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Assay Detail

CHEMBL2065090

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

Binding
Binding affinity to human alpha-synuclein expressed in Escherichia coli BL21 (DE3) cells after 1 hr by thioflavin T fluorescence assay
38
Total Activities
19
Compounds Tested
2
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type BL21-DE3
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Alpha-synuclein (CHEMBL6152)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Synthesis and in vitro evaluation of α-synuclein ligands.
Yu L, Cui J, Padakanti PK, Engel L, Bagchi DP, Kotzbauer PT, Tu Z.
Bioorg Med Chem (2012) 20 : 4625 -4634
PubMed 22789706 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 19 7.05 7.49
IC50 19 5.54 6.87

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL2063787 2 7.49
CHEMBL2063797 2 7.31
CHEMBL2063798 2 7.24
CHEMBL2063788 2 7.12
CHEMBL2063789 2 6.97
CHEMBL1976750 2 6.93
CHEMBL2063785 2 6.91
CHEMBL2063786 2 6.46
CHEMBL2062539 2 5.64
CHEMBL2063792 2 5.48
CHEMBL2063791 2 5.41
CHEMBL2063793 2 4.97
CHEMBL2063794 2 4.85
CHEMBL3142202 2 4.80
CHEMBL2063795 2 4.63
CHEMBL1629795 2 4.58
CHEMBL828 PHENOTHIAZINE 2.0 2 4.58
CHEMBL2063796 2 4.49
CHEMBL2063790 2 4.43

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL2063787 Ki = 32.1 nM 7.49
CHEMBL2063797 Ki = 49.0 nM 7.31
CHEMBL2063798 Ki = 57.9 nM 7.24
CHEMBL2063788 Ki = 75.3 nM 7.12
CHEMBL2063789 Ki = 106.0 nM 6.97
CHEMBL1976750 Ki = 116.5 nM 6.93
CHEMBL2063785 Ki = 121.8 nM 6.91
CHEMBL2063787 IC50 = 133.7 nM 6.87
CHEMBL2063797 IC50 = 203.9 nM 6.69
CHEMBL2063798 IC50 = 241.3 nM 6.62
CHEMBL2063788 IC50 = 313.8 nM 6.50
CHEMBL2063786 Ki = 346.0 nM 6.46
CHEMBL2063789 IC50 = 441.5 nM 6.36
CHEMBL1976750 IC50 = 485.0 nM 6.31
CHEMBL2063785 IC50 = 507.1 nM 6.29
CHEMBL2063786 IC50 = 1440.0 nM 5.84
CHEMBL2062539 IC50 = 2286.0 nM 5.64
CHEMBL2063792 IC50 = 3329.0 nM 5.48
CHEMBL2063791 IC50 = 3928.0 nM 5.41
CHEMBL2063793 IC50 = 10736.0 nM 4.97
CHEMBL2063794 IC50 = 14031.0 nM 4.85
CHEMBL3142202 IC50 = 16000.0 nM 4.80
CHEMBL2063795 IC50 = 23491.0 nM 4.63
CHEMBL828 PHENOTHIAZINE IC50 = 26000.0 nM 4.58
CHEMBL1629795 IC50 = 26000.0 nM 4.58
CHEMBL2063796 IC50 = 32074.0 nM 4.49
CHEMBL2063790 IC50 = 37327.0 nM 4.43
CHEMBL1629795 Ki > 500.0 nM -
CHEMBL3142202 Ki > 500.0 nM -
CHEMBL2063790 Ki > 500.0 nM -
CHEMBL2063791 Ki > 500.0 nM -
CHEMBL2063792 Ki > 500.0 nM -
CHEMBL2063793 Ki > 500.0 nM -
CHEMBL2063794 Ki > 500.0 nM -
CHEMBL2063795 Ki > 500.0 nM -
CHEMBL2063796 Ki > 500.0 nM -
CHEMBL2062539 Ki > 500.0 nM -
CHEMBL828 PHENOTHIAZINE Ki > 500.0 nM -