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Assay Detail

CHEMBL3047415

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Binding
Inhibition of Mycobacterium tuberculosis InhA
21
Total Activities
21
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

Enoyl-[acyl-carrier-protein] reductase [NADH] (CHEMBL1849)
Type SINGLE PROTEIN
Organism Mycobacterium tuberculosis

Publication

QSAR analysis of B-ring-modified diaryl ether derivatives as a InhA inhibitors
Jain AK, Veerasamy R, Vaidya A, Kashaw S, Mourya VK, Agrawal RK
Med Chem Res (2012) 21 : 145 -151
· DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 21 4.06 4.06

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL264679 1 4.06
CHEMBL264434 1 -
CHEMBL408149 1 -
CHEMBL260399 1 -
CHEMBL405653 1 -
CHEMBL428967 1 -
CHEMBL262343 1 -
CHEMBL262360 1 -
CHEMBL404983 1 -
CHEMBL264176 1 -
CHEMBL264175 1 -
CHEMBL261355 1 -
CHEMBL264417 1 -
CHEMBL264416 1 -
CHEMBL264415 1 -
CHEMBL258932 1 -
CHEMBL258931 1 -
CHEMBL259138 1 -
CHEMBL405655 1 -
CHEMBL264682 1 -
CHEMBL404984 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL264679 IC50 = 87096.36 nM 4.06
CHEMBL264434 IC50 = 16143585.57 nM -
CHEMBL408149 IC50 = 762079.01 nM -
CHEMBL260399 IC50 = 7709034.69 nM -
CHEMBL405653 IC50 = 820351.54 nM -
CHEMBL428967 IC50 = 311171.63 nM -
CHEMBL262343 IC50 = 518800.04 nM -
CHEMBL262360 IC50 = 770903.47 nM -
CHEMBL404983 IC50 = 1725837.89 nM -
CHEMBL264176 IC50 = 645654.23 nM -
CHEMBL264175 IC50 = 18184442.88 nM -
CHEMBL261355 IC50 = 3273406.95 nM -
CHEMBL264417 IC50 = 11117317.27 nM -
CHEMBL264416 IC50 = 20844908.83 nM -
CHEMBL264415 IC50 = 5559042.57 nM -
CHEMBL258932 IC50 = 1541700.45 nM -
CHEMBL258931 IC50 = 122179.97 nM -
CHEMBL259138 IC50 = 6251726.93 nM -
CHEMBL405655 IC50 = 4226686.14 nM -
CHEMBL264682 IC50 = 90928494.39 nM -
CHEMBL404984 IC50 = 918332.6 nM -