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Assay Detail

CHEMBL677753

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

Binding
In vitro inhibition of estrone sulfatase.
18
Total Activities
18
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Confidence 8 — Homologous single protein target
Curated By Expert

Target

Steryl-sulfatase (CHEMBL3559)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

The mechanism of the irreversible inhibition of estrone sulfatase (ES) through the consideration of a range of methane- and amino-sulfonate-based compounds.
Ahmed S, James K, Owen CP, Patel CK, Sampson L.
Bioorg Med Chem Lett (2002) 12 : 1279 -1282
PubMed 11965370 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 18 5.61 6.30

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL122708 EMATE 1 6.30
CHEMBL11185 1 4.92
CHEMBL287279 1 -
CHEMBL23350 1 -
CHEMBL24063 1 -
CHEMBL24210 1 -
CHEMBL282717 1 -
CHEMBL23067 1 -
CHEMBL283121 1 -
CHEMBL24119 1 -
CHEMBL283560 1 -
CHEMBL23864 1 -
CHEMBL23865 1 -
CHEMBL23258 1 -
CHEMBL23305 1 -
CHEMBL24120 1 -
CHEMBL23306 1 -
CHEMBL24259 PHENYLSULFAMATE 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL122708 EMATE IC50 = 500.0 nM 6.30
CHEMBL11185 IC50 = 12000.0 nM 4.92
CHEMBL287279 IC50 = 2089000.0 nM -
CHEMBL23350 IC50 = 1585000.0 nM -
CHEMBL24063 IC50 = 120000.0 nM -
CHEMBL24210 IC50 > 10000000.0 nM -
CHEMBL282717 IC50 = 537000.0 nM -
CHEMBL23067 IC50 = 750000.0 nM -
CHEMBL283121 IC50 = 912000.0 nM -
CHEMBL24119 IC50 = 300000.0 nM -
CHEMBL283560 IC50 = 120000.0 nM -
CHEMBL23864 IC50 = 2089000.0 nM -
CHEMBL23865 IC50 = 537000.0 nM -
CHEMBL23258 IC50 = 330000.0 nM -
CHEMBL23305 IC50 = 257000.0 nM -
CHEMBL24120 IC50 = 560000.0 nM -
CHEMBL23306 IC50 = 191000.0 nM -
CHEMBL24259 PHENYLSULFAMATE IC50 > 10000000.0 nM -