Reaction Details Report a problem with these data
Target
Dual specificity protein kinase TTK
Ligand
BDBM149692
Substrate
n/a
Meas. Tech.
Trans-Phosphorylation Assay
pH
3±n/a
IC50
855±n/a nM
Comments
extracted
Citation
 Caldarelli, M; Angiolini, M; Beria, I; Brasca, MG; Casuscelli, F; D'Alessio, R; Lombardi Borgia, A Tricyclic pyrrolo derivatives, process for their preparation and their use as kinase inhibitors US Patent  US8975267 Publication Date 3/10/2015 
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:
BDBM149692
Synonyms:
US8975267, 34
Type:
Small organic molecule
Emp. Form.:
C18H21N5OS
Mol. Mass.:
355.457
SMILES:
CSc1ncc2ccc3c(cn([C@@H]4CC[C@H](N)CC4)c3c2n1)C(N)=O |wU:15.15,12.11,(6.59,1.87,;5.05,1.92,;4.24,.61,;4.97,-.75,;4.16,-2.06,;2.62,-2.01,;1.81,-3.32,;.27,-3.27,;-.46,-1.92,;-1.96,-1.55,;-2.07,-.01,;-.64,.57,;-.28,2.07,;1.2,2.49,;1.57,3.99,;.46,5.06,;.82,6.55,;-1.02,4.63,;-1.39,3.13,;.35,-.61,;1.89,-.65,;2.7,.65,;-3.13,-2.54,;-2.86,-4.06,;-4.58,-2.02,)|
Structure:
Search PDB for entries with ligand similarity: