Reaction Details | |||
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Target | Mitogen-activated protein kinase kinase kinase kinase 1 | ||
Ligand | BDBM598177 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | TBD | ||
Ki | <0.013±n/a nM | ||
Citation | Liang, J; Mendonca, RV; Siu, M; Tellis, J; Wang, W; Wei, B; Chan, B; Choo, EF; Drobnick, J; Gazzard, LJ; Heffron, T 8-aminoisoquinoline compounds and uses thereof US Patent US11612606 Publication Date 3/28/2023 | ||
More Info.: | Get all data from this article, Assay Method | ||
Mitogen-activated protein kinase kinase kinase kinase 1 | |||
Name: | Mitogen-activated protein kinase kinase kinase kinase 1 | ||
Synonyms: | HPK1 | M4K1_HUMAN | MAP4K1 | ||
Type: | PROTEIN | ||
Mol. Mass.: | 91316.07 | ||
Organism: | Homo sapiens (Human) | ||
Description: | ChEMBL_586597 | ||
Residue: | 833 | ||
Sequence: |
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BDBM598177 | |||
n/a | |||
Name | BDBM598177 | ||
Synonyms: | (1s,3s)-3-Methoxy-3-methylcyclobutyl | US11612606, Compound 528a | ||
Type | Small organic molecule | ||
Emp. Form. | C24H26FN5O4 | ||
Mol. Mass. | 467.4927 | ||
SMILES | CO[C@]1(C)C[C@@H](C1)OC(=O)Nc1cc2cc(c(F)c(N)c2cn1)-c1cnc2OCCNc2c1C |r,wU:5.7,2.1,wD:2.2,(-6.79,-5.5,;-7.56,-4.17,;-6.79,-2.84,;-6.02,-4.17,;-5.7,-1.75,;-6.79,-.66,;-7.88,-1.75,;-6.79,.88,;-5.46,1.65,;-5.46,3.19,;-4.12,.88,;-2.79,1.65,;-1.46,.88,;-.12,1.65,;1.21,.88,;2.55,1.65,;2.55,3.19,;3.88,3.96,;1.21,3.96,;1.21,5.5,;-.12,3.19,;-1.46,3.96,;-2.79,3.19,;3.88,.88,;5.21,1.65,;6.55,.88,;6.55,-.66,;7.88,-1.43,;7.88,-2.97,;6.55,-3.74,;5.21,-2.97,;5.21,-1.43,;3.88,-.66,;2.55,-1.43,)| | ||
Structure |