Reaction Details Report a problem with these data
Target
Casein kinase II subunit beta
Ligand
BDBM219805
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:
BDBM219805
Synonyms:
US9303033, L38, Table 41A, Compound 50
Type:
Small organic molecule
Emp. Form.:
C25H34N10O3
Mol. Mass.:
522.6027
SMILES:
CC(N1CCCC1)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,(-5.79,3.63,;-5.79,2.09,;-7.12,1.32,;-8.59,1.8,;-9.49,.55,;-8.59,-.7,;-7.12,-.22,;-4.45,1.32,;-4.45,-.22,;-3.12,2.09,;-1.79,1.32,;-.45,2.09,;.88,1.32,;.88,-.22,;-.45,-.99,;-1.79,-.22,;2.22,-.99,;3.55,-.22,;3.55,1.32,;4.88,2.09,;4.88,3.63,;6.22,4.4,;7.76,4.4,;6.99,5.73,;6.22,1.32,;7.68,1.8,;8.59,.55,;7.68,-.7,;8.45,-2.03,;7.68,-3.36,;6.14,-3.36,;5.66,-4.83,;4.33,-5.6,;6.91,-5.73,;8.16,-4.83,;9.49,-5.6,;6.22,-.22,;4.88,-.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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