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Assay Detail

CHEMBL5047301

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

Binding
Binding affinity to human AviTEV6His-tagged KRAS isoform 4B G12D mutant (1 to 169 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by SPR analysis
12
Total Activities
12
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Confidence 0 — Uncurated / Unknown
Curated By Autocuration

Target

Unchecked (CHEMBL612545)
Type UNCHECKED

Publication

Identification of MRTX1133, a Noncovalent, Potent, and Selective KRAS<sup>G12D</sup> Inhibitor.
Wang X, Allen S, Blake JF, Bowcut V, Briere DM, Calinisan A, Dahlke JR, Fell JB, Fischer JP, Gunn RJ, Hallin J, Laguer J, Lawson JD, Medwid J, Newhouse B, Nguyen P, O'Leary JM, Olson P, Pajk S, Rahbaek L, Rodriguez M, Smith CR, Tang TP, Thomas NC, Vanderpool D, Vigers GP, Christensen JG, Marx MA.
J Med Chem (2022) 65 : 3123 -3133
PubMed 34889605 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Kd 12 6.70 9.10

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5080840 1 9.10
CHEMBL5091481 1 8.05
CHEMBL5075989 1 7.14
CHEMBL5093896 1 7.02
CHEMBL5090910 1 6.72
CHEMBL5081048 1 6.70
CHEMBL5080165 1 6.55
CHEMBL5076492 1 6.42
CHEMBL5091167 1 6.38
CHEMBL5072416 1 5.82
CHEMBL5084171 1 5.46
CHEMBL5085395 1 5.06

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5080840 Kd = 0.8 nM 9.10
CHEMBL5091481 Kd = 9.0 nM 8.05
CHEMBL5075989 Kd = 73.0 nM 7.14
CHEMBL5093896 Kd = 96.0 nM 7.02
CHEMBL5090910 Kd = 190.0 nM 6.72
CHEMBL5081048 Kd = 200.0 nM 6.70
CHEMBL5080165 Kd = 280.0 nM 6.55
CHEMBL5076492 Kd = 380.0 nM 6.42
CHEMBL5091167 Kd = 420.0 nM 6.38
CHEMBL5072416 Kd = 1500.0 nM 5.82
CHEMBL5084171 Kd = 3500.0 nM 5.46
CHEMBL5085395 Kd = 8700.0 nM 5.06