Ki Summary

Reaction Details

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Target

Dual specificity protein kinase TTK

Ligand

BDBM50569986

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2110865 (CHEMBL4819715)

7.9±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

BDBM50569986

n/a

Name

BDBM50569986

Synonyms:

CHEMBL4853433

Type

Small organic molecule

Emp. Form.

C31H41N7O3

Mol. Mass.

559.7023

SMILES

CCC(=O)N[C@H]1CC[C@H](CC1)n1c2nc(Nc3ccc(cc3OC)N3CCN(C)CC3)ncc2c(cc1=O)C1CC1 |r,wU:8.11,5.4,(31.93,-16.84,;31.94,-18.38,;30.61,-19.15,;30.62,-20.69,;29.27,-18.4,;29.26,-16.86,;27.92,-16.09,;27.91,-14.55,;29.24,-13.78,;30.58,-14.53,;30.59,-16.07,;29.23,-12.24,;27.89,-11.47,;26.56,-12.25,;25.23,-11.49,;23.9,-12.26,;22.56,-11.51,;22.55,-9.97,;21.21,-9.2,;19.88,-9.99,;19.89,-11.53,;21.23,-12.28,;21.24,-13.82,;19.91,-14.61,;18.54,-9.22,;17.21,-10,;15.87,-9.24,;15.86,-7.7,;14.53,-6.93,;17.19,-6.92,;18.53,-7.68,;25.21,-9.95,;26.55,-9.17,;27.88,-9.93,;29.21,-9.16,;30.55,-9.91,;30.56,-11.45,;31.9,-12.22,;29.21,-7.61,;28.42,-6.28,;29.96,-6.27,)|

Structure