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Assay Detail

CHEMBL3877132

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Binding
Inhibition of human MPO
ChEMBL ↗
69
Total Activities
56
Compounds Tested
2
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Myeloperoxidase (CHEMBL2439) ↗
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

From Dynamic Combinatorial Chemistry to in Vivo Evaluation of Reversible and Irreversible Myeloperoxidase Inhibitors.
Soubhye J, Gelbcke M, Van Antwerpen P, Dufrasne F, Boufadi MY, Nève J, Furtmüller PG, Obinger C, Zouaoui Boudjeltia K, Meyer F.
ACS Med Chem Lett (2017) 8 : 206 -210
PubMed 28197313 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Inhibition 54 - -
IC50 15 6.22 7.10

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3194273 — — 2 7.10
CHEMBL3883810 — — 2 6.96
CHEMBL3884025 — — 2 6.82
CHEMBL3545483 — — 2 6.47
CHEMBL3885085 — — 2 6.37
CHEMBL2105120 FTIVAZIDE 2.0 2 6.34
CHEMBL276832 HYDRALAZINE 4.0 2 6.05
CHEMBL3884522 — — 2 5.95
CHEMBL3883787 — — 2 5.92
CHEMBL1945275 N'-(4-DIMETHYLAMINOBENZYLIDENE)ISONICOTINOHYDRAZIDE — 2 5.79
CHEMBL3883225 — — 2 5.51
CHEMBL64 ISONIAZID 4.0 2 5.33
CHEMBL352799 — — 1 -
CHEMBL3884712 — — 1 -
CHEMBL1606435 — — 1 -
CHEMBL3884509 — — 1 -
CHEMBL506976 — — 1 -
CHEMBL1235482 GLUTARAL 2.0 1 -
CHEMBL170365 ACETALDEHYDE — 1 -
CHEMBL3884568 — — 1 -
CHEMBL3885290 — — 1 -
CHEMBL189362 FURFURAL — 1 -
CHEMBL455917 CHLORAL HYDRATE 3.0 1 -
CHEMBL1086445 CROTONALDEHYDE — 1 -
CHEMBL1255 FORMALDEHYDE -1.0 1 -
CHEMBL3884735 — — 1 -
CHEMBL1404017 ISOBUTYRALDEHYDE — 1 -
CHEMBL2270061 2-METHYLPENTANAL — 1 -
CHEMBL275626 PROPIONALDEHYDE — 1 -
CHEMBL446036 MALONALDEHYDE — 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3194273 — IC50 = 80.0 nM 7.10
CHEMBL3883810 — IC50 = 110.0 nM 6.96
CHEMBL3884025 — IC50 = 150.0 nM 6.82
CHEMBL3545483 — IC50 = 340.0 nM 6.47
CHEMBL3885085 — IC50 = 430.0 nM 6.37
CHEMBL2105120 FTIVAZIDE IC50 = 460.0 nM 6.34
CHEMBL276832 HYDRALAZINE IC50 = 900.0 nM 6.05
CHEMBL3884522 — IC50 = 1130.0 nM 5.95
CHEMBL3883787 — IC50 = 1200.0 nM 5.92
CHEMBL1945275 N'-(4-DIMETHYLAMINOBENZYLIDENE)ISONICOTINOHYDRAZIDE IC50 = 1620.0 nM 5.79
CHEMBL3883225 — IC50 = 3100.0 nM 5.51
CHEMBL64 ISONIAZID IC50 = 4700.0 nM 5.33
CHEMBL1945275 N'-(4-DIMETHYLAMINOBENZYLIDENE)ISONICOTINOHYDRAZIDE Inhibition = 100.0 % -
CHEMBL396295 2-METHOXYBENZALDEHYDE Inhibition - % -
CHEMBL3885085 — Inhibition = 91.0 % -
CHEMBL2105120 FTIVAZIDE Inhibition = 82.0 % -
CHEMBL3883225 — Inhibition = 100.0 % -
CHEMBL3884522 — Inhibition = 91.0 % -
CHEMBL3883787 — Inhibition = 82.0 % -
CHEMBL3883810 — Inhibition = 186.0 % -
CHEMBL3194273 — Inhibition = 100.0 % -
CHEMBL3884025 — Inhibition = 91.0 % -
CHEMBL276832 HYDRALAZINE Inhibition = 61.0 % -
CHEMBL14193 4-HYDROXYBENZALDEHYDE Inhibition - % -
CHEMBL3884307 — Inhibition = 61.0 % -
CHEMBL3884307 — IC50 > 5000.0 nM -
CHEMBL64 ISONIAZID Inhibition = 61.0 % -
CHEMBL13883 VANILLIN Inhibition - % -
CHEMBL3577781 — Inhibition - % -
CHEMBL1885510 — Inhibition - % -
CHEMBL3884023 — Inhibition - % -
CHEMBL446036 MALONALDEHYDE Inhibition - % -
CHEMBL3884912 — Inhibition = 61.0 % -
CHEMBL3884735 — Inhibition - % -
CHEMBL352799 — Inhibition = 61.0 % -
CHEMBL3884712 — Inhibition = 61.0 % -
CHEMBL1606435 — Inhibition - % -
CHEMBL3884509 — Inhibition - % -
CHEMBL506976 — Inhibition - % -
CHEMBL1235482 GLUTARAL Inhibition - % -
CHEMBL170365 ACETALDEHYDE Inhibition - % -
CHEMBL3885290 — IC50 > 5000.0 nM -
CHEMBL275626 PROPIONALDEHYDE Inhibition - % -
CHEMBL2270061 2-METHYLPENTANAL Inhibition - % -
CHEMBL1255 FORMALDEHYDE Inhibition - % -
CHEMBL3545483 — Inhibition = 82.0 % -
CHEMBL1404017 ISOBUTYRALDEHYDE Inhibition - % -
CHEMBL3883402 — Inhibition - % -
CHEMBL3884001 — Inhibition - % -
CHEMBL3883935 — IC50 > 5000.0 nM -