(24-28-115-8)63(107)87-44(22-23-52(74)96)62(106)90-47(30-37(4)5)59(103)82-34-54(98)84-46(69(113)114)21-16-27-81-71(78)79/h10-12,17-18,36-39,41-51,56,95H,9,13-16,19-35,72-73H2,1-8H3,(H2,74,96)(H2,75,97)(H,82,103)(H,83,104)(H,84,98)(H,85,102)(H,86,108)(H,87,107)(H,88,109)(H,89,101)(H,90,106)(H,91,111)(H,92,105)(H,93,112)(H,94,110)(H,99,100)(H,113,114)(H4,76,77,80)(H4,78,79,81)/t38-,39-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,56-/m0/s1
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n/an/an/an/a 6.00E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vivo potency of the compound was determined as the maximal lysosomal myeloperoxidase (MPO) release in PMNL assay


J Med Chem 35: 402-6 (1992)


Article DOI: 10.1021/jm00080a030
BindingDB Entry DOI: 10.7270/Q2HH6J1S
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50008371
PNG
(CHEMBL127385 | H-Thi-Lys-AspMet-GIn-Leu-Gly-Arg-OH)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](N)Cc1cccs1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C41H69N13O12S2/c1-22(2)18-29(35(60)48-21-32(56)49-28(40(65)66)10-6-15-47-41(45)46)53-37(62)26(11-12-31(44)55)51-38(63)27(13-17-67-3)52-39(64)30(20-33(57)58)54-36(61)25(9-4-5-14-42)50-34(59)24(43)19-23-8-7-16-68-23/h7-8,16,22,24-30H,4-6,9-15,17-21,42-43H2,1-3H3,(H2,44,55)(H,48,60)(H,49,56)(H,50,59)(H,51,63)(H,52,64)(H,53,62)(H,54,61)(H,57,58)(H,65,66)(H4,45,46,47)/t24-,25+,26+,27+,28+,29+,30+/m1/s1
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n/an/an/an/a 2.00E+5n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vivo potency of the compound was determined as the maximal lysosomal myeloperoxidase (MPO) release in PMNL assay


J Med Chem 35: 402-6 (1992)


Article DOI: 10.1021/jm00080a030
BindingDB Entry DOI: 10.7270/Q2HH6J1S
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50008383
PNG
(CHEMBL408929 | H-Ala-Asn-Ile-Ser-Phe-Lys-AspMet-GI...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C59H98N18O18S/c1-7-31(4)47(77-55(91)40(26-44(63)80)72-48(84)32(5)61)57(93)76-42(29-78)56(92)74-39(25-33-14-9-8-10-15-33)53(89)69-34(16-11-12-21-60)50(86)75-41(27-46(82)83)54(90)71-36(20-23-96-6)52(88)70-35(18-19-43(62)79)51(87)73-38(24-30(2)3)49(85)67-28-45(81)68-37(58(94)95)17-13-22-66-59(64)65/h8-10,14-15,30-32,34-42,47,78H,7,11-13,16-29,60-61H2,1-6H3,(H2,62,79)(H2,63,80)(H,67,85)(H,68,81)(H,69,89)(H,70,88)(H,71,90)(H,72,84)(H,73,87)(H,74,92)(H,75,86)(H,76,93)(H,77,91)(H,82,83)(H,94,95)(H4,64,65,66)/t31-,32-,34-,35-,36-,37-,38-,39-,40-,41-,42-,47-/m0/s1
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n/an/an/an/a 3.30E+5n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vivo potency of the compound was determined as the maximal lysosomal myeloperoxidase (MPO) release in PMNL assay


J Med Chem 35: 402-6 (1992)


Article DOI: 10.1021/jm00080a030
BindingDB Entry DOI: 10.7270/Q2HH6J1S
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50133601
PNG
(CHEMBL3633251)
Show SMILES COc1ccc(c(OC)c1)-c1cc(=O)[nH]c(=S)n1CCO
Show InChI InChI=1S/C14H16N2O4S/c1-19-9-3-4-10(12(7-9)20-2)11-8-13(18)15-14(21)16(11)5-6-17/h3-4,7-8,17H,5-6H2,1-2H3,(H,15,18,21)
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151n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of peroxidase activity of MPO isolated from human polynuclear leukocytes using Amplex Red as substrate assessed as formation of resorufin ...


