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PubMed code 25438766

Compile data set for download or QSAR
Found 38 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))
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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Article
PubMed
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


(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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Article
PubMed
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


(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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PubMed
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


(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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PubMed
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


(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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PubMed
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


(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


(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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Article
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


(Homo sapiens (Human))
BDBM50035292
PNG
(CHEMBL3343327)
Show SMILES COc1n(nc2ccccc12)C(C)C
Show InChI InChI=1S/C11H14N2O/c1-8(2)13-11(14-3)9-6-4-5-7-10(9)12-13/h4-8H,1-3H3
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n/an/a 704n/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


(Homo sapiens (Human))
BDBM50035289
PNG
(CHEMBL3343330)
Show SMILES COc1n(nc2cc3OCOc3cc12)C(C)C
Show InChI InChI=1S/C12H14N2O3/c1-7(2)14-12(15-3)8-4-10-11(17-6-16-10)5-9(8)13-14/h4-5,7H,6H2,1-3H3
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PubMed
n/an/a 711n/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


(Homo sapiens (Human))
BDBM50035291
PNG
(CHEMBL3343328)
Show SMILES CCOc1n(nc2ccccc12)C(C)C
Show InChI InChI=1S/C12H16N2O/c1-4-15-12-10-7-5-6-8-11(10)13-14(12)9(2)3/h5-9H,4H2,1-3H3
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PubMed
n/an/a 722n/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


(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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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


(Homo sapiens (Human))
BDBM50035287
PNG
(CHEMBL3343332)
Show SMILES CCCCn1nc2ccccc2c1OCC
Show InChI InChI=1S/C13H18N2O/c1-3-5-10-15-13(16-4-2)11-8-6-7-9-12(11)14-15/h6-9H,3-5,10H2,1-2H3
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PubMed
n/an/a 807n/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


(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


(Homo sapiens (Human))
BDBM50035288
PNG
(CHEMBL3343331)
Show SMILES CCCCn1nc2ccccc2c1OC
Show InChI InChI=1S/C12H16N2O/c1-3-4-9-14-12(15-2)10-7-5-6-8-11(10)13-14/h5-8H,3-4,9H2,1-2H3
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PubMed
n/an/a 910n/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


(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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PubMed
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


(Homo sapiens (Human))
BDBM50035281
PNG
(CHEMBL3343338)
Show SMILES COCCn1nc2ccccc2c1OC
Show InChI InChI=1S/C11H14N2O2/c1-14-8-7-13-11(15-2)9-5-3-4-6-10(9)12-13/h3-6H,7-8H2,1-2H3
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PubMed
n/an/a 1.08E+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


(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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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


(Homo sapiens (Human))
BDBM50035290
PNG
(CHEMBL3343329)
Show SMILES COCCOc1n(nc2ccccc12)C(C)C
Show InChI InChI=1S/C13H18N2O2/c1-10(2)15-13(17-9-8-16-3)11-6-4-5-7-12(11)14-15/h4-7,10H,8-9H2,1-3H3
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n/an/a 1.40E+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


(Homo sapiens (Human))
BDBM50035282
PNG
(CHEMBL3343337)
Show SMILES COc1n(CCCCCO)nc2ccccc12
Show InChI InChI=1S/C13H18N2O2/c1-17-13-11-7-3-4-8-12(11)14-15(13)9-5-2-6-10-16/h3-4,7-8,16H,2,5-6,9-10H2,1H3
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n/an/a 1.54E+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


(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
Myeloperoxidase


(Homo sapiens (Human))
BDBM50035283
PNG
(CHEMBL3343336)
Show SMILES COc1n(CCCCO)nc2ccccc12
Show InChI InChI=1S/C12H16N2O2/c1-16-12-10-6-2-3-7-11(10)13-14(12)8-4-5-9-15/h2-3,6-7,15H,4-5,8-9H2,1H3
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PubMed
n/an/a 1.79E+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


(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


(Homo sapiens (Human))
BDBM50035234
PNG
(CHEMBL3343341)
Show SMILES COc1n(nc2ccccc12)-c1ccc(I)cc1
Show InChI InChI=1S/C14H11IN2O/c1-18-14-12-4-2-3-5-13(12)16-17(14)11-8-6-10(15)7-9-11/h2-9H,1H3
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n/an/a 2.00E+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


(Homo sapiens (Human))
BDBM50035261
PNG
(CHEMBL3343339)
Show SMILES COc1n(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C14H12N2O/c1-17-14-12-9-5-6-10-13(12)15-16(14)11-7-3-2-4-8-11/h2-10H,1H3
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n/an/a 2.03E+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


(Homo sapiens (Human))
BDBM50035226
PNG
(CHEMBL3343345)
Show SMILES CC(COC(C)=O)n1[nH]c2ccccc2c1=O
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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


(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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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


(Homo sapiens (Human))
BDBM50035286
PNG
(CHEMBL3343333)
Show SMILES CCCCCn1nc2ccccc2c1OC
Show InChI InChI=1S/C13H18N2O/c1-3-4-7-10-15-13(16-2)11-8-5-6-9-12(11)14-15/h5-6,8-9H,3-4,7,10H2,1-2H3
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n/an/a 3.88E+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


(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


(Homo sapiens (Human))
BDBM50035241
PNG
(CHEMBL3343340)
Show SMILES COc1n(nc2ccccc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C14H11ClN2O/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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n/an/a 4.77E+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


(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


(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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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


(Homo sapiens (Human))
BDBM50035285
PNG
(CHEMBL3343334)
Show SMILES CCCCCCCCn1nc2ccccc2c1OC
Show InChI InChI=1S/C16H24N2O/c1-3-4-5-6-7-10-13-18-16(19-2)14-11-8-9-12-15(14)17-18/h8-9,11-12H,3-7,10,13H2,1-2H3
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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


(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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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


(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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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


(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


(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


(Homo sapiens (Human))
BDBM50035284
PNG
(CHEMBL3343335)
Show SMILES CCCCCCCCn1nc2ccccc2c1OCC
Show InChI InChI=1S/C17H26N2O/c1-3-5-6-7-8-11-14-19-17(20-4-2)15-12-9-10-13-16(15)18-19/h9-10,12-13H,3-8,11,14H2,1-2H3
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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


(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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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
* indicates data uncertainty>20%