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Assay Detail

CHEMBL4253916

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Binding
Inhibition of Mycobacterium tuberculosis PtpB using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate addition measured every minute for 10 mins by UV-VIS spectrophotometric analysis
18
Total Activities
9
Compounds Tested
2
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Mycobacterium tuberculosis
Confidence 9 — Direct single protein target
Curated By Intermediate

Target

Phosphotyrosine protein phosphatase (CHEMBL4295521)
Type SINGLE PROTEIN
Organism Mycobacterium tuberculosis

Publication

Naturally occurring Diels-Alder-type adducts from Morus nigra as potent inhibitors of Mycobacterium tuberculosis protein tyrosine phosphatase B.
Mascarello A, Orbem Menegatti AC, Calcaterra A, Martins PGA, Chiaradia-Delatorre LD, D'Acquarica I, Ferrari F, Pau V, Sanna A, De Logu A, Botta M, Botta B, Terenzi H, Mori M.
Eur J Med Chem (2018) 144 : 277 -288
PubMed 29275228 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 17 5.66 6.44
Ki 1 5.80 5.80

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4290098 2 6.44
CHEMBL4279417 2 6.08
CHEMBL463145 NORARTOCARPETIN 2 5.92
CHEMBL1808155 CHALCOMORACIN 2 5.84
CHEMBL4280952 2 5.80
CHEMBL4291588 2 5.33
CHEMBL220746 CUDRAFLAVANONE A 2 5.29
CHEMBL464006 MORUSIN 2 5.28
CHEMBL43065 OXYRESVERATROL 2 5.08

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4290098 IC50 = 363.08 nM 6.44
CHEMBL4290098 IC50 = 360.0 nM 6.44
CHEMBL4279417 IC50 = 830.0 nM 6.08
CHEMBL4279417 IC50 = 831.76 nM 6.08
CHEMBL463145 NORARTOCARPETIN IC50 = 1202.26 nM 5.92
CHEMBL463145 NORARTOCARPETIN IC50 = 1200.0 nM 5.92
CHEMBL1808155 CHALCOMORACIN IC50 = 1445.44 nM 5.84
CHEMBL1808155 CHALCOMORACIN IC50 = 1430.0 nM 5.84
CHEMBL4280952 Ki = 1600.0 nM 5.80
CHEMBL4280952 IC50 = 1900.0 nM 5.72
CHEMBL4291588 IC50 = 4677.35 nM 5.33
CHEMBL4291588 IC50 = 4700.0 nM 5.33
CHEMBL220746 CUDRAFLAVANONE A IC50 = 5128.61 nM 5.29
CHEMBL220746 CUDRAFLAVANONE A IC50 = 5070.0 nM 5.29
CHEMBL464006 MORUSIN IC50 = 5260.0 nM 5.28
CHEMBL464006 MORUSIN IC50 = 5248.07 nM 5.28
CHEMBL43065 OXYRESVERATROL IC50 = 8420.0 nM 5.08
CHEMBL43065 OXYRESVERATROL IC50 = 8511.38 nM 5.07