J Med Chem 58: 8513-28 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00963
BindingDB Entry DOI: 10.7270/Q2SQ926X
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50133602
PNG
(CHEMBL3633250)
Show SMILES COc1ccc(c(OC)c1)-c1cc(=O)[nH]c(=S)n1CCN
Show InChI InChI=1S/C14H17N3O3S/c1-19-9-3-4-10(12(7-9)20-2)11-8-13(18)16-14(21)17(11)6-5-15/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,18,21)
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174n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of peroxidase activity of MPO isolated from human polynuclear leukocytes using Amplex Red as substrate assessed as formation of resorufin ...


J Med Chem 58: 8513-28 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00963
BindingDB Entry DOI: 10.7270/Q2SQ926X
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50133595
PNG
(CHEMBL3633460)
Show SMILES COc1ccc(Cl)cc1-c1cc(=O)[nH]c(=S)n1CC(N)=O
Show InChI InChI=1S/C13H12ClN3O3S/c1-20-10-3-2-7(14)4-8(10)9-5-12(19)16-13(21)17(9)6-11(15)18/h2-5H,6H2,1H3,(H2,15,18)(H,16,19,21)
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316n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of peroxidase activity of MPO isolated from human polynuclear leukocytes using Amplex Red as substrate assessed as formation of resorufin ...


J Med Chem 58: 8513-28 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00963
BindingDB Entry DOI: 10.7270/Q2SQ926X
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50133596
PNG
(CHEMBL3633459)
Show SMILES COc1ccc(OC)c(c1)-c1cc(=O)[nH]c(=S)n1CC(N)=O
Show InChI InChI=1S/C14H15N3O4S/c1-20-8-3-4-11(21-2)9(5-8)10-6-13(19)16-14(22)17(10)7-12(15)18/h3-6H,7H2,1-2H3,(H2,15,18)(H,16,19,22)
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347n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of peroxidase activity of MPO isolated from human polynuclear leukocytes using Amplex Red as substrate assessed as formation of resorufin ...


J Med Chem 58: 8513-28 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00963
BindingDB Entry DOI: 10.7270/Q2SQ926X
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50133603
PNG
(CHEMBL3633248)
Show SMILES COc1ccc(c(OC)c1)-c1cc(=O)[nH]c(=S)n1CC(N)=O
Show InChI InChI=1S/C14H15N3O4S/c1-20-8-3-4-9(11(5-8)21-2)10-6-13(19)16-14(22)17(10)7-12(15)18/h3-6H,7H2,1-2H3,(H2,15,18)(H,16,19,22)
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372n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of peroxidase activity of MPO isolated from human polynuclear leukocytes using Amplex Red as substrate assessed as formation of resorufin ...


J Med Chem 58: 8513-28 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00963
BindingDB Entry DOI: 10.7270/Q2SQ926X
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM119872
PNG
(3‐(2‐ethoxypropyl)‐2‐sulfa...)
Show SMILES CCOC(C)Cn1c2nc[nH]c2c(=O)[nH]c1=S
Show InChI InChI=1S/C10H14N4O2S/c1-3-16-6(2)4-14-8-7(11-5-12-8)9(15)13-10(14)17/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,15,17)
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413n/an/an/an/an/an/an/an/a



Pfizer Worldwide Research and Development



Assay Description
Assay mixtures (100 µL) contained 50 mM NaPi (pH 7.4), 150 mM NaCl, 1 mM DTPA, 2% DMSO, the indicated concentrations of H2O2, and Amplex Red. Th...


Biochemistry 52: 9187-201 (2013)


Article DOI: 10.1021/bi401354d
BindingDB Entry DOI: 10.7270/Q2K35SBT
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM119874
PNG
(3‐[(2S)‐2‐ethoxypropyl]‐2&...)
Show SMILES CCO[C@@H](C)Cn1c2nc[nH]c2c(=O)[nH]c1=S
Show InChI InChI=1S/C10H14N4O2S/c1-3-16-6(2)4-14-8-7(11-5-12-8)9(15)13-10(14)17/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,15,17)/t6-/m0/s1
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429n/an/an/an/an/an/an/an/a



Pfizer Worldwide Research and Development



Assay Description
Assay mixtures (100 µL) contained 50 mM NaPi (pH 7.4), 150 mM NaCl, 1 mM DTPA, 2% DMSO, the indicated concentrations of H2O2, and Amplex Red. Th...


