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Assay Detail

CHEMBL4136604

Review assay metadata, readout intent, target linkage, and publication context from the same page.

Binding
Inhibition of Mycobacterium tuberculosis PknA (M1 to A296 residues) expressed in Escherichia coli BL21 (DE3) pLysS cells using [T-33P]ATP as substrate after 120 mins in presence of GarA by liquid scintillation method
24
Total Activities
24
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Mycobacterium tuberculosis
Confidence 8 — Homologous single protein target
Curated By Intermediate

Target

Serine/threonine-protein kinase PknA (CHEMBL4295585)
Type SINGLE PROTEIN
Organism Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)

Publication

Mtb PKNA/PKNB Dual Inhibition Provides Selectivity Advantages for Inhibitor Design To Minimize Host Kinase Interactions.
Wang T, Bemis G, Hanzelka B, Zuccola H, Wynn M, Moody CS, Green J, Locher C, Liu A, Gao H, Xu Y, Wang S, Wang J, Bennani YL, Thomson JA, Müh U.
ACS Med Chem Lett (2017) 8 : 1224 -1229
PubMed 29259738 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 24 7.11 8.05

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4162308 1 8.05
CHEMBL4165984 1 7.96
CHEMBL4162544 1 7.92
CHEMBL4173915 1 7.75
CHEMBL4170479 1 7.75
CHEMBL4162719 1 7.66
CHEMBL4162511 1 5.75
CHEMBL4170446 1 5.64
CHEMBL4177445 1 5.54
CHEMBL4173877 1 -
CHEMBL4165949 1 -
CHEMBL4159344 1 -
CHEMBL4167265 1 -
CHEMBL4170653 1 -
CHEMBL4166160 1 -
CHEMBL4172982 1 -
CHEMBL4169382 1 -
CHEMBL4170024 1 -
CHEMBL4159392 1 -
CHEMBL4164081 1 -
CHEMBL4174513 1 -
CHEMBL4177229 1 -
CHEMBL4176789 1 -
CHEMBL4172772 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4162308 Ki = 9.0 nM 8.05
CHEMBL4165984 Ki = 11.0 nM 7.96
CHEMBL4162544 Ki = 12.0 nM 7.92
CHEMBL4173915 Ki = 18.0 nM 7.75
CHEMBL4170479 Ki = 18.0 nM 7.75
CHEMBL4162719 Ki = 22.0 nM 7.66
CHEMBL4162511 Ki = 1800.0 nM 5.75
CHEMBL4170446 Ki = 2300.0 nM 5.64
CHEMBL4177445 Ki = 2900.0 nM 5.54
CHEMBL4173877 Ki > 4000.0 nM -
CHEMBL4165949 Ki > 4000.0 nM -
CHEMBL4159344 Ki > 4000.0 nM -
CHEMBL4167265 Ki > 4000.0 nM -
CHEMBL4170653 Ki < 8.0 nM -
CHEMBL4166160 Ki < 8.0 nM -
CHEMBL4172982 Ki < 8.0 nM -
CHEMBL4169382 Ki - -
CHEMBL4170024 Ki > 33000.0 nM -
CHEMBL4159392 Ki > 33000.0 nM -
CHEMBL4164081 Ki > 33000.0 nM -
CHEMBL4174513 Ki > 33000.0 nM -
CHEMBL4177229 Ki > 4000.0 nM -
CHEMBL4176789 Ki > 4000.0 nM -
CHEMBL4172772 Ki > 4000.0 nM -