Reaction Details Report a problem with these data
Target
Casein kinase II subunit beta
Ligand
BDBM219809
Substrate
BDBM220103
Meas. Tech.
Inhibition Assay
pH
7±n/a
IC50
>1000±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:
BDBM219809
Synonyms:
US9303033, P38, Table 41A, Compound 54
Type:
Small organic molecule
Emp. Form.:
C23H26F3N9O3
Mol. Mass.:
533.5062
SMILES:
FC(F)(F)C1(CC1)C(=O)N[C@H]1CC[C@@H](CC1)Nc1nc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1 |r,wU:10.10,wD:13.17,(-8.97,2.09,;-7.64,1.32,;-7.64,-.22,;-8.41,2.65,;-6.31,2.09,;-5.54,3.42,;-7.08,3.42,;-4.97,1.32,;-4.97,-.22,;-3.64,2.09,;-2.3,1.32,;-.97,2.09,;.36,1.32,;.36,-.22,;-.97,-.99,;-2.3,-.22,;1.7,-.99,;3.03,-.22,;3.03,1.32,;4.36,2.09,;4.36,3.63,;5.7,4.4,;7.24,4.4,;6.47,5.73,;5.7,1.32,;7.16,1.8,;8.07,.55,;7.16,-.7,;7.93,-2.03,;7.16,-3.36,;5.62,-3.36,;5.15,-4.83,;3.81,-5.6,;6.39,-5.73,;7.64,-4.83,;8.97,-5.6,;5.7,-.22,;4.36,-.99,)|
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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