Assay Detail

CHEMBL5736683

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Binding

MPO Chlorination (APF) Assay : MPO chlorination activity was measured in 100 mM KPi (pH 7.4) by utilizing the non-fluorescent reagent Aminophenyl fluorescein (APF, Invitrogen catalog #A36003). APF is cleaved by (OCl) to yield the fluorescent compound fluorescein. Reactions were carried out in 50 μL total volume by adding a 25 μL mixture of 200 pM myeloperoxidase and 120 mM NaCl to 100 nL inhibitor in 100% DMSO in a 384 well, non-binding surface clear bottom plate (CORNING® #3655). Enzyme, inhibitor, and chloride were preincubated for ten minutes at rt.After the ten minute preincubation, 25 μL of an APF mixture containing 10 mM APF, 120 mM NaCl and 10 μM H2O2 was added to the plate using the internal dispensing system of a Hammatsu FDSS 6000. Kinetic determinations were carried out immediately on the FDSS 6000 (3 minute kinetic read, 1 read every second, ex: 485 nm, em: 535 nm). IC50 values for inhibitors were calculated by taking the slope of the linear portion of the kinetic measurement (20 seconds to 80-120 secs).IC50 values were calculated by determining the slope of the linear portion of the kinetic trace (180-540 secs), and using that calculated slope to determine % inhibition occurring at each concentration of inhibitor using the following equation:Y = A + B - A 1 + ( C / x ) Dwhere A=minimal Y value (activity level of inhibited sample), B=maximal Y value (activity level of uninhibited sample), C=Log IC50, D=Hill Slope, x=concentration of inhibitor.

ChEMBL ↗

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Target

Myeloperoxidase (CHEMBL2439) ↗

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Primary target Myeloperoxidase

CHEMBL2439

Anchored from Assay target.

Protein identity Myeloperoxidase

Disease frame Disease evidence pending

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495

Total Activities

164

Compounds Tested

Activity Types

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

Thioether triazolopyridine and triazolopyrimidine inhibitors of myeloperoxidase

(2021)

Activity Statistics

Type	Count	Avg pChEMBL	Best pChEMBL
IC50	165	6.75	8.15
kon	165	-	-
k_off	165	-	-

Compounds Tested

Compound	Name	Phase	Activities	Best pChEMBL
CHEMBL5796857	—	—	3	8.15
CHEMBL5794368	—	—	3	8.05
CHEMBL5892400	—	—	3	8.00
CHEMBL4482878	—	—	3	8.00
CHEMBL5826941	—	—	3	8.00
CHEMBL5937228	—	—	3	8.00
CHEMBL6005245	—	—	3	7.70
CHEMBL6030872	—	—	3	7.70
CHEMBL5951776	—	—	6	7.10
CHEMBL5859009	—	—	3	7.10
CHEMBL5865449	—	—	3	7.10
CHEMBL6005350	—	—	3	7.10
CHEMBL5966281	—	—	3	7.10
CHEMBL5810606	—	—	3	7.10
CHEMBL5801912	—	—	3	7.10
CHEMBL5828337	—	—	3	7.05
CHEMBL5887641	—	—	3	6.89
CHEMBL5749255	—	—	3	6.89
CHEMBL5841007	—	—	3	6.89
CHEMBL6016361	—	—	3	6.89
CHEMBL6059766	—	—	3	6.89
CHEMBL5864348	—	—	3	6.89
CHEMBL5879049	—	—	3	6.89
CHEMBL5887258	—	—	3	6.89
CHEMBL5882258	—	—	3	6.89
CHEMBL6059839	—	—	3	6.89
CHEMBL5850064	—	—	3	6.89
CHEMBL5998040	—	—	3	6.89
CHEMBL5890417	—	—	3	6.89
CHEMBL5779112	—	—	3	6.89

Activity Data

Compound	Name	Type	Rel.	Value	Units	pChEMBL
CHEMBL5796857	—	IC50	=	7.0	nM	8.15
CHEMBL5794368	—	IC50	=	9.0	nM	8.05
CHEMBL4482878	—	IC50	=	10.0	nM	8.00
CHEMBL5937228	—	IC50	=	10.0	nM	8.00
CHEMBL5826941	—	IC50	=	10.0	nM	8.00
CHEMBL5892400	—	IC50	=	10.0	nM	8.00
CHEMBL6005245	—	IC50	=	20.0	nM	7.70
CHEMBL6030872	—	IC50	=	20.0	nM	7.70
CHEMBL6005350	—	IC50	=	80.0	nM	7.10
CHEMBL5966281	—	IC50	=	80.0	nM	7.10
CHEMBL5865449	—	IC50	=	80.0	nM	7.10
CHEMBL5810606	—	IC50	=	80.0	nM	7.10
CHEMBL5859009	—	IC50	=	80.0	nM	7.10
CHEMBL5801912	—	IC50	=	80.0	nM	7.10
CHEMBL5951776	—	IC50	=	80.0	nM	7.10
CHEMBL5828337	—	IC50	=	90.0	nM	7.05
CHEMBL5850064	—	IC50	=	130.0	nM	6.89
CHEMBL6027751	—	IC50	=	130.0	nM	6.89
CHEMBL5998040	—	IC50	=	130.0	nM	6.89
CHEMBL5890417	—	IC50	=	130.0	nM	6.89
CHEMBL6003627	—	IC50	=	130.0	nM	6.89
CHEMBL5779112	—	IC50	=	130.0	nM	6.89
CHEMBL5746297	—	IC50	=	130.0	nM	6.89
CHEMBL5994419	—	IC50	=	130.0	nM	6.89
CHEMBL5820492	—	IC50	=	130.0	nM	6.89
CHEMBL5937081	—	IC50	=	130.0	nM	6.89
CHEMBL6056951	—	IC50	=	130.0	nM	6.89
CHEMBL5838547	—	IC50	=	130.0	nM	6.89
CHEMBL5774871	—	IC50	=	130.0	nM	6.89
CHEMBL5943709	—	IC50	=	130.0	nM	6.89
CHEMBL5909619	—	IC50	=	130.0	nM	6.89
CHEMBL5818098	—	IC50	=	130.0	nM	6.89
CHEMBL5902394	—	IC50	=	130.0	nM	6.89
CHEMBL5953747	—	IC50	=	130.0	nM	6.89
CHEMBL5747211	—	IC50	=	130.0	nM	6.89
CHEMBL5887641	—	IC50	=	130.0	nM	6.89
CHEMBL5749255	—	IC50	=	130.0	nM	6.89
CHEMBL5872833	—	IC50	=	130.0	nM	6.89
CHEMBL5841007	—	IC50	=	130.0	nM	6.89
CHEMBL6016361	—	IC50	=	130.0	nM	6.89
CHEMBL5958002	—	IC50	=	130.0	nM	6.89
CHEMBL6059766	—	IC50	=	130.0	nM	6.89
CHEMBL5945985	—	IC50	=	130.0	nM	6.89
CHEMBL5864348	—	IC50	=	130.0	nM	6.89
CHEMBL5879049	—	IC50	=	130.0	nM	6.89
CHEMBL4594116	—	IC50	=	130.0	nM	6.89
CHEMBL5887258	—	IC50	=	130.0	nM	6.89
CHEMBL6023745	—	IC50	=	130.0	nM	6.89
CHEMBL5882258	—	IC50	=	130.0	nM	6.89
CHEMBL6059839	—	IC50	=	130.0	nM	6.89