Reaction Details | |||
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Target | Mitogen-activated protein kinase kinase kinase kinase 1 | ||
Ligand | BDBM529602 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | TBHPK1 IC50 Assay | ||
IC50 | 0.040±n/a nM | ||
Citation | Balan, G; Bartlett, MJ; Chandrasekhar, J; Codelli, JA; Conway, JH; Cosman, JL; Kalla, RV; Kasun, ZA; Kim, M; Lee, SH; Lo, JR; Loyer-Drew, JA; Mitchell, SA; Perry, TD; Phillips, GB; Salvo, PJ; Swaminathan, S; Van Veldhuizen, JJ; Yeung, SC; Zablocki, J Substituted 6-azabenzimidazole compounds US Patent US11203591 Publication Date 12/21/2021 | ||
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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BDBM529602 | |||
n/a | |||
Name | BDBM529602 | ||
Synonyms: | US11203591, Example 17 | ||
Type | Small organic molecule | ||
Emp. Form. | C36H40FN7O2 | ||
Mol. Mass. | 621.7469 | ||
SMILES | Cc1ccc(Nc2nc(cc3ncn(C4CC4)c23)-c2ccc3c(c2)N([C@H]2C[C@H](C2)N2CCC[C@@H](F)C2)C(=O)C3(C)C)cc1C(N)=O |r,wU:25.28,27.33,33.38,(-1.71,-4.45,;-.37,-3.68,;-.37,-2.14,;.96,-1.37,;2.29,-2.14,;3.63,-1.37,;3.63,.17,;2.29,.94,;2.29,2.48,;3.63,3.25,;4.96,2.48,;6.43,2.96,;7.33,1.71,;6.43,.47,;6.83,-1.02,;6.43,-2.51,;7.91,-2.11,;4.96,.94,;.96,3.25,;.96,4.79,;-.37,5.56,;-1.71,4.79,;-1.71,3.25,;-.37,2.48,;-3.17,2.78,;-3.57,1.29,;-2.8,-.04,;-4.13,-.81,;-4.9,.52,;-4.53,-2.3,;-3.42,-3.4,;-3.82,-4.91,;-5.33,-5.31,;-6.43,-4.2,;-7.91,-4.6,;-6.02,-2.7,;-4.08,4.02,;-5.62,4.02,;-3.17,5.27,;-4.26,6.36,;-2.77,6.76,;2.29,-3.68,;.96,-4.45,;.96,-5.99,;2.29,-6.76,;-.37,-6.76,)| | ||
Structure |