Biochemistry 52: 9187-201 (2013)


Article DOI: 10.1021/bi401354d
BindingDB Entry DOI: 10.7270/Q2K35SBT
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50133600
PNG
(CHEMBL3633457)
Show SMILES COc1ccc(c(OC)c1)-c1cc(=O)[nH]c(=S)n1CCOC(C)C
Show InChI InChI=1S/C17H22N2O4S/c1-11(2)23-8-7-19-14(10-16(20)18-17(19)24)13-6-5-12(21-3)9-15(13)22-4/h5-6,9-11H,7-8H2,1-4H3,(H,18,20,24)
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501n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of peroxidase activity of MPO isolated from human polynuclear leukocytes using Amplex Red as substrate assessed as formation of resorufin ...


J Med Chem 58: 8513-28 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00963
BindingDB Entry DOI: 10.7270/Q2SQ926X
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM119873
PNG
(3‐[(2R)‐2‐ethoxypropyl]‐2&...)
Show SMILES CCO[C@H](C)Cn1c2nc[nH]c2c(=O)[nH]c1=S
Show InChI InChI=1S/C10H14N4O2S/c1-3-16-6(2)4-14-8-7(11-5-12-8)9(15)13-10(14)17/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,15,17)/t6-/m1/s1
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546n/an/an/an/an/an/an/an/a



Pfizer Worldwide Research and Development



Assay Description
Assay mixtures (100 µL) contained 50 mM NaPi (pH 7.4), 150 mM NaCl, 1 mM DTPA, 2% DMSO, the indicated concentrations of H2O2, and Amplex Red. Th...


Biochemistry 52: 9187-201 (2013)


Article DOI: 10.1021/bi401354d
BindingDB Entry DOI: 10.7270/Q2K35SBT
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM92466
PNG
(2-Thioxanthine, TX1)
Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)[nH]c1=S
Show InChI InChI=1S/C9H12N4OS/c1-5(2)3-13-7-6(10-4-11-7)8(14)12-9(13)15/h4-5H,3H2,1-2H3,(H,10,11)(H,12,14,15)
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n/an/a 1.00E+3n/an/an/an/a7.421



AstraZeneca R&D



Assay Description
The chlorination activity of MPO was determined by measuring the production of hypocholorous acid.


J Biol Chem 286: 37578-89 (2011)


Article DOI: 10.1074/jbc.M111.266981
BindingDB Entry DOI: 10.7270/Q2M32TCV
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM92467
PNG
(2-Thioxanthine, TX2)
Show SMILES Fc1ccc(Cn2c3nc[nH]c3c(=O)[nH]c2=S)cc1
Show InChI InChI=1S/C12H9FN4OS/c13-8-3-1-7(2-4-8)5-17-10-9(14-6-15-10)11(18)16-12(17)19/h1-4,6H,5H2,(H,14,15)(H,16,18,19)
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n/an/a 200n/an/an/an/a7.421



AstraZeneca R&D



Assay Description
The chlorination activity of MPO was determined by measuring the production of hypocholorous acid.


J Biol Chem 286: 37578-89 (2011)


Article DOI: 10.1074/jbc.M111.266981
BindingDB Entry DOI: 10.7270/Q2M32TCV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM92468
PNG
(2-Thioxanthine, TX3)
Show SMILES O=c1[nH]c(=S)n(CC2CCCO2)c2nc[nH]c12
Show InChI InChI=1S/C10H12N4O2S/c15-9-7-8(12-5-11-7)14(10(17)13-9)4-6-2-1-3-16-6/h5-6H,1-4H2,(H,11,12)(H,13,15,17)
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n/an/a 400n/an/an/an/a7.421



AstraZeneca R&D



Assay Description
The chlorination activity of MPO was determined by measuring the production of hypocholorous acid.


J Biol Chem 286: 37578-89 (2011)


Article DOI: 10.1074/jbc.M111.266981
BindingDB Entry DOI: 10.7270/Q2M32TCV
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM92469
PNG
(2-Thioxanthine, TX4)
Show SMILES O=c1[nH]c(=S)n(C[C@H]2CCCO2)c2nc[nH]c12
Show InChI InChI=1S/C10H12N4O2S/c15-9-7-8(12-5-11-7)14(10(17)13-9)4-6-2-1-3-16-6/h5-6H,1-4H2,(H,11,12)(H,13,15,17)/t6-/m1/s1
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n/an/a 200n/an/an/an/a7.421



AstraZeneca R&D



Assay Description
The chlorination activity of MPO was determined by measuring the production of hypocholorous acid.


