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Assay Detail

CHEMBL747856

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

Binding
In vitro displacement of [3H]methylcarbamylcholine from nicotinic acetylcholine receptor in rat brain cortex
31
Total Activities
31
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Tissue Brain
Confidence 4 — Cell-line / Tissue
Curated By Autocuration

Target

Neuronal acetylcholine receptor (CHEMBL2094110)
Type PROTEIN COMPLEX GROUP
Organism Rattus norvegicus

Publication

Improving the nicotinic pharmacophore with a series of (Isoxazole)methylene-1-azacyclic compounds: synthesis, structure-activity relationship, and molecular modeling.
Tønder JE, Hansen JB, Begtrup M, Pettersson I, Rimvall K, Christensen B, Ehrbar U, Olesen PH.
J Med Chem (1999) 42 : 4970 -4980
PubMed 10585207 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 31 7.45 9.52

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL6623 EPIBATIDINE 1 9.52
CHEMBL148107 1 9.49
CHEMBL342567 1 8.78
CHEMBL343458 1 8.49
CHEMBL58416 1 8.41
CHEMBL3 NICOTINE 4.0 1 8.18
CHEMBL291442 1 7.64
CHEMBL291780 1 7.54
CHEMBL144540 1 7.28
CHEMBL274525 ABT-418 1 7.25
CHEMBL148738 1 7.06
CHEMBL147965 1 7.00
CHEMBL148144 1 6.97
CHEMBL60656 1 6.89
CHEMBL358977 1 6.78
CHEMBL342546 1 6.66
CHEMBL344573 1 6.59
CHEMBL293142 1 6.30
CHEMBL148432 1 6.15
CHEMBL144412 1 6.11
CHEMBL147563 1 -
CHEMBL341677 1 -
CHEMBL358535 1 -
CHEMBL145976 1 -
CHEMBL344781 1 -
CHEMBL146176 1 -
CHEMBL149831 1 -
CHEMBL145969 1 -
CHEMBL358576 1 -
CHEMBL356088 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL6623 EPIBATIDINE IC50 = 0.3 nM 9.52
CHEMBL148107 IC50 = 0.32 nM 9.49
CHEMBL342567 IC50 = 1.65 nM 8.78
CHEMBL343458 IC50 = 3.2 nM 8.49
CHEMBL58416 IC50 = 3.9 nM 8.41
CHEMBL3 NICOTINE IC50 = 6.6 nM 8.18
CHEMBL291442 IC50 = 23.0 nM 7.64
CHEMBL291780 IC50 = 29.0 nM 7.54
CHEMBL144540 IC50 = 53.0 nM 7.28
CHEMBL274525 ABT-418 IC50 = 56.0 nM 7.25
CHEMBL148738 IC50 = 87.0 nM 7.06
CHEMBL147965 IC50 = 100.0 nM 7.00
CHEMBL148144 IC50 = 107.0 nM 6.97
CHEMBL60656 IC50 = 130.0 nM 6.89
CHEMBL358977 IC50 = 167.0 nM 6.78
CHEMBL342546 IC50 = 218.0 nM 6.66
CHEMBL344573 IC50 = 255.0 nM 6.59
CHEMBL293142 IC50 = 504.0 nM 6.30
CHEMBL148432 IC50 = 715.0 nM 6.15
CHEMBL144412 IC50 = 783.0 nM 6.11
CHEMBL147563 IC50 > 1000.0 nM -
CHEMBL341677 IC50 > 1000.0 nM -
CHEMBL358535 IC50 > 1000.0 nM -
CHEMBL145976 IC50 > 1000.0 nM -
CHEMBL344781 IC50 > 1000.0 nM -
CHEMBL146176 IC50 > 1000.0 nM -
CHEMBL149831 IC50 > 1000.0 nM -
CHEMBL145969 IC50 > 1000.0 nM -
CHEMBL358576 IC50 > 1000.0 nM -
CHEMBL356088 IC50 > 1000.0 nM -
CHEMBL147397 IC50 > 1000.0 nM -