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Assay Detail

CHEMBL4053085

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

Binding
Inhibition of ATP synthase in Mycobacterium smegmatis inverted membrane vesicles using NADH as substrate incubated for 60 mins by luciferin-luciferase reaction based bioluminescence assay
33
Total Activities
33
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

Unchecked (CHEMBL612545)
Type UNCHECKED

Publication

Discovery of Imidazo[1,2-a]pyridine Ethers and Squaramides as Selective and Potent Inhibitors of Mycobacterial Adenosine Triphosphate (ATP) Synthesis.
Tantry SJ, Markad SD, Shinde V, Bhat J, Balakrishnan G, Gupta AK, Ambady A, Raichurkar A, Kedari C, Sharma S, Mudugal NV, Narayan A, Naveen Kumar CN, Nanduri R, Bharath S, Reddy J, Panduga V, Prabhakar KR, Kandaswamy K, Saralaya R, Kaur P, Dinesh N, Guptha S, Rich K, Murray D, Plant H, Preston M, Ashton H, Plant D, Walsh J, Alcock P, Naylor K, Collier M, Whiteaker J, McLaughlin RE, Mallya M, Panda M, Rudrapatna S, Ramachandran V, Shandil R, Sambandamurthy VK, Mdluli K, Cooper CB, Rubin H, Yano T, Iyer P, Narayanan S, Kavanagh S, Mukherjee K, Balasubramanian V, Hosagrahara VP, Solapure S, Ravishankar S, Hameed P S.
J Med Chem (2017) 60 : 1379 -1399
PubMed 28075132 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 33 6.45 8.30

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4071306 1 8.30
CHEMBL4069282 1 7.70
CHEMBL4098974 1 7.52
CHEMBL4101131 1 7.52
CHEMBL4060601 1 7.40
CHEMBL4096519 1 7.30
CHEMBL4086215 1 7.30
CHEMBL4072726 1 7.22
CHEMBL4089090 1 7.22
CHEMBL4060124 1 7.16
CHEMBL4104123 1 7.10
CHEMBL4088823 1 7.10
CHEMBL4096794 1 7.05
CHEMBL4070305 1 6.89
CHEMBL4094369 1 6.80
CHEMBL4078337 1 6.68
CHEMBL4080795 1 6.52
CHEMBL4088671 1 6.40
CHEMBL4096383 1 6.16
CHEMBL4070947 1 6.11
CHEMBL4066870 1 5.25
CHEMBL4078770 1 5.19
CHEMBL4105022 1 5.14
CHEMBL4072269 1 5.08
CHEMBL4078294 1 5.02
CHEMBL4086623 1 4.72
CHEMBL4104517 1 4.44
CHEMBL4093027 1 4.18
CHEMBL4067879 1 -
CHEMBL4069064 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4071306 IC50 = 5.0 nM 8.30
CHEMBL4069282 IC50 = 20.0 nM 7.70
CHEMBL4098974 IC50 = 30.0 nM 7.52
CHEMBL4101131 IC50 = 30.0 nM 7.52
CHEMBL4060601 IC50 = 40.0 nM 7.40
CHEMBL4096519 IC50 = 50.0 nM 7.30
CHEMBL4086215 IC50 = 50.0 nM 7.30
CHEMBL4072726 IC50 = 60.0 nM 7.22
CHEMBL4089090 IC50 = 60.0 nM 7.22
CHEMBL4060124 IC50 = 70.0 nM 7.16
CHEMBL4104123 IC50 = 80.0 nM 7.10
CHEMBL4088823 IC50 = 80.0 nM 7.10
CHEMBL4096794 IC50 = 90.0 nM 7.05
CHEMBL4070305 IC50 = 130.0 nM 6.89
CHEMBL4094369 IC50 = 160.0 nM 6.80
CHEMBL4078337 IC50 = 210.0 nM 6.68
CHEMBL4080795 IC50 = 300.0 nM 6.52
CHEMBL4088671 IC50 = 400.0 nM 6.40
CHEMBL4096383 IC50 = 700.0 nM 6.16
CHEMBL4070947 IC50 = 770.0 nM 6.11
CHEMBL4066870 IC50 = 5600.0 nM 5.25
CHEMBL4078770 IC50 = 6400.0 nM 5.19
CHEMBL4105022 IC50 = 7200.0 nM 5.14
CHEMBL4072269 IC50 = 8400.0 nM 5.08
CHEMBL4078294 IC50 = 9500.0 nM 5.02
CHEMBL4086623 IC50 = 18900.0 nM 4.72
CHEMBL4104517 IC50 = 36100.0 nM 4.44
CHEMBL4093027 IC50 = 66600.0 nM 4.18
CHEMBL4067879 IC50 < 20.0 nM -
CHEMBL4069064 IC50 > 100000.0 nM -
CHEMBL4097303 IC50 > 25000.0 nM -
CHEMBL4080941 IC50 > 100000.0 nM -
CHEMBL4091232 IC50 < 20.0 nM -