J Biol Chem 286: 37578-89 (2011)


Article DOI: 10.1074/jbc.M111.266981
BindingDB Entry DOI: 10.7270/Q2M32TCV
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM92470
PNG
(2-Thioxanthine, TX5)
Show SMILES COCCn1c2nc[nH]c2c(=O)[nH]c1=S
Show InChI InChI=1S/C8H10N4O2S/c1-14-3-2-12-6-5(9-4-10-6)7(13)11-8(12)15/h4H,2-3H2,1H3,(H,9,10)(H,11,13,15)
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n/an/a 400n/an/an/an/a7.421



AstraZeneca R&D



Assay Description
The chlorination activity of MPO was determined by measuring the production of hypocholorous acid.


J Biol Chem 286: 37578-89 (2011)


Article DOI: 10.1074/jbc.M111.266981
BindingDB Entry DOI: 10.7270/Q2M32TCV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50015089
PNG
(2,N-Dihydroxy-benzamide | CHEMBL309339 | N,2-dihyd...)
Show SMILES ONC(=O)c1ccccc1O
Show InChI InChI=1S/C7H7NO3/c9-6-4-2-1-3-5(6)7(10)8-11/h1-4,9,11H,(H,8,10)
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n/an/a 2.50E+4n/an/an/an/an/an/a



University of Otago Christchurch



Assay Description
Assays were performed at 22 C with 2 nM MPO and 10 μM hydrogen peroxide (H2O2) in 20 mM NaH2PO4 buffer, pH 6.5 containing 140 mM NaCl, 10 mM ta...


J Biol Chem 288: 36636-47 (2013)


Article DOI: 10.1074/jbc.M113.507756
BindingDB Entry DOI: 10.7270/Q20K27DH
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM217354
PNG
(2-(3,5-bistrifluoromethylbenzylamino)-6-oxo-1H-pyr...)
Show SMILES ONC(=O)c1cnc(NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[nH]c1=O
Show InChI InChI=1S/C14H10F6N4O3/c15-13(16,17)7-1-6(2-8(3-7)14(18,19)20)4-21-12-22-5-9(10(25)23-12)11(26)24-27/h1-3,5,27H,4H2,(H,24,26)(H2,21,22,23,25)
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n/an/a 5.01n/an/an/an/an/an/a



University of Otago Christchurch



Assay Description
Assays were performed at 22 C with 2 nM MPO and 10 μM hydrogen peroxide (H2O2) in 20 mM NaH2PO4 buffer, pH 6.5 containing 140 mM NaCl, 10 mM ta...


J Biol Chem 288: 36636-47 (2013)


Article DOI: 10.1074/jbc.M113.507756
BindingDB Entry DOI: 10.7270/Q20K27DH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM217355
PNG
(4-benzyl-2-hydroxybenzenecarbohydroxamic acid (HX2...)
Show SMILES ONC(=O)c1ccc(Cc2ccccc2)cc1O
Show InChI InChI=1S/C14H13NO3/c16-13-9-11(6-7-12(13)14(17)15-18)8-10-4-2-1-3-5-10/h1-7,9,16,18H,8H2,(H,15,17)
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n/an/a 25.1n/an/an/an/an/an/a



University of Otago Christchurch



Assay Description
Assays were performed at 22 C with 2 nM MPO and 10 μM hydrogen peroxide (H2O2) in 20 mM NaH2PO4 buffer, pH 6.5 containing 140 mM NaCl, 10 mM ta...


J Biol Chem 288: 36636-47 (2013)


Article DOI: 10.1074/jbc.M113.507756
BindingDB Entry DOI: 10.7270/Q20K27DH
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM217356
PNG
(2-(benzylamino)-6-oxo-3H-pyrimidine-5-carbohydroxa...)
Show SMILES ONC(=O)c1c[nH]c(NCc2ccccc2)nc1=O
Show InChI InChI=1S/C12H12N4O3/c17-10-9(11(18)16-19)7-14-12(15-10)13-6-8-4-2-1-3-5-8/h1-5,7,19H,6H2,(H,16,18)(H2,13,14,15,17)
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n/an/a 790n/an/an/an/an/an/a



University of Otago Christchurch



Assay Description
Assays were performed at 22 C with 2 nM MPO and 10 μM hydrogen peroxide (H2O2) in 20 mM NaH2PO4 buffer, pH 6.5 containing 140 mM NaCl, 10 mM ta...


