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Assay Detail

CHEMBL907300

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

Binding
Inhibition of integrin alphavbeta3 mediated cell adhesion of human M21 cells to vitronectin
26
Total Activities
26
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type M21
Confidence 7 — Homologous single protein target
Curated By Autocuration

Target

Integrin alpha-V/beta-3 (CHEMBL1907598)
Type PROTEIN COMPLEX
Organism Homo sapiens

Publication

Discovery of small molecule inhibitors of integrin alphavbeta3 through structure-based virtual screening.
Zhou Y, Peng H, Ji Q, Qi J, Zhu Z, Yang C.
Bioorg Med Chem Lett (2006) 16 : 5878 -5882
PubMed 16982193 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 26 4.50 6.22

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL411941 CYCLORGDFV 1 6.22
CHEMBL40929 1 4.47
CHEMBL41433 1 4.42
CHEMBL220928 1 4.40
CHEMBL221248 1 4.27
CHEMBL220979 1 4.17
CHEMBL185802 1 4.06
CHEMBL222122 1 4.01
CHEMBL13791 PHENYL BIGUANIDE 1 -
CHEMBL221310 1 -
CHEMBL42752 1 -
CHEMBL375650 1 -
CHEMBL221309 1 -
CHEMBL221253 1 -
CHEMBL375434 1 -
CHEMBL13790 1 -
CHEMBL221306 1 -
CHEMBL840 4-CHLOROPHENYLBIGUANIDE 1 -
CHEMBL219484 1 -
CHEMBL219378 1 -
CHEMBL386940 1 -
CHEMBL220869 1 -
CHEMBL385111 1 -
CHEMBL386939 1 -
CHEMBL376494 1 -
CHEMBL221952 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL411941 CYCLORGDFV IC50 = 600.0 nM 6.22
CHEMBL40929 IC50 = 33500.0 nM 4.47
CHEMBL41433 IC50 = 38500.0 nM 4.42
CHEMBL220928 IC50 = 39500.0 nM 4.40
CHEMBL221248 IC50 = 53500.0 nM 4.27
CHEMBL220979 IC50 = 66900.0 nM 4.17
CHEMBL185802 IC50 = 87300.0 nM 4.06
CHEMBL222122 IC50 = 97300.0 nM 4.01
CHEMBL13791 PHENYL BIGUANIDE IC50 > 200000.0 nM -
CHEMBL221310 IC50 > 200000.0 nM -
CHEMBL42752 IC50 > 200000.0 nM -
CHEMBL375650 IC50 > 200000.0 nM -
CHEMBL221309 IC50 > 200000.0 nM -
CHEMBL221253 IC50 > 200000.0 nM -
CHEMBL375434 IC50 > 200000.0 nM -
CHEMBL13790 IC50 = 190600.0 nM -
CHEMBL221306 IC50 = 178100.0 nM -
CHEMBL840 4-CHLOROPHENYLBIGUANIDE IC50 = 148600.0 nM -
CHEMBL219484 IC50 = 127200.0 nM -
CHEMBL219378 IC50 = 101400.0 nM -
CHEMBL386940 IC50 = 162100.0 nM -
CHEMBL220869 IC50 = 137000.0 nM -
CHEMBL385111 IC50 = 132000.0 nM -
CHEMBL386939 IC50 = 143100.0 nM -
CHEMBL376494 IC50 = 180400.0 nM -
CHEMBL221952 IC50 = 100200.0 nM -