Reaction Details Report a problem with these data
Target
Dual specificity protein kinase TTK
Ligand
BDBM413452
Substrate
n/a
Meas. Tech.
Enzyme Assay
IC50
5012±n/a nM
Citation
 Finlay, MR; Goldberg, FW; Ting, AK Amino-triazolopyridine compounds and their use in treating cancer US Patent  US10407446 Publication Date 9/10/2019 
Target
Name:
Dual specificity protein kinase TTK
Synonyms:
Dual specificity protein kinase (TTK) | Dual specificity protein kinase TTK (MPS1) | MPS1 | MPS1L1 | Monopolar Spindle 1 (MPS1) | Monopolar Spindle 1 (Mps-1) | Monopolar Spindle 1 Kinase (MPS1) | Phosphotyrosine picked threonine-protein kinase (MPS1) | TTK | TTK_HUMAN
Type:
Protein
Mol. Mass.:
97086.79
Organism:
Homo sapiens (Human)
Description:
P33981
Residue:
857
Sequence:
MESEDLSGRELTIDSIMNKVRDIKNKFKNEDLTDELSLNKISADTTDNSGTVNQIMMMANNPEDWLSLLLKLEKNSVPLSDALLNKLIGRYSQAIEALPPDKYGQNESFARIQVRFAELKAIQEPDDARDYFQMARANCKKFAFVHISFAQFELSQGNVKKSKQLLQKAVERGAVPLEMLEIALRNLNLQKKQLLSEEEKKNLSASTVLTAQESFSGSLGHLQNRNNSCDSRGQTTKARFLYGENMPPQDAEIGYRNSLRQTNKTKQSCPFGRVPVNLLNSPDCDVKTDDSVVPCFMKRQTSRSECRDLVVPGSKPSGNDSCELRNLKSVQNSHFKEPLVSDEKSSELIITDSITLKNKTESSLLAKLEETKEYQEPEVPESNQKQWQSKRKSECINQNPAASSNHWQIPELARKVNTEQKHTTFEQPVFSVSKQSPPISTSKWFDPKSICKTPSSNTLDDYMSCFRTPVVKNDFPPACQLSTPYGQPACFQQQQHQILATPLQNLQVLASSSANECISVKGRIYSILKQIGSGGSSKVFQVLNEKKQIYAIKYVNLEEADNQTLDSYRNEIAYLNKLQQHSDKIIRLYDYEITDQYIYMVMECGNIDLNSWLKKKKSIDPWERKSYWKNMLEAVHTIHQHGIVHSDLKPANFLIVDGMLKLIDFGIANQMQPDTTSVVKDSQVGTVNYMPPEAIKDMSSSRENGKSKSKISPKSDVWSLGCILYYMTYGKTPFQQIINQISKLHAIIDPNHEIEFPDIPEKDLQDVLKCCLKRDPKQRISIPELLAHPYVQIQTHPVNQMAKGTTEEMKYVLGQLVGLNSPNSILKAAKTLYEHYSGGESHNSSSSKTFEKKRGKK
  
Inhibitor
Name:
BDBM413452
Synonyms:
9-((1s,4s)-4-methoxycyclohexyl)-7-methyl-2-((7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino)-7,9-dihydro-8H-purin-8-one | US10407446, Example 5 | US11136340, Example 5
Type:
Small organic molecule
Emp. Form.:
C20H24N8O2
Mol. Mass.:
408.457
SMILES:
CO[C@H]1CC[C@H](CC1)n1c2nc(Nc3cn4ncnc4cc3C)ncc2n(C)c1=O |r,wU:5.8,2.1,(7.49,-4.96,;5.95,-4.96,;5.55,-3.48,;4.06,-3.08,;3.66,-1.59,;4.75,-.5,;6.24,-.9,;6.64,-2.39,;4.35,.99,;2.89,1.46,;1.55,.69,;.22,1.46,;-1.11,.69,;-2.45,1.46,;-3.78,.69,;-5.12,1.46,;-6.58,.99,;-7.49,2.23,;-6.58,3.48,;-5.12,3,;-3.78,3.77,;-2.45,3,;-1.11,3.77,;.22,3,;1.55,3.77,;2.89,3,;4.35,3.48,;4.75,4.96,;5.26,2.23,;6.8,2.23,)|
Structure:
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