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Assay Detail

CHEMBL935779

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Binding
Inhibition of beta-lactamase AmpC
46
Total Activities
45
Compounds Tested
2
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Confidence 0 — Uncurated / Unknown
Curated By Autocuration

Target

Unchecked (CHEMBL612545)
Type UNCHECKED

Publication

Comprehensive mechanistic analysis of hits from high-throughput and docking screens against beta-lactamase.
Babaoglu K, Simeonov A, Irwin JJ, Nelson ME, Feng B, Thomas CJ, Cancian L, Costi MP, Maltby DA, Jadhav A, Inglese J, Austin CP, Shoichet BK.
J Med Chem (2008) 51 : 2502 -2511
PubMed 18333608 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 33 4.49 4.96
Ki 13 4.71 5.10

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL405886 1 5.10
CHEMBL258670 1 4.96
CHEMBL428611 1 4.85
CHEMBL261259 1 4.82
CHEMBL261377 1 4.77
CHEMBL437061 1 4.70
CHEMBL258699 1 4.66
CHEMBL409906 1 4.66
CHEMBL408636 1 4.60
CHEMBL264702 1 4.43
CHEMBL411848 1 4.39
CHEMBL261122 1 4.37
CHEMBL406555 1 4.26
CHEMBL265957 1 4.22
CHEMBL261208 1 4.16
CHEMBL259355 1 4.02
CHEMBL6246 ELLAGIC ACID 2.0 1 -
CHEMBL404954 1 -
CHEMBL275938 AURINTRICARBOXYLIC ACID 1 -
CHEMBL436913 1 -
CHEMBL259018 1 -
CHEMBL259140 1 -
CHEMBL405912 1 -
CHEMBL428814 1 -
CHEMBL354646 1 -
CHEMBL409024 1 -
CHEMBL261812 1 -
CHEMBL258538 1 -
CHEMBL260993 1 -
CHEMBL258877 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL405886 Ki = 8000.0 nM 5.10
CHEMBL258670 IC50 = 11000.0 nM 4.96
CHEMBL428611 Ki = 14000.0 nM 4.85
CHEMBL261259 IC50 = 15000.0 nM 4.82
CHEMBL261377 Ki = 17000.0 nM 4.77
CHEMBL437061 IC50 = 20000.0 nM 4.70
CHEMBL258699 IC50 = 22000.0 nM 4.66
CHEMBL409906 IC50 = 22000.0 nM 4.66
CHEMBL408636 IC50 = 25000.0 nM 4.60
CHEMBL264702 Ki = 37000.0 nM 4.43
CHEMBL411848 Ki = 41000.0 nM 4.39
CHEMBL261122 IC50 = 43000.0 nM 4.37
CHEMBL406555 IC50 = 55000.0 nM 4.26
CHEMBL265957 IC50 = 60000.0 nM 4.22
CHEMBL261208 IC50 = 70000.0 nM 4.16
CHEMBL259355 IC50 = 95000.0 nM 4.02
CHEMBL405386 IC50 > 600000.0 nM -
CHEMBL260148 IC50 < 1000.0 nM -
CHEMBL436913 IC50 > 600000.0 nM -
CHEMBL264947 IC50 > 600000.0 nM -
CHEMBL259139 IC50 > 600000.0 nM -
CHEMBL261687 IC50 > 600000.0 nM -
CHEMBL261688 IC50 < 600000.0 nM -
CHEMBL404957 IC50 = 600000.0 nM -
CHEMBL264945 IC50 > 600000.0 nM -
CHEMBL258465 IC50 > 600000.0 nM -
CHEMBL260855 Ki = 210000.0 nM -
CHEMBL407093 Ki = 158000.0 nM -
CHEMBL262870 Ki = 830000.0 nM -
CHEMBL262871 Ki = 360000.0 nM -
CHEMBL407262 Ki = 6900000.0 nM -
CHEMBL258877 Ki = 1300000.0 nM -
CHEMBL260993 Ki = 1200000.0 nM -
CHEMBL258538 Ki = 140000.0 nM -
CHEMBL261812 IC50 < 1000.0 nM -
CHEMBL409024 IC50 = 160000.0 nM -
CHEMBL354646 IC50 > 600000.0 nM -
CHEMBL428814 IC50 > 600000.0 nM -
CHEMBL405912 IC50 > 600000.0 nM -
CHEMBL259140 IC50 > 600000.0 nM -
CHEMBL260148 IC50 < 1000.0 nM -
CHEMBL404954 IC50 = 270000.0 nM -
CHEMBL6246 ELLAGIC ACID IC50 = 146000.0 nM -
CHEMBL275938 AURINTRICARBOXYLIC ACID IC50 = 120000.0 nM -
CHEMBL260676 IC50 > 600000.0 nM -
CHEMBL259018 IC50 < 1000.0 nM -