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Assay Detail

CHEMBL1251540

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

Binding
Inhibition of rabbit sarcoplasmic reticulum calcium ATPase by ATP regeneration assay
20
Total Activities
20
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Oryctolagus cuniculus
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (CHEMBL4693)
Type SINGLE PROTEIN
Organism Oryctolagus cuniculus

Publication

Elucidation of the topography of the thapsigargin binding site in the sarco-endoplasmic calcium ATPase.
Skytte DM, Møller JV, Liu H, Nielsen HØ, Svenningsen LE, Jensen CM, Olsen CE, Christensen SB.
Bioorg Med Chem (2010) 18 : 5634 -5646
PubMed 20615710 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 20 8.13 9.70

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL96926 THAPSIGARGIN 1 9.70
CHEMBL1253591 1 9.10
CHEMBL1253563 1 8.80
CHEMBL1253557 1 8.60
CHEMBL1253594 1 8.52
CHEMBL1253592 1 8.05
CHEMBL1253562 DEBUTANOYLTHAPSIGARGIN 1 8.00
CHEMBL1253589 1 7.96
CHEMBL1253559 1 7.81
CHEMBL1253558 1 7.80
CHEMBL1253593 1 7.75
CHEMBL1253588 1 7.72
CHEMBL1253556 1 7.70
CHEMBL1253555 1 7.70
CHEMBL1253561 1 7.57
CHEMBL1253595 1 7.36
CHEMBL1253596 1 -
CHEMBL1253590 1 -
CHEMBL1253587 1 -
CHEMBL1253560 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL96926 THAPSIGARGIN IC50 = 0.2 nM 9.70
CHEMBL1253591 IC50 = 0.8 nM 9.10
CHEMBL1253563 IC50 = 1.6 nM 8.80
CHEMBL1253557 IC50 = 2.5 nM 8.60
CHEMBL1253594 IC50 = 3.0 nM 8.52
CHEMBL1253592 IC50 = 9.0 nM 8.05
CHEMBL1253562 DEBUTANOYLTHAPSIGARGIN IC50 = 10.0 nM 8.00
CHEMBL1253589 IC50 = 11.1 nM 7.96
CHEMBL1253559 IC50 = 15.6 nM 7.81
CHEMBL1253558 IC50 = 16.0 nM 7.80
CHEMBL1253593 IC50 = 18.0 nM 7.75
CHEMBL1253588 IC50 = 19.0 nM 7.72
CHEMBL1253556 IC50 = 20.0 nM 7.70
CHEMBL1253555 IC50 = 20.0 nM 7.70
CHEMBL1253561 IC50 = 27.0 nM 7.57
CHEMBL1253595 IC50 = 44.0 nM 7.36
CHEMBL1253596 IC50 > 70.0 nM -
CHEMBL1253590 IC50 > 70.0 nM -
CHEMBL1253587 IC50 > 70.0 nM -
CHEMBL1253560 IC50 > 70.0 nM -