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Assay Detail

CHEMBL5738512

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Binding
KRas G12D Binding Assay: Table 2: The ability of a compound to bind to KRAS G12D was measured using a TR-FRET displacement assay. Biotinylated GDP-loaded recombinant human KRAS G12D (corresponding to amino acids 1:169, produced at Array BioPharma) was incubated with a custom-made Cy5 labelled tracer, europium labelled streptavidin and compound (2% DMSO final) in buffer (50 mM HEPES [pH 7.5], 5mM MgCl2, 0.005% Tween-20 & 1 mM DTT). After a 60 minute incubation at 22° C., the reaction was measured using a PerkinElmer EnVision multimode plate reader via TR-FRET dual wavelength detection, and the percent of control (POC) calculated using a ratiometric emission factor. 100 POC is determined using no test compound and 0 POC is determined using a concentration of control compound that completely inhibits binding of the tracer to KRAS. The POC values were fit to a 4-parameter logistic curve and the IC50 value was determined as the concentration where the curve crosses 50 POC.
2205
Total Activities
449
Compounds Tested
3
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Confidence 8 — Homologous single protein target
Curated By Autocuration

Target

GTPase KRas (CHEMBL2189121)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

KRas G12D inhibitors
(2022)

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 735 6.68 10.00
kon 735 - -
k_off 735 - -

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5741049 6 10.00
CHEMBL4857438 6 9.70
CHEMBL4863339 6 9.52
CHEMBL4876040 6 9.40
CHEMBL4858364 MRTX-1133 1.0 6 9.40
CHEMBL4859236 6 9.40
CHEMBL5905084 6 9.40
CHEMBL5776467 6 9.40
CHEMBL5996049 6 9.40
CHEMBL4857719 6 9.30
CHEMBL5856093 12 9.30
CHEMBL5948638 6 9.30
CHEMBL5187854 6 9.30
CHEMBL5829922 6 9.30
CHEMBL5840711 6 9.22
CHEMBL4867851 6 9.22
CHEMBL4876243 6 9.22
CHEMBL4874297 6 9.22
CHEMBL5863463 12 9.15
CHEMBL5953832 12 9.15
CHEMBL5932673 6 9.15
CHEMBL5883487 6 9.15
CHEMBL5889261 6 9.15
CHEMBL5979136 6 9.15
CHEMBL6028889 6 9.15
CHEMBL4863371 6 9.10
CHEMBL6048506 6 9.10
CHEMBL5977600 6 9.10
CHEMBL5881670 6 9.05
CHEMBL5862570 6 9.05

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5741049 IC50 = 0.1 nM 10.00
CHEMBL4857438 IC50 = 0.2 nM 9.70
CHEMBL4863339 IC50 = 0.3 nM 9.52
CHEMBL4858364 MRTX-1133 IC50 = 0.4 nM 9.40
CHEMBL5996049 IC50 = 0.4 nM 9.40
CHEMBL4876040 IC50 = 0.4 nM 9.40
CHEMBL5905084 IC50 = 0.4 nM 9.40
CHEMBL5776467 IC50 = 0.4 nM 9.40
CHEMBL4859236 IC50 = 0.4 nM 9.40
CHEMBL4857719 IC50 = 0.5 nM 9.30
CHEMBL5187854 IC50 = 0.5 nM 9.30
CHEMBL5829922 IC50 = 0.5 nM 9.30
CHEMBL5856093 IC50 = 0.5 nM 9.30
CHEMBL5948638 IC50 = 0.5 nM 9.30
CHEMBL4876243 IC50 = 0.6 nM 9.22
CHEMBL4867851 IC50 = 0.6 nM 9.22
CHEMBL4874297 IC50 = 0.6 nM 9.22
CHEMBL5840711 IC50 = 0.6 nM 9.22
CHEMBL5979136 IC50 = 0.7 nM 9.15
CHEMBL5863463 IC50 = 0.7 nM 9.15
CHEMBL5889261 IC50 = 0.7 nM 9.15
CHEMBL6028889 IC50 = 0.7 nM 9.15
CHEMBL5883487 IC50 = 0.7 nM 9.15
CHEMBL5856093 IC50 = 0.7 nM 9.15
CHEMBL5932673 IC50 = 0.7 nM 9.15
CHEMBL5953832 IC50 = 0.7 nM 9.15
CHEMBL5977600 IC50 = 0.8 nM 9.10
CHEMBL4863371 IC50 = 0.8 nM 9.10
CHEMBL4876040 IC50 = 0.8 nM 9.10
CHEMBL4858364 MRTX-1133 IC50 = 0.8 nM 9.10
CHEMBL6048506 IC50 = 0.8 nM 9.10
CHEMBL5985758 IC50 = 0.9 nM 9.05
CHEMBL5862570 IC50 = 0.9 nM 9.05
CHEMBL5828205 IC50 = 0.9 nM 9.05
CHEMBL5877093 IC50 = 0.9 nM 9.05
CHEMBL5881670 IC50 = 0.9 nM 9.05
CHEMBL5912568 IC50 = 1.0 nM 9.00
CHEMBL5762802 IC50 = 1.0 nM 9.00
CHEMBL5953832 IC50 = 1.0 nM 9.00
CHEMBL5897986 IC50 = 1.0 nM 9.00
CHEMBL5815995 IC50 = 1.0 nM 9.00
CHEMBL4874297 IC50 = 1.0 nM 9.00
CHEMBL5863463 IC50 = 1.1 nM 8.96
CHEMBL5897850 IC50 = 1.2 nM 8.92
CHEMBL5798610 IC50 = 1.2 nM 8.92
CHEMBL5923638 IC50 = 1.4 nM 8.85
CHEMBL5860569 IC50 = 1.4 nM 8.85
CHEMBL5873176 IC50 = 1.5 nM 8.82
CHEMBL5982761 IC50 = 1.6 nM 8.80
CHEMBL5798369 IC50 = 1.6 nM 8.80