Ki Summary

Reaction Details

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Target

Dual specificity protein kinase TTK

Ligand

BDBM50569971

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2110865 (CHEMBL4819715)

0.630000±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

BDBM50569971

n/a

Name

BDBM50569971

Synonyms:

CHEMBL4869142

Type

Small organic molecule

Emp. Form.

C29H39N7O2

Mol. Mass.

517.6657

SMILES

CCC(=O)N[C@H]1CC[C@H](CC1)n1c2nc(Nc3ccc(cc3C)N3CCN(C)CC3)ncc2c(C)cc1=O |r,wU:8.11,5.4,(27.61,-17.45,;27.62,-18.99,;26.28,-19.75,;26.28,-21.29,;24.94,-18.99,;24.94,-17.45,;23.6,-16.69,;23.6,-15.15,;24.93,-14.37,;26.27,-15.13,;26.27,-16.67,;24.93,-12.83,;23.59,-12.07,;22.25,-12.84,;20.92,-12.08,;19.59,-12.85,;18.26,-12.08,;18.25,-10.54,;16.92,-9.78,;15.58,-10.56,;15.58,-12.1,;16.92,-12.86,;16.92,-14.4,;14.24,-9.79,;12.91,-10.56,;11.58,-9.8,;11.57,-8.26,;10.24,-7.5,;12.9,-7.48,;14.23,-8.25,;20.91,-10.54,;22.25,-9.76,;23.59,-10.53,;24.92,-9.75,;24.91,-8.21,;26.25,-10.51,;26.25,-12.05,;27.59,-12.82,)|

Structure