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Target
Dual specificity protein kinase TTK
Ligand
BDBM50386817
Substrate
n/a
Meas. Tech.
ChEMBL_828454 (CHEMBL2049891)
IC50
360±n/a nM
Citation
Vijay Kumar, D; Hoarau, C; Bursavich, M; Slattum, P; Gerrish, D; Yager, K; Saunders, M; Shenderovich, M; Roth, BL; McKinnon, R; Chan, A; Cimbora, DM; Bradford, C; Reeves, L; Patton, S; Papac, DI; Williams, BL; Carlson, RO Lead optimization of purine based orally bioavailable Mps1 (TTK) inhibitors. Bioorg Med Chem Lett 22:4377-85 (2012) [PubMed] Article
More Info.:
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:
BDBM50386817
Synonyms:
CHEMBL2047944
Type:
Small organic molecule
Emp. Form.:
C26H36N8O2
Mol. Mass.:
492.6164
SMILES:
Cc1cc(ccc1Nc1nc(NC2CCC(CC2)N2CCOCC2)c2[nH]cnc2n1)N1CCOCC1 |(11.64,-3.62,;11.64,-2.08,;12.97,-1.32,;12.98,.22,;11.64,1,;10.31,.22,;10.31,-1.31,;8.98,-2.08,;7.64,-1.31,;7.64,.23,;6.31,1.01,;6.32,2.55,;7.65,3.32,;8.99,2.54,;10.32,3.3,;10.33,4.84,;9,5.62,;7.66,4.85,;11.67,5.6,;13,4.81,;14.33,5.57,;14.35,7.11,;13.02,7.89,;11.67,7.13,;4.99,.24,;3.51,.72,;2.6,-.53,;3.51,-1.78,;4.99,-1.31,;6.31,-2.07,;14.32,.99,;15.65,.22,;16.98,.98,;16.99,2.52,;15.66,3.29,;14.31,2.53,)|