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Assay Detail

CHEMBL5520840

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

Binding
Inhibition of GST tagged NDM-1 (unknown origin) expressed in Escherichia coli BL21 Star (DE3) competent cells using CCF2-FA as substrate incubated for 2 hrs by fluorescence based analysis
26
Total Activities
26
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

Unchecked (CHEMBL612545)
Type UNCHECKED

Publication

Structure Guided Discovery of Novel Pan Metallo-β-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
Dong S, Zhao Z, Tang H, Li G, Pan J, Gu X, Jiang J, Xiao L, Scapin G, Hunter DN, Yang D, Huang Y, Bennett F, Yang SW, Mandal M, Tang H, Su J, Tudge C, deJesus RK, Ding FX, Lombardo M, Hicks JD, Fischmann T, Mirza A, Dayananth P, Painter RE, Villafania A, Garlisi CG, Zhang R, Mayhood TW, Si Q, Li N, Amin RP, Bhatt B, Chen F, Regan CP, Regan H, Lin X, Wu J, Leithead A, Pollack SR, Scott JD, Nargund RP, Therien AG, Black T, Young K, Pasternak A.
J Med Chem (2024) 67 : 3400 -3418
PubMed 38387069 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 26 8.66 10.40

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5560688 1 10.40
CHEMBL5557291 1 10.00
CHEMBL5561531 1 10.00
CHEMBL5558966 1 9.70
CHEMBL5562489 1 9.52
CHEMBL5557976 1 9.15
CHEMBL5562433 1 9.10
CHEMBL5564330 1 9.10
CHEMBL5566592 1 9.05
CHEMBL5560177 1 8.96
CHEMBL5555996 1 8.64
CHEMBL5542703 1 8.57
CHEMBL5284444 1 8.43
CHEMBL5557107 1 8.41
CHEMBL5564168 1 8.40
CHEMBL5562403 1 8.30
CHEMBL5562757 1 8.22
CHEMBL5559568 1 8.19
CHEMBL5560114 1 8.03
CHEMBL5558088 1 7.96
CHEMBL5555936 1 7.96
CHEMBL5558856 1 7.96
CHEMBL5562205 1 7.92
CHEMBL5565123 1 7.87
CHEMBL5560620 1 7.76
CHEMBL5559133 1 7.51

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5560688 IC50 = 0.04 nM 10.40
CHEMBL5557291 IC50 = 0.1 nM 10.00
CHEMBL5561531 IC50 = 0.1 nM 10.00
CHEMBL5558966 IC50 = 0.2 nM 9.70
CHEMBL5562489 IC50 = 0.3 nM 9.52
CHEMBL5557976 IC50 = 0.7 nM 9.15
CHEMBL5562433 IC50 = 0.8 nM 9.10
CHEMBL5564330 IC50 = 0.8 nM 9.10
CHEMBL5566592 IC50 = 0.9 nM 9.05
CHEMBL5560177 IC50 = 1.1 nM 8.96
CHEMBL5555996 IC50 = 2.3 nM 8.64
CHEMBL5542703 IC50 = 2.7 nM 8.57
CHEMBL5284444 IC50 = 3.7 nM 8.43
CHEMBL5557107 IC50 = 3.9 nM 8.41
CHEMBL5564168 IC50 = 4.0 nM 8.40
CHEMBL5562403 IC50 = 5.0 nM 8.30
CHEMBL5562757 IC50 = 6.0 nM 8.22
CHEMBL5559568 IC50 = 6.4 nM 8.19
CHEMBL5560114 IC50 = 9.3 nM 8.03
CHEMBL5558088 IC50 = 11.0 nM 7.96
CHEMBL5555936 IC50 = 11.0 nM 7.96
CHEMBL5558856 IC50 = 11.0 nM 7.96
CHEMBL5562205 IC50 = 12.0 nM 7.92
CHEMBL5565123 IC50 = 13.5 nM 7.87
CHEMBL5560620 IC50 = 17.5 nM 7.76
CHEMBL5559133 IC50 = 31.0 nM 7.51