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Target
Casein kinase II subunit beta
Ligand
BDBM218886
Substrate
BDBM220103
Meas. Tech.
Inhibition Assay
pH
7±n/a
IC50
253.2±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 
Target
Name:
Casein kinase II subunit beta
Synonyms:
CK2N | CSK2B_HUMAN | CSNK2B | Casein kinase II subunit beta | Casein kinase II subunit beta (CK2 beta) | Casein kinase II subunit beta (CK2β) | G5A | Serine/threonine-protein kinase pim-2
Type:
Enzyme
Mol. Mass.:
24937.13
Organism:
Homo sapiens (Human)
Description:
P67870
Residue:
215
Sequence:
MSSSEEVSWISWFCGLRGNEFFCEVDEDYIQDKFNLTGLNEQVPHYRQALDMILDLEPDEELEDNPNQSDLIEQAAEMLYGLIHARYILTNRGIAQMLEKYQQGDFGYCPRVYCENQPMLPIGLSDIPGEAMVKLYCPKCMDVYTPKSSRHHHTDGAYFGTGFPHMLFMVHPEYRPKRPANQFVPRLYGFKIHPMAYQLQLQAASNFKSPVKTIR
  
Inhibitor
Name:
BDBM218886
Synonyms:
US9303033, O36, Table 41A, Compound 1 | US9303033, R2, Table 9A, Compound 3
Type:
Small organic molecule
Emp. Form.:
C19H24N8O2
Mol. Mass.:
396.4463
SMILES:
N[C@H]1CC[C@@H](CC1)Nc1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1 |r,wU:1.0,wD:4.7,(-8.26,1.91,;-6.92,1.14,;-5.59,1.91,;-4.25,1.14,;-4.25,-.4,;-5.59,-1.17,;-6.92,-.4,;-2.92,-1.17,;-1.59,-.4,;-1.59,1.14,;-.25,1.91,;-.25,3.45,;1.08,4.22,;2.62,4.22,;1.85,5.56,;1.08,1.14,;2.54,1.62,;3.45,.37,;2.54,-.87,;2.94,-2.36,;4.43,-2.76,;5.68,-1.85,;6.92,-2.76,;8.26,-1.99,;6.45,-4.22,;4.91,-4.22,;4.14,-5.56,;1.08,-.4,;-.25,-1.17,)|
Structure:
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Substrate
Name:
BDBM220103
Synonyms:
US9303033, RSRSSYPAGT
Type:
Peptide Substrate
Emp. Form.:
C44H77N16O15
Mol. Mass.:
1070.1798
SMILES:
CC(O)C(NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)N)NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])CCCNC(N)N)C=O |r|
Structure:
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