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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Casein kinase II subunit alpha/beta | ||
| Ligand | BDBM219758 | ||
| Substrate/Competitor | BDBM220098 | ||
| Meas. Tech. | In Vitro Cell-Free Assay | ||
| pH | 7.2±n/a | ||
| IC50 | <10±n/a nM | ||
| Comments | extracted | ||
| Citation |  Haddach, M; Tran, JA; Pierre, F; Regan, CF; Raffaele, N; Ravula, S; Ryckman, DM Pyrazolopyrimidines and related heterocycles as CK2 inhibitors US Patent US9303033 Publication Date 4/5/2016 | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Casein kinase II subunit alpha/beta | |||
| Name: | Casein kinase II subunit alpha/beta | ||
| Synonyms: | Casein kinase 2 (CK2) | Casein kinase II alpha/beta | Casein kinase II subunit alpha alpha beta beta | Complex of catalytic (CK2α) and non-catalytic (CK2β) subunits | ||
| Type: | n/a | ||
| Mol. Mass.: | n/a | ||
| Description: | ASSAY_ID of ChEMBL is 989485 | ||
| Components: | This complex has 2 components. | ||
| Component 1 | |||
| Name: | Casein kinase II subunit alpha | ||
| Synonyms: | CK II | CK2 | CK2- alpha | CK2A1 | CSK21_HUMAN | CSNK2A1 | Casein kinase 2 | Casein kinase II (CK2) | Casein kinase II alpha/beta | Casein kinase II subunit alpha (CK2 alpha) | Casein kinase II subunit alpha (CK2A1) | Casein kinase II subunit alpha (CK2a I174A) | Casein kinase II subunit alpha (CK2a V66A) | Casein kinase II subunit alpha (CK2a dm V66I174AA) | Casein kinase II subunit alpha (CK2a) | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 45151.12 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P68400 | ||
| Residue: | 391 | ||
| Sequence: |
| ||
| Component 2 | |||
| Name: | Casein kinase II subunit beta | ||
| Synonyms: | CK II beta | CSK2B_RAT | Casein kinase II beta | Casein kinase II subunit beta | Ck2n | Csnk2b | Phosvitin | ||
| Type: | PROTEIN | ||
| Mol. Mass.: | 24937.13 | ||
| Organism: | Rattus norvegicus | ||
| Description: | EBI_10969 | ||
| Residue: | 215 | ||
| Sequence: |
| ||
| BDBM219758 | |||
| BDBM220098 | |||
| Name | BDBM219758 | ||
| Synonyms: | US9303033, Q36, Table 41A, Compound 3 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C22H29N9O3 | ||
| Mol. Mass. | 467.5242 | ||
| SMILES | CN(C)C(=O)N[C@H]1CC[C@@H](CC1)Nc1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1 |r,wU:6.5,wD:9.12,(-9.59,3.35,;-8.26,4.12,;-8.26,5.66,;-6.92,3.35,;-5.59,4.12,;-6.92,1.81,;-5.59,1.04,;-4.26,1.81,;-2.92,1.04,;-2.92,-.5,;-4.26,-1.27,;-5.59,-.5,;-1.59,-1.27,;-.25,-.5,;-.25,1.04,;1.08,1.81,;1.08,3.35,;2.41,4.12,;3.95,4.12,;3.18,5.45,;2.41,1.04,;3.88,1.52,;4.78,.27,;3.88,-.98,;4.28,-2.46,;5.76,-2.86,;7.01,-1.96,;8.26,-2.86,;9.59,-2.09,;7.78,-4.33,;6.24,-4.33,;5.47,-5.66,;2.41,-.5,;1.08,-1.27,)| | ||
| Structure | 
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