Reaction Details Report a problem with these data
Target
Casein kinase II subunit beta
Ligand
BDBM219813
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:
BDBM219813
Synonyms:
US9303033, T38, Table 41A, Compound 58
Type:
Small organic molecule
Emp. Form.:
C22H31N9O2
Mol. Mass.:
453.5406
SMILES:
CC(C)CN[C@H]1CC[C@@H](CC1)Nc1nc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1 |r,wU:5.4,wD:8.11,(-6.31,5.84,;-6.31,4.3,;-7.64,3.53,;-4.97,3.53,;-4.97,1.99,;-3.64,1.22,;-2.3,1.99,;-.97,1.22,;-.97,-.32,;-2.3,-1.09,;-3.64,-.32,;.36,-1.09,;1.7,-.32,;1.7,1.22,;3.03,1.99,;3.03,3.53,;4.36,4.3,;5.9,4.3,;5.13,5.63,;4.36,1.22,;5.83,1.69,;6.73,.45,;5.83,-.8,;6.6,-2.13,;5.83,-3.47,;4.29,-3.47,;3.81,-4.93,;2.48,-5.7,;5.06,-5.84,;6.31,-4.93,;7.64,-5.7,;4.36,-.32,;3.03,-1.09,)|
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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