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Assay Detail

CHEMBL4236906

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

Binding
Inhibition of human ERG expressed in HEK293 cells by Q-patch assay
30
Total Activities
29
Compounds Tested
2
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type HEK293
Confidence 9 — Direct single protein target
Curated By Autocuration

Publication

Discovery of ( S)-3-(3-(3,5-Dimethyl-1 H-pyrazol-1-yl)phenyl)-4-(( R)-3-(2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl)pyrrolidin-1-yl)butanoic Acid, a Nonpeptidic αvβ6 Integrin Inhibitor for the Inhaled Treatment of Idiopathic Pulmonary Fibrosis.
Procopiou PA, Anderson NA, Barrett J, Barrett TN, Crawford MHJ, Fallon BJ, Hancock AP, Le J, Lemma S, Marshall RP, Morrell J, Pritchard JM, Rowedder JE, Saklatvala P, Slack RJ, Sollis SL, Suckling CJ, Thorp LR, Vitulli G, Macdonald SJF.
J Med Chem (2018) 61 : 8417 -8443
PubMed 30215258 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 23 4.97 6.10
pIC50 7 - -

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4251444 1 6.10
CHEMBL4242635 1 5.70
CHEMBL4242732 1 5.10
CHEMBL4247149 1 5.00
CHEMBL4241824 GSK-3008348 FREE BASE 1.0 1 4.90
CHEMBL4250148 1 4.90
CHEMBL4244784 2 4.90
CHEMBL4249172 1 4.80
CHEMBL4243367 1 4.60
CHEMBL4240155 1 4.60
CHEMBL4239085 1 4.50
CHEMBL4238482 1 -
CHEMBL4238909 1 -
CHEMBL4248953 1 -
CHEMBL4247617 1 -
CHEMBL4239588 1 -
CHEMBL4246111 1 -
CHEMBL4243686 1 -
CHEMBL4237868 1 -
CHEMBL4237919 1 -
CHEMBL4241584 1 -
CHEMBL4245829 1 -
CHEMBL4245368 1 -
CHEMBL4249629 1 -
CHEMBL4237498 1 -
CHEMBL4242175 1 -
CHEMBL4248589 1 -
CHEMBL4242263 1 -
CHEMBL4238556 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4251444 IC50 = 794.33 nM 6.10
CHEMBL4242635 IC50 = 1995.26 nM 5.70
CHEMBL4242732 IC50 = 7943.28 nM 5.10
CHEMBL4247149 IC50 = 10000.0 nM 5.00
CHEMBL4241824 GSK-3008348 FREE BASE IC50 = 12589.25 nM 4.90
CHEMBL4250148 IC50 = 12589.25 nM 4.90
CHEMBL4244784 IC50 = 12589.25 nM 4.90
CHEMBL4249172 IC50 = 15848.93 nM 4.80
CHEMBL4243367 IC50 = 25118.86 nM 4.60
CHEMBL4240155 IC50 = 25118.86 nM 4.60
CHEMBL4244784 IC50 = 31622.78 nM 4.50
CHEMBL4239085 IC50 = 31622.78 nM 4.50
CHEMBL4238482 pIC50 - -
CHEMBL4238909 IC50 > 31622.78 nM -
CHEMBL4248953 pIC50 - -
CHEMBL4247617 pIC50 - -
CHEMBL4239588 pIC50 - -
CHEMBL4246111 IC50 > 31622.78 nM -
CHEMBL4243686 IC50 > 31622.78 nM -
CHEMBL4237868 IC50 > 31622.78 nM -
CHEMBL4237919 IC50 > 31622.78 nM -
CHEMBL4241584 IC50 > 31622.78 nM -
CHEMBL4245829 IC50 > 31622.78 nM -
CHEMBL4245368 IC50 > 31622.78 nM -
CHEMBL4249629 IC50 > 31622.78 nM -
CHEMBL4237498 IC50 > 31622.78 nM -
CHEMBL4242175 pIC50 - -
CHEMBL4248589 pIC50 - -
CHEMBL4238556 pIC50 - -
CHEMBL4242263 IC50 > 31622.78 nM -