J Biol Chem 288: 36636-47 (2013)


Article DOI: 10.1074/jbc.M113.507756
BindingDB Entry DOI: 10.7270/Q20K27DH
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM217354
PNG
(2-(3,5-bistrifluoromethylbenzylamino)-6-oxo-1H-pyr...)
Show SMILES ONC(=O)c1cnc(NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[nH]c1=O
Show InChI InChI=1S/C14H10F6N4O3/c15-13(16,17)7-1-6(2-8(3-7)14(18,19)20)4-21-12-22-5-9(10(25)23-12)11(26)24-27/h1-3,5,27H,4H2,(H,24,26)(H2,21,22,23,25)
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n/an/an/a 15.8n/an/an/an/an/a



University of Otago Christchurch



Assay Description
Binding kinetics were determined by surface plasmon resonance (SPR) using a Biacore S51 (Biacore, Uppsala, Sweden). MPO (50 μg/ml dissolved in 1...


J Biol Chem 288: 36636-47 (2013)


Article DOI: 10.1074/jbc.M113.507756
BindingDB Entry DOI: 10.7270/Q20K27DH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM217355
PNG
(4-benzyl-2-hydroxybenzenecarbohydroxamic acid (HX2...)
Show SMILES ONC(=O)c1ccc(Cc2ccccc2)cc1O
Show InChI InChI=1S/C14H13NO3/c16-13-9-11(6-7-12(13)14(17)15-18)8-10-4-2-1-3-5-10/h1-7,9,16,18H,8H2,(H,15,17)
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n/an/an/a 63n/an/an/an/an/a



University of Otago Christchurch



Assay Description
Binding kinetics were determined by surface plasmon resonance (SPR) using a Biacore S51 (Biacore, Uppsala, Sweden). MPO (50 μg/ml dissolved in 1...


J Biol Chem 288: 36636-47 (2013)


Article DOI: 10.1074/jbc.M113.507756
BindingDB Entry DOI: 10.7270/Q20K27DH
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM217356
PNG
(2-(benzylamino)-6-oxo-3H-pyrimidine-5-carbohydroxa...)
Show SMILES ONC(=O)c1c[nH]c(NCc2ccccc2)nc1=O
Show InChI InChI=1S/C12H12N4O3/c17-10-9(11(18)16-19)7-14-12(15-10)13-6-8-4-2-1-3-5-8/h1-5,7,19H,6H2,(H,16,18)(H2,13,14,15,17)
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n/an/an/a 2.00E+3n/an/an/an/an/a



University of Otago Christchurch



Assay Description
Binding kinetics were determined by surface plasmon resonance (SPR) using a Biacore S51 (Biacore, Uppsala, Sweden). MPO (50 μg/ml dissolved in 1...


J Biol Chem 288: 36636-47 (2013)


Article DOI: 10.1074/jbc.M113.507756
BindingDB Entry DOI: 10.7270/Q20K27DH
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50002435
PNG
(3-Isopropoxy-5-methoxy-benzo[b]thiophene-2-carboxy...)
Show SMILES COc1ccc2sc(C(=O)Nc3nnn[nH]3)c(OC(C)C)c2c1
Show InChI InChI=1S/C14H15N5O3S/c1-7(2)22-11-9-6-8(21-3)4-5-10(9)23-12(11)13(20)15-14-16-18-19-17-14/h4-7H,1-3H3,(H2,15,16,17,18,19,20)
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n/an/a 7.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of serum-opsonized zymosan stimulated myeloperoxidase release from human neutrophil


J Med Chem 35: 958-65 (1992)


Article DOI: 10.1021/jm00083a023
BindingDB Entry DOI: 10.7270/Q25T3JF1
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50035200
PNG
(CHEMBL3343355)
Show SMILES C1Oc2cc3nn4CCCSc4c3cc2O1
Show InChI InChI=1S/C11H10N2O2S/c1-2-13-11(16-3-1)7-4-9-10(15-6-14-9)5-8(7)12-13/h4-5H,1-3,6H2
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n/an/a 140n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of myeloperoxidase (unknown origin) assessed as reduction in enzymatic hypochlorous acid production by spectrophotometry based taurine chl...


