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Assay Detail

CHEMBL1787641

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

Binding
Inhibition of human ABL T315I mutant using [EAIYAAPFAKKK] peptide substrate after 2 hrs by TR-FRET assay
19
Total Activities
19
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Tyrosine-protein kinase ABL1 (CHEMBL1862)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Discovery of 5-(arenethynyl) hetero-monocyclic derivatives as potent inhibitors of BCR-ABL including the T315I gatekeeper mutant.
Thomas M, Huang WS, Wen D, Zhu X, Wang Y, Metcalf CA, Liu S, Chen I, Romero J, Zou D, Sundaramoorthi R, Li F, Qi J, Cai L, Zhou T, Commodore L, Xu Q, Keats J, Wang F, Wardwell S, Ning Y, Snodgrass JT, Broudy MI, Russian K, Iuliucci J, Rivera VM, Sawyer TK, Dalgarno DC, Clackson T, Shakespeare WC.
Bioorg Med Chem Lett (2011) 21 : 3743 -3748
PubMed 21561767 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 19 6.86 7.75

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL1784635 1 7.75
CHEMBL1784634 1 7.60
CHEMBL1784641 1 7.57
CHEMBL1236871 1 7.44
CHEMBL1171837 PONATINIB 4.0 1 7.40
CHEMBL1784637 1 7.22
CHEMBL1784628 1 6.98
CHEMBL1784639 1 6.97
CHEMBL1784627 1 6.92
CHEMBL1784625 1 6.91
CHEMBL1784640 1 6.86
CHEMBL1784638 1 6.85
CHEMBL1784636 1 6.52
CHEMBL1784629 1 6.49
CHEMBL1784633 1 6.44
CHEMBL1784626 1 6.36
CHEMBL1784630 1 6.34
CHEMBL1784632 1 6.26
CHEMBL1784631 1 5.43

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL1784635 IC50 = 18.0 nM 7.75
CHEMBL1784634 IC50 = 25.0 nM 7.60
CHEMBL1784641 IC50 = 27.0 nM 7.57
CHEMBL1236871 IC50 = 36.0 nM 7.44
CHEMBL1171837 PONATINIB IC50 = 40.0 nM 7.40
CHEMBL1784637 IC50 = 60.2 nM 7.22
CHEMBL1784628 IC50 = 104.0 nM 6.98
CHEMBL1784639 IC50 = 106.0 nM 6.97
CHEMBL1784627 IC50 = 121.0 nM 6.92
CHEMBL1784625 IC50 = 123.0 nM 6.91
CHEMBL1784640 IC50 = 139.0 nM 6.86
CHEMBL1784638 IC50 = 140.0 nM 6.85
CHEMBL1784636 IC50 = 301.0 nM 6.52
CHEMBL1784629 IC50 = 321.0 nM 6.49
CHEMBL1784633 IC50 = 362.0 nM 6.44
CHEMBL1784626 IC50 = 435.0 nM 6.36
CHEMBL1784630 IC50 = 457.0 nM 6.34
CHEMBL1784632 IC50 = 550.0 nM 6.26
CHEMBL1784631 IC50 = 3717.0 nM 5.43