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Assay Detail

CHEMBL3396196

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Binding
Inhibition of Mycobacterium tuberculosis thymidylate kinase activity by pyruvate kinase-lactate dehydrogenase coupled assay
ChEMBL ↗
43
Total Activities
43
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

Thymidylate kinase (CHEMBL2361) ↗
Type SINGLE PROTEIN
Organism Mycobacterium tuberculosis

Publication

Structure guided lead generation for M. tuberculosis thymidylate kinase (Mtb TMK): discovery of 3-cyanopyridone and 1,6-naphthyridin-2-one as potent inhibitors.
Naik M, Raichurkar A, Bandodkar BS, Varun BV, Bhat S, Kalkhambkar R, Murugan K, Menon R, Bhat J, Paul B, Iyer H, Hussein S, Tucker JA, Vogtherr M, Embrey KJ, McMiken H, Prasad S, Gill A, Ugarkar BG, Venkatraman J, Read J, Panda M.
J Med Chem (2015) 58 : 753 -766
PubMed 25486447 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 43 6.60 9.00

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3394234 — — 1 9.00
CHEMBL3394233 — — 1 8.70
CHEMBL3394236 — — 1 8.70
CHEMBL3394163 — — 1 8.52
CHEMBL3394232 — — 1 8.30
CHEMBL3394237 — — 1 8.30
CHEMBL3394161 — — 1 8.22
CHEMBL3394162 — — 1 8.22
CHEMBL3394235 — — 1 7.77
CHEMBL3394249 — — 1 7.66
CHEMBL3394250 — — 1 7.50
CHEMBL3394247 — — 1 7.00
CHEMBL3394246 — — 1 6.85
CHEMBL3394242 — — 1 6.70
CHEMBL3394245 — — 1 6.62
CHEMBL3394155 — — 1 6.60
CHEMBL3394248 — — 1 6.48
CHEMBL3394240 — — 1 6.46
CHEMBL3394151 — — 1 6.38
CHEMBL3394157 — — 1 6.37
CHEMBL3394244 — — 1 6.09
CHEMBL3394241 — — 1 6.00
CHEMBL3394153 — — 1 6.00
CHEMBL3394160 — — 1 5.92
CHEMBL3394154 — — 1 5.92
CHEMBL3394148 — — 1 5.82
CHEMBL3394146 — — 1 5.72
CHEMBL1477426 — — 1 5.72
CHEMBL3394243 — — 1 5.68
CHEMBL3394156 — — 1 5.58

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3394234 — IC50 = 1.0 nM 9.00
CHEMBL3394233 — IC50 = 2.0 nM 8.70
CHEMBL3394236 — IC50 = 2.0 nM 8.70
CHEMBL3394163 — IC50 = 3.0 nM 8.52
CHEMBL3394232 — IC50 = 5.0 nM 8.30
CHEMBL3394237 — IC50 = 5.0 nM 8.30
CHEMBL3394161 — IC50 = 6.0 nM 8.22
CHEMBL3394162 — IC50 = 6.0 nM 8.22
CHEMBL3394235 — IC50 = 17.0 nM 7.77
CHEMBL3394249 — IC50 = 22.0 nM 7.66
CHEMBL3394250 — IC50 = 32.0 nM 7.50
CHEMBL3394247 — IC50 = 100.0 nM 7.00
CHEMBL3394246 — IC50 = 140.0 nM 6.85
CHEMBL3394242 — IC50 = 200.0 nM 6.70
CHEMBL3394245 — IC50 = 240.0 nM 6.62
CHEMBL3394155 — IC50 = 250.0 nM 6.60
CHEMBL3394248 — IC50 = 330.0 nM 6.48
CHEMBL3394240 — IC50 = 350.0 nM 6.46
CHEMBL3394151 — IC50 = 420.0 nM 6.38
CHEMBL3394157 — IC50 = 430.0 nM 6.37
CHEMBL3394244 — IC50 = 820.0 nM 6.09
CHEMBL3394241 — IC50 = 1000.0 nM 6.00
CHEMBL3394153 — IC50 = 1010.0 nM 6.00
CHEMBL3394160 — IC50 = 1200.0 nM 5.92
CHEMBL3394154 — IC50 = 1200.0 nM 5.92
CHEMBL3394148 — IC50 = 1500.0 nM 5.82
CHEMBL3394146 — IC50 = 1900.0 nM 5.72
CHEMBL1477426 — IC50 = 1900.0 nM 5.72
CHEMBL3394243 — IC50 = 2100.0 nM 5.68
CHEMBL3394156 — IC50 = 2630.0 nM 5.58
CHEMBL3394152 — IC50 = 2730.0 nM 5.56
CHEMBL3394145 — IC50 = 3600.0 nM 5.44
CHEMBL3394149 — IC50 = 7700.0 nM 5.11
CHEMBL3394158 — IC50 = 8000.0 nM 5.10
CHEMBL3394159 — IC50 = 14300.0 nM 4.84
CHEMBL3394150 — IC50 = 18000.0 nM 4.75
CHEMBL3394252 — IC50 = 30000.0 nM 4.52
CHEMBL110569 — IC50 > 50000.0 nM -
CHEMBL3394238 — IC50 = 590000.0 nM -
CHEMBL356501 — IC50 = 634000.0 nM -
CHEMBL3394147 — IC50 > 50000.0 nM -
CHEMBL3394239 — IC50 = 133000.0 nM -
CHEMBL3394251 — IC50 > 25000.0 nM -