Bioorg Med Chem 22: 6422-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.044
BindingDB Entry DOI: 10.7270/Q2M0472H
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50035201
PNG
(CHEMBL3343354)
Show SMILES C1CSc2n(C1)nc1ccccc21
Show InChI InChI=1S/C10H10N2S/c1-2-5-9-8(4-1)10-12(11-9)6-3-7-13-10/h1-2,4-5H,3,6-7H2
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n/an/a 213n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of myeloperoxidase (unknown origin) assessed as reduction in enzymatic hypochlorous acid production by spectrophotometry based taurine chl...


Bioorg Med Chem 22: 6422-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.044
BindingDB Entry DOI: 10.7270/Q2M0472H
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50035203
PNG
(CHEMBL3343353)
Show SMILES C1Cn2nc3cc4OCOc4cc3c2S1
Show InChI InChI=1S/C10H8N2O2S/c1-2-15-10-6-3-8-9(14-5-13-8)4-7(6)11-12(1)10/h3-4H,1-2,5H2
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n/an/a 87n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of myeloperoxidase (unknown origin) assessed as reduction in enzymatic hypochlorous acid production by spectrophotometry based taurine chl...


Bioorg Med Chem 22: 6422-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.044
BindingDB Entry DOI: 10.7270/Q2M0472H
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50035214
PNG
(CHEMBL3343352)
Show SMILES C1Cn2nc3ccccc3c2S1
Show InChI InChI=1S/C9H8N2S/c1-2-4-8-7(3-1)9-11(10-8)5-6-12-9/h1-4H,5-6H2
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n/an/a 94n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of myeloperoxidase (unknown origin) assessed as reduction in enzymatic hypochlorous acid production by spectrophotometry based taurine chl...


Bioorg Med Chem 22: 6422-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.044
BindingDB Entry DOI: 10.7270/Q2M0472H
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50035215
PNG
(CHEMBL3343351)
Show SMILES C1Oc2cc3nn4CCCOc4c3cc2O1
Show InChI InChI=1S/C11H10N2O3/c1-2-13-11(14-3-1)7-4-9-10(16-6-15-9)5-8(7)12-13/h4-5H,1-3,6H2
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n/an/a 403n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of myeloperoxidase (unknown origin) assessed as reduction in enzymatic hypochlorous acid production by spectrophotometry based taurine chl...


Bioorg Med Chem 22: 6422-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.044
BindingDB Entry DOI: 10.7270/Q2M0472H
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50035216
PNG
(CHEMBL3343350)
Show SMILES C1Oc2n(nc3ccccc23)-c2ccccc12
Show InChI InChI=1S/C14H10N2O/c1-4-8-13-10(5-1)9-17-14-11-6-2-3-7-12(11)15-16(13)14/h1-8H,9H2
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n/an/a 4.15E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of myeloperoxidase (unknown origin) assessed as reduction in enzymatic hypochlorous acid production by spectrophotometry based taurine chl...


Bioorg Med Chem 22: 6422-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.044
BindingDB Entry DOI: 10.7270/Q2M0472H
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM94407
PNG
(3,4-dihydro-2H-[1,3]oxazin[3,2-b]indazole | 3,4-di...)
Show SMILES C1COc2n(C1)nc1ccccc21
Show InChI InChI=1S/C10H10N2O/c1-2-5-9-8(4-1)10-12(11-9)6-3-7-13-10/h1-2,4-5H,3,6-7H2
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n/an/a 359n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of myeloperoxidase (unknown origin) assessed as reduction in enzymatic hypochlorous acid production by spectrophotometry based taurine chl...


Bioorg Med Chem 22: 6422-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.044
BindingDB Entry DOI: 10.7270/Q2M0472H
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50035217
PNG
(CHEMBL3343349)
Show SMILES CC1(C)COc2n1nc1ccccc21
Show InChI InChI=1S/C11H12N2O/c1-11(2)7-14-10-8-5-3-4-6-9(8)12-13(10)11/h3-6H,7H2,1-2H3
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n/an/a 1.03E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of myeloperoxidase (unknown origin) assessed as reduction in enzymatic hypochlorous acid production by spectrophotometry based taurine chl...


Bioorg Med Chem 22: 6422-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.044
BindingDB Entry DOI: 10.7270/Q2M0472H
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50035219
PNG
(CHEMBL2141595)
Show SMILES CC1COc2n1nc1ccccc21
Show InChI InChI=1S/C10H10N2O/c1-7-6-13-10-8-4-2-3-5-9(8)11-12(7)10/h2-5,7H,6H2,1H3
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n/an/a 900n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of myeloperoxidase (unknown origin) assessed as reduction in enzymatic hypochlorous acid production by spectrophotometry based taurine chl...


