Ki Summary

Reaction Details

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Target

Dual specificity protein kinase TTK

Ligand

BDBM50569983

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2110865 (CHEMBL4819715)

6.1±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

BDBM50569983

n/a

Name

BDBM50569983

Synonyms:

CHEMBL4870731

Type

Small organic molecule

Emp. Form.

C30H41N7O2

Mol. Mass.

531.6922

SMILES

COc1cc(ccc1Nc1ncc2c(C)cc(=O)n([C@@H]3CC[C@@H](CC3)NCC3CC3)c2n1)N1CCN(C)CC1 |r,wU:22.26,19.19,(9.04,-26.26,;10.37,-25.49,;10.35,-23.95,;9.01,-23.18,;9,-21.64,;10.33,-20.86,;11.67,-21.62,;11.68,-23.16,;13.02,-23.93,;14.35,-23.14,;14.34,-21.6,;15.66,-20.82,;17.01,-21.58,;18.34,-20.8,;18.32,-19.26,;19.67,-21.57,;19.68,-23.11,;21.03,-23.87,;18.35,-23.89,;18.37,-25.43,;17.04,-26.2,;17.05,-27.74,;18.39,-28.51,;19.71,-27.73,;19.71,-26.19,;18.39,-30.05,;19.74,-30.81,;19.75,-32.35,;20.52,-33.68,;18.98,-33.69,;17.02,-23.12,;15.69,-23.91,;7.66,-20.88,;6.33,-21.65,;4.99,-20.9,;4.99,-19.36,;3.64,-18.59,;6.32,-18.57,;7.65,-19.34,)|

Structure