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Assay Detail

CHEMBL4236904

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

Binding
Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay
30
Total Activities
29
Compounds Tested
2
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Confidence 7 — Homologous single protein target
Curated By Intermediate

Target

Integrin alpha-V/beta-6 (CHEMBL2111416)
Type PROTEIN COMPLEX
Organism Homo sapiens

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
pKi 15 - -
Ki 15 10.28 10.70

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4244784 2 10.70
CHEMBL4242263 1 10.50
CHEMBL4249172 1 10.40
CHEMBL4249629 1 10.40
CHEMBL4241824 GSK-3008348 FREE BASE 1.0 1 10.40
CHEMBL4241584 1 10.40
CHEMBL4237919 1 10.30
CHEMBL4238909 1 10.20
CHEMBL4239085 1 10.20
CHEMBL4243367 1 10.20
CHEMBL4237868 1 10.20
CHEMBL4242635 1 10.10
CHEMBL4248589 1 10.10
CHEMBL4247149 1 10.10
CHEMBL4251444 1 10.00
CHEMBL4246111 1 -
CHEMBL4243686 1 -
CHEMBL4250148 1 -
CHEMBL4240155 1 -
CHEMBL4239588 1 -
CHEMBL4245829 1 -
CHEMBL4245368 1 -
CHEMBL4247617 1 -
CHEMBL4237498 1 -
CHEMBL4242732 1 -
CHEMBL4248953 1 -
CHEMBL4238556 1 -
CHEMBL4238482 1 -
CHEMBL4242175 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4244784 Ki = 0.01995 nM 10.70
CHEMBL4242263 Ki = 0.03162 nM 10.50
CHEMBL4249172 Ki = 0.03981 nM 10.40
CHEMBL4249629 Ki = 0.03981 nM 10.40
CHEMBL4241584 Ki = 0.03981 nM 10.40
CHEMBL4241824 GSK-3008348 FREE BASE Ki = 0.03981 nM 10.40
CHEMBL4237919 Ki = 0.05012 nM 10.30
CHEMBL4237868 Ki = 0.0631 nM 10.20
CHEMBL4239085 Ki = 0.0631 nM 10.20
CHEMBL4238909 Ki = 0.0631 nM 10.20
CHEMBL4243367 Ki = 0.0631 nM 10.20
CHEMBL4242635 Ki = 0.07943 nM 10.10
CHEMBL4247149 Ki = 0.07943 nM 10.10
CHEMBL4248589 Ki = 0.07943 nM 10.10
CHEMBL4251444 Ki = 0.1 nM 10.00
CHEMBL4239588 pKi - -
CHEMBL4240155 pKi - -
CHEMBL4250148 pKi - -
CHEMBL4246111 pKi - -
CHEMBL4243686 pKi - -
CHEMBL4242175 pKi - -
CHEMBL4247617 pKi - -
CHEMBL4245829 pKi - -
CHEMBL4248953 pKi - -
CHEMBL4237498 pKi - -
CHEMBL4242732 pKi - -
CHEMBL4244784 pKi - -
CHEMBL4238482 pKi - -
CHEMBL4238556 pKi - -
CHEMBL4245368 pKi - -