Ki Summary

Reaction Details

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Target

Dual specificity protein kinase TTK

Ligand

BDBM50569980

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2110865 (CHEMBL4819715)

0.560000±n/a nM

Citation

Huang, M; Huang, Y; Guo, J; Yu, L; Chang, Y; Wang, X; Luo, J; Huang, Y; Tu, Z; Lu, X; Xu, Y; Zhang, Z; Zhang, Z; Ding, K Pyrido[2, 3-d]pyrimidin-7(8H)-ones as new selective orally bioavailable Threonine Tyrosine Kinase (TTK) inhibitors. Eur J Med Chem211:0 (2021) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Dual specificity protein kinase TTK

Name:

Dual specificity protein kinase TTK

Synonyms:

Type:

Protein

Mol. Mass.:

97086.79

Organism:

Homo sapiens (Human)

Description:

P33981

Residue:

857

Sequence:

MESEDLSGRELTIDSIMNKVRDIKNKFKNEDLTDELSLNKISADTTDNSGTVNQIMMMAN
NPEDWLSLLLKLEKNSVPLSDALLNKLIGRYSQAIEALPPDKYGQNESFARIQVRFAELK
AIQEPDDARDYFQMARANCKKFAFVHISFAQFELSQGNVKKSKQLLQKAVERGAVPLEML
EIALRNLNLQKKQLLSEEEKKNLSASTVLTAQESFSGSLGHLQNRNNSCDSRGQTTKARF
LYGENMPPQDAEIGYRNSLRQTNKTKQSCPFGRVPVNLLNSPDCDVKTDDSVVPCFMKRQ
TSRSECRDLVVPGSKPSGNDSCELRNLKSVQNSHFKEPLVSDEKSSELIITDSITLKNKT
ESSLLAKLEETKEYQEPEVPESNQKQWQSKRKSECINQNPAASSNHWQIPELARKVNTEQ
KHTTFEQPVFSVSKQSPPISTSKWFDPKSICKTPSSNTLDDYMSCFRTPVVKNDFPPACQ
LSTPYGQPACFQQQQHQILATPLQNLQVLASSSANECISVKGRIYSILKQIGSGGSSKVF
QVLNEKKQIYAIKYVNLEEADNQTLDSYRNEIAYLNKLQQHSDKIIRLYDYEITDQYIYM
VMECGNIDLNSWLKKKKSIDPWERKSYWKNMLEAVHTIHQHGIVHSDLKPANFLIVDGML
KLIDFGIANQMQPDTTSVVKDSQVGTVNYMPPEAIKDMSSSRENGKSKSKISPKSDVWSL
GCILYYMTYGKTPFQQIINQISKLHAIIDPNHEIEFPDIPEKDLQDVLKCCLKRDPKQRI
SIPELLAHPYVQIQTHPVNQMAKGTTEEMKYVLGQLVGLNSPNSILKAAKTLYEHYSGGE
SHNSSSSKTFEKKRGKK

BDBM50569980

n/a

Name

BDBM50569980

Synonyms:

CHEMBL4873395

Type

Small organic molecule

Emp. Form.

C37H49N7O3

Mol. Mass.

639.8301

SMILES

COc1cc(ccc1Nc1ncc2c(C)cc(=O)n([C@@H]3CC[C@@H](CC3)NC(=O)C34CC5CC(CC(C5)C3)C4)c2n1)N1CCN(C)CC1 |r,wU:19.19,22.26,TLB:26:28:31:35.33.34,THB:33:32:29:35.34.36,33:34:31.32.37:29,36:34:31:37.28.29,36:28:31:35.33.34,(12.65,-13.19,;13.97,-12.39,;13.95,-10.85,;12.6,-10.1,;12.59,-8.56,;13.9,-7.77,;15.25,-8.52,;15.27,-10.06,;16.61,-10.81,;17.93,-10.02,;17.91,-8.48,;19.22,-7.69,;20.57,-8.45,;21.9,-7.65,;21.87,-6.11,;23.25,-8.41,;23.27,-9.95,;24.61,-10.7,;21.94,-10.74,;21.97,-12.28,;20.64,-13.07,;20.66,-14.62,;22.01,-15.37,;23.33,-14.58,;23.31,-13.03,;22.03,-16.91,;23.38,-17.66,;24.7,-16.87,;23.4,-19.2,;22.12,-19.66,;22.12,-21.06,;20.99,-22.28,;22.42,-21.88,;23.75,-22.42,;24.71,-21.21,;23.39,-21.54,;24.73,-19.75,;22.41,-20.37,;20.6,-9.99,;19.27,-10.78,;11.23,-7.8,;9.91,-8.59,;8.56,-7.85,;8.54,-6.3,;7.19,-5.55,;9.86,-5.51,;11.22,-6.27,)|

Structure