Reaction Details | |||
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Target | Calcium/calmodulin-dependent protein kinase kinase 2 | ||
Ligand | BDBM50442139 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_993105 (CHEMBL2446680) | ||
IC50 | 200±n/a nM | ||
Citation | Alder, CM; Ambler, M; Campbell, AJ; Champigny, AC; Deakin, AM; Harling, JD; Harris, CA; Longstaff, T; Lynn, S; Maxwell, AC; Mooney, CJ; Scullion, C; Singh, OM; Smith, IE; Somers, DO; Tame, CJ; Wayne, G; Wilson, C; Woolven, JM Identification of a Novel and Selective Series of Itk Inhibitors via a Template-Hopping Strategy. ACS Med Chem Lett4:948-52 (2013) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Calcium/calmodulin-dependent protein kinase kinase 2 | |||
Name: | Calcium/calmodulin-dependent protein kinase kinase 2 | ||
Synonyms: | CAMKK2 | CAMKKB | Calcium/calmodulin-dependent protein kinase kinase 2 (CaMKKB) | Calcium/calmodulin-dependent protein kinase kinase beta | KIAA0787 | KKCC2_HUMAN | ||
Type: | Enzyme Catalytic Domain | ||
Mol. Mass.: | 64746.61 | ||
Organism: | Homo sapiens (Human) | ||
Description: | gi_27437015 | ||
Residue: | 588 | ||
Sequence: |
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BDBM50442139 | |||
n/a | |||
Name | BDBM50442139 | ||
Synonyms: | CHEMBL2441273 | ||
Type | Small organic molecule | ||
Emp. Form. | C26H29N5OS | ||
Mol. Mass. | 459.606 | ||
SMILES | CCc1ccc2nc(Nc3cc(Cc4ccccc4)nc(N[C@H]4CC[C@H](O)CC4)n3)sc2c1 |r,wU:25.26,wD:22.22,(34.44,-4.96,;33.51,-3.74,;31.98,-3.93,;31.04,-2.71,;29.52,-2.9,;28.92,-4.33,;27.47,-4.83,;27.5,-6.37,;26.29,-7.31,;26.32,-8.85,;25,-9.64,;25.03,-11.18,;23.69,-11.97,;22.36,-11.2,;22.37,-9.66,;21.03,-8.89,;19.69,-9.66,;19.69,-11.2,;21.03,-11.97,;26.37,-11.93,;27.69,-11.14,;29.03,-11.88,;30.36,-11.09,;31.7,-11.84,;33.02,-11.06,;33,-9.52,;34.33,-8.73,;31.66,-8.77,;30.34,-9.56,;27.67,-9.6,;28.98,-6.82,;29.86,-5.55,;31.38,-5.35,)| | ||
Structure |