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Assay Detail

CHEMBL5686012

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

Binding
Inhibition of N-terminal GST-tagged recombinant human KRAS G12C mutant (1 to 169 residues) expressed in Escherichia coli/N-terminal His10-tagged wild-type recombinant human SOS1 catalytic domain (564 to 1049 residues) expressed in Escherichia coli protein-protein interaction preincubated for 2 mins with KRAS followed by SOS1 addition measured after 60 mins in presence of anti-6His-XL665 by HTRF analysis
ChEMBL ↗
40
Total Activities
37
Compounds Tested
1
Activity Types
2
Assay Parameters

Assay Information

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

Target

SOS1-KRAS (CHEMBL5465393) ↗
Type PROTEIN COMPLEX
Organism Homo sapiens

Publication

Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction.
Hillig RC, Sautier B, Schroeder J, Moosmayer D, Hilpmann A, Stegmann CM, Werbeck ND, Briem H, Boemer U, Weiske J, Badock V, Mastouri J, Petersen K, Siemeister G, Kahmann JD, Wegener D, Böhnke N, Eis K, Graham K, Wortmann L, von Nussbaum F, Bader B.
Proc Natl Acad Sci U S A (2019) 116 : 2551 -2560
PubMed 30683722 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 40 6.57 7.68

Assay Parameters

Parameter Type Value Units Text
EFO_ID EFO_ID - — MONDO:0004992
EFO_TERM EFO_TERM - — cancer

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4535474 BAY-293 — 2 7.68
CHEMBL5687002 — — 1 7.40
CHEMBL5687036 — — 1 7.39
CHEMBL5687052 — — 1 7.34
CHEMBL5687041 — — 1 7.33
CHEMBL5560695 — — 2 7.30
CHEMBL5687017 — — 1 7.29
CHEMBL5686991 — — 1 7.26
CHEMBL5686993 — — 1 7.12
CHEMBL5687027 — — 1 7.10
CHEMBL5687012 — — 1 7.01
CHEMBL5687054 — — 1 7.00
CHEMBL5413061 — — 1 6.89
CHEMBL5428389 — — 1 6.85
CHEMBL5687050 — — 1 6.77
CHEMBL5687045 — — 1 6.77
CHEMBL5686990 — — 1 6.70
CHEMBL5687031 — — 1 6.64
CHEMBL5687047 — — 1 6.55
CHEMBL5412768 — — 1 6.50
CHEMBL5686995 — — 1 6.40
CHEMBL5687032 — — 1 6.40
CHEMBL5687028 — — 1 6.39
CHEMBL5687011 — — 1 6.33
CHEMBL5687015 — — 1 6.23
CHEMBL5687043 — — 1 6.23
CHEMBL5687003 — — 1 6.11
CHEMBL5687030 — — 1 6.10
CHEMBL5687029 — — 1 5.85
CHEMBL5687008 — — 1 5.84

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4535474 BAY-293 IC50 = 21.0 nM 7.68
CHEMBL4535474 BAY-293 IC50 = 21.0 nM 7.68
CHEMBL5687002 — IC50 = 40.0 nM 7.40
CHEMBL5687036 — IC50 = 41.0 nM 7.39
CHEMBL5687052 — IC50 = 46.0 nM 7.34
CHEMBL5687041 — IC50 = 47.0 nM 7.33
CHEMBL5560695 — IC50 = 50.0 nM 7.30
CHEMBL5560695 — IC50 = 50.0 nM 7.30
CHEMBL5687017 — IC50 = 51.0 nM 7.29
CHEMBL5686991 — IC50 = 55.0 nM 7.26
CHEMBL5686993 — IC50 = 76.0 nM 7.12
CHEMBL5687027 — IC50 = 80.0 nM 7.10
CHEMBL5687012 — IC50 = 98.0 nM 7.01
CHEMBL5687054 — IC50 = 100.0 nM 7.00
CHEMBL5413061 — IC50 = 130.0 nM 6.89
CHEMBL5428389 — IC50 = 140.0 nM 6.85
CHEMBL5687050 — IC50 = 170.0 nM 6.77
CHEMBL5687045 — IC50 = 170.0 nM 6.77
CHEMBL5686990 — IC50 = 200.0 nM 6.70
CHEMBL5687031 — IC50 = 230.0 nM 6.64
CHEMBL5687047 — IC50 = 280.0 nM 6.55
CHEMBL5412768 — IC50 = 320.0 nM 6.50
CHEMBL5686995 — IC50 = 400.0 nM 6.40
CHEMBL5687032 — IC50 = 400.0 nM 6.40
CHEMBL5687028 — IC50 = 410.0 nM 6.39
CHEMBL5687011 — IC50 = 470.0 nM 6.33
CHEMBL5687015 — IC50 = 590.0 nM 6.23
CHEMBL5687043 — IC50 = 590.0 nM 6.23
CHEMBL5687003 — IC50 = 780.0 nM 6.11
CHEMBL5687030 — IC50 = 800.0 nM 6.10
CHEMBL5687029 — IC50 = 1410.0 nM 5.85
CHEMBL5687008 — IC50 = 1450.0 nM 5.84
CHEMBL5687048 — IC50 = 2160.0 nM 5.67
CHEMBL4520788 BAY-294 IC50 = 2340.0 nM 5.63
CHEMBL4520788 BAY-294 IC50 = 2340.0 nM 5.63
CHEMBL5687056 — IC50 = 2590.0 nM 5.59
CHEMBL5687000 — IC50 = 3150.0 nM 5.50
CHEMBL5687013 — IC50 = 3210.0 nM 5.49
CHEMBL5686994 — IC50 = 12200.0 nM 4.91
CHEMBL5687033 — IC50 > 20000.0 nM -