Bioorg Med Chem 22: 6422-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.044
BindingDB Entry DOI: 10.7270/Q2M0472H
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50035220
PNG
(CHEMBL3343348)
Show SMILES CC(CBr)n1n(CC(=O)N2CCOCC2)c2ccccc2c1=O
Show InChI InChI=1S/C16H20BrN3O3/c1-12(10-17)20-16(22)13-4-2-3-5-14(13)19(20)11-15(21)18-6-8-23-9-7-18/h2-5,12H,6-11H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of myeloperoxidase (unknown origin) assessed as reduction in enzymatic hypochlorous acid production by spectrophotometry based taurine chl...


Bioorg Med Chem 22: 6422-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.044
BindingDB Entry DOI: 10.7270/Q2M0472H
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50035221
PNG
(CHEMBL2360147)
Show SMILES CC(CCl)n1n(c2ccccc2c1=O)S(C)(=O)=O
Show InChI InChI=1S/C11H13ClN2O3S/c1-8(7-12)13-11(15)9-5-3-4-6-10(9)14(13)18(2,16)17/h3-6,8H,7H2,1-2H3
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of myeloperoxidase (unknown origin) assessed as reduction in enzymatic hypochlorous acid production by spectrophotometry based taurine chl...


Bioorg Med Chem 22: 6422-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.044
BindingDB Entry DOI: 10.7270/Q2M0472H
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50035222
PNG
(CHEMBL3341774)
Show SMILES CC(COC(C)=O)n1n(C(C)=O)c2ccccc2c1=O
Show InChI InChI=1S/C14H16N2O4/c1-9(8-20-11(3)18)15-14(19)12-6-4-5-7-13(12)16(15)10(2)17/h4-7,9H,8H2,1-3H3
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of myeloperoxidase (unknown origin) assessed as reduction in enzymatic hypochlorous acid production by spectrophotometry based taurine chl...


Bioorg Med Chem 22: 6422-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.044
BindingDB Entry DOI: 10.7270/Q2M0472H
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50035223
PNG
(CHEMBL2137882)
Show SMILES CC(C)n1n(CC(=O)N2CCOCC2)c2ccccc2c1=O
Show InChI InChI=1S/C16H21N3O3/c1-12(2)19-16(21)13-5-3-4-6-14(13)18(19)11-15(20)17-7-9-22-10-8-17/h3-6,12H,7-11H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of myeloperoxidase (unknown origin) assessed as reduction in enzymatic hypochlorous acid production by spectrophotometry based taurine chl...


Bioorg Med Chem 22: 6422-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.044
BindingDB Entry DOI: 10.7270/Q2M0472H
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50035224
PNG
(CHEMBL3343347)
Show SMILES CC(C)n1n(C(C)=O)c2ccccc2c1=O
Show InChI InChI=1S/C12H14N2O2/c1-8(2)13-12(16)10-6-4-5-7-11(10)14(13)9(3)15/h4-8H,1-3H3
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of myeloperoxidase (unknown origin) assessed as reduction in enzymatic hypochlorous acid production by spectrophotometry based taurine chl...


Bioorg Med Chem 22: 6422-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.044
BindingDB Entry DOI: 10.7270/Q2M0472H
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50035225
PNG
(CHEMBL3343346)
Show SMILES CC(C)n1n(c2ccccc2c1=O)S(C)(=O)=O
Show InChI InChI=1S/C11H14N2O3S/c1-8(2)12-11(14)9-6-4-5-7-10(9)13(12)17(3,15)16/h4-8H,1-3H3
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of myeloperoxidase (unknown origin) assessed as reduction in enzymatic hypochlorous acid production by spectrophotometry based taurine chl...


Bioorg Med Chem 22: 6422-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.044
BindingDB Entry DOI: 10.7270/Q2M0472H
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50035226
PNG
(CHEMBL3343345)
Show SMILES CC(COC(C)=O)n1[nH]c2ccccc2c1=O
Show InChI InChI=1S/C12H14N2O3/c1-8(7-17-9(2)15)14-12(16)10-5-3-4-6-11(10)13-14/h3-6,8,13H,7H2,1-2H3
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PubMed
n/an/a 2.12E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of myeloperoxidase (unknown origin) assessed as reduction in enzymatic hypochlorous acid production by spectrophotometry based taurine chl...


