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Assay Detail

CHEMBL4028679

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

Binding
Inhibition of Clostridium botulinum BoNT/A light chain using P39 as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by HPLC method
40
Total Activities
20
Compounds Tested
2
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Clostridium botulinum
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Botulinum neurotoxin type A (CHEMBL5192)
Type SINGLE PROTEIN
Organism Clostridium botulinum

Publication

New Steroidal 4-Aminoquinolines Antagonize Botulinum Neurotoxin Serotype A in Mouse Embryonic Stem Cell Derived Motor Neurons in Postintoxication Model.
Konstantinović J, Kiris E, Kota KP, Kugelman-Tonos J, Videnović M, Cazares LH, Terzić Jovanović N, Verbić TŽ, Andjelković B, Duplantier AJ, Bavari S, Šolaja BA.
J Med Chem (2018) 61 : 1595 -1608
PubMed 29385334 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 20 5.31 6.16
Inhibition 20 - -

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4065254 2 6.16
CHEMBL4091673 2 5.82
CHEMBL4064938 2 5.57
CHEMBL4098680 2 5.57
CHEMBL4092916 2 5.52
CHEMBL4061909 2 5.48
CHEMBL4088496 2 5.47
CHEMBL4092633 2 5.35
CHEMBL4076269 2 5.34
CHEMBL4095296 2 5.28
CHEMBL4070794 2 5.24
CHEMBL4080629 2 5.17
CHEMBL4085175 2 5.13
CHEMBL4088919 2 5.06
CHEMBL4079717 2 5.06
CHEMBL4060273 2 5.06
CHEMBL4103981 2 5.03
CHEMBL4095363 2 4.99
CHEMBL4096220 2 4.93
CHEMBL3264511 2 4.91

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4065254 IC50 = 700.0 nM 6.16
CHEMBL4091673 IC50 = 1500.0 nM 5.82
CHEMBL4064938 IC50 = 2700.0 nM 5.57
CHEMBL4098680 IC50 = 2700.0 nM 5.57
CHEMBL4092916 IC50 = 3000.0 nM 5.52
CHEMBL4061909 IC50 = 3300.0 nM 5.48
CHEMBL4088496 IC50 = 3400.0 nM 5.47
CHEMBL4092633 IC50 = 4500.0 nM 5.35
CHEMBL4076269 IC50 = 4600.0 nM 5.34
CHEMBL4095296 IC50 = 5200.0 nM 5.28
CHEMBL4070794 IC50 = 5700.0 nM 5.24
CHEMBL4080629 IC50 = 6800.0 nM 5.17
CHEMBL4085175 IC50 = 7400.0 nM 5.13
CHEMBL4060273 IC50 = 8700.0 nM 5.06
CHEMBL4088919 IC50 = 8800.0 nM 5.06
CHEMBL4079717 IC50 = 8800.0 nM 5.06
CHEMBL4103981 IC50 = 9300.0 nM 5.03
CHEMBL4095363 IC50 = 10200.0 nM 4.99
CHEMBL4096220 IC50 = 11700.0 nM 4.93
CHEMBL3264511 IC50 = 12400.0 nM 4.91
CHEMBL4070794 Inhibition - % -
CHEMBL4091673 Inhibition - % -
CHEMBL4092633 Inhibition - % -
CHEMBL4064938 Inhibition - % -
CHEMBL4065254 Inhibition - % -
CHEMBL4092916 Inhibition - % -
CHEMBL4085175 Inhibition - % -
CHEMBL4095363 Inhibition - % -
CHEMBL4076269 Inhibition - % -
CHEMBL4061909 Inhibition - % -
CHEMBL4088919 Inhibition - % -
CHEMBL4088496 Inhibition - % -
CHEMBL4060273 Inhibition - % -
CHEMBL3264511 Inhibition - % -
CHEMBL4080629 Inhibition - % -
CHEMBL4103981 Inhibition - % -
CHEMBL4098680 Inhibition - % -
CHEMBL4079717 Inhibition - % -
CHEMBL4095296 Inhibition - % -
CHEMBL4096220 Inhibition - % -