Bioorg Med Chem 22: 6422-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.044
BindingDB Entry DOI: 10.7270/Q2M0472H
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50035227
PNG
(CHEMBL3144794)
Show SMILES OCCCn1[nH]c2ccccc2c1=O
Show InChI InChI=1S/C10H12N2O2/c13-7-3-6-12-10(14)8-4-1-2-5-9(8)11-12/h1-2,4-5,11,13H,3,6-7H2
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PubMed
n/an/a 1.95E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of myeloperoxidase (unknown origin) assessed as reduction in enzymatic hypochlorous acid production by spectrophotometry based taurine chl...


Bioorg Med Chem 22: 6422-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.044
BindingDB Entry DOI: 10.7270/Q2M0472H
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50035228
PNG
(CHEMBL3144695)
Show SMILES OCCn1[nH]c2ccccc2c1=O
Show InChI InChI=1S/C9H10N2O2/c12-6-5-11-9(13)7-3-1-2-4-8(7)10-11/h1-4,10,12H,5-6H2
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PubMed
n/an/a 2.47E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of myeloperoxidase (unknown origin) assessed as reduction in enzymatic hypochlorous acid production by spectrophotometry based taurine chl...


Bioorg Med Chem 22: 6422-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.044
BindingDB Entry DOI: 10.7270/Q2M0472H
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50035229
PNG
(CHEMBL3343344)
Show SMILES CCCCCCCCn1[nH]c2ccccc2c1=O
Show InChI InChI=1S/C15H22N2O/c1-2-3-4-5-6-9-12-17-15(18)13-10-7-8-11-14(13)16-17/h7-8,10-11,16H,2-6,9,12H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of myeloperoxidase (unknown origin) assessed as reduction in enzymatic hypochlorous acid production by spectrophotometry based taurine chl...


Bioorg Med Chem 22: 6422-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.044
BindingDB Entry DOI: 10.7270/Q2M0472H
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50035230
PNG
(CHEMBL3144791)
Show SMILES CCCCn1[nH]c2ccccc2c1=O
Show InChI InChI=1S/C11H14N2O/c1-2-3-8-13-11(14)9-6-4-5-7-10(9)12-13/h4-7,12H,2-3,8H2,1H3
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Article
PubMed
n/an/a 792n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of myeloperoxidase (unknown origin) assessed as reduction in enzymatic hypochlorous acid production by spectrophotometry based taurine chl...


Bioorg Med Chem 22: 6422-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.044
BindingDB Entry DOI: 10.7270/Q2M0472H
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50035231
PNG
(CHEMBL3145355)
Show SMILES CC(C)n1[nH]c2ccccc2c1=O
Show InChI InChI=1S/C10H12N2O/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-12/h3-7,11H,1-2H3
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PubMed
n/an/a 660n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of myeloperoxidase (unknown origin) assessed as reduction in enzymatic hypochlorous acid production by spectrophotometry based taurine chl...


Bioorg Med Chem 22: 6422-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.044
BindingDB Entry DOI: 10.7270/Q2M0472H
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50035232
PNG
(CHEMBL3343343)
Show SMILES COc1n(nc2ccccc12)-c1ccc(cc1)C#C
Show InChI InChI=1S/C16H12N2O/c1-3-12-8-10-13(11-9-12)18-16(19-2)14-6-4-5-7-15(14)17-18/h1,4-11H,2H3
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PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of myeloperoxidase (unknown origin) assessed as reduction in enzymatic hypochlorous acid production by spectrophotometry based taurine chl...


Bioorg Med Chem 22: 6422-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.044
BindingDB Entry DOI: 10.7270/Q2M0472H
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50035233
PNG
(CHEMBL3343342)
Show SMILES COc1n(nc2ccccc12)-c1cccc(I)c1
Show InChI InChI=1S/C14H11IN2O/c1-18-14-12-7-2-3-8-13(12)16-17(14)11-6-4-5-10(15)9-11/h2-9H,1H3
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PubMed
n/an/a 1.66E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of myeloperoxidase (unknown origin) assessed as reduction in enzymatic hypochlorous acid production by spectrophotometry based taurine chl...


Bioorg Med Chem 22: 6422-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.044
BindingDB Entry DOI: 10.7270/Q2M0472H
More data for this
Ligand-Target Pair
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