Ki Summary

Reaction Details

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Target

Dual specificity protein kinase TTK

Ligand

BDBM50569987

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2110865 (CHEMBL4819715)

825±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

BDBM50569987

n/a

Name

BDBM50569987

Synonyms:

CHEMBL4862196

Type

Small organic molecule

Emp. Form.

C34H41N7O3

Mol. Mass.

595.7344

SMILES

CCC(=O)N[C@H]1CC[C@H](CC1)n1c2nc(Nc3ccc(cc3OC)N3CCN(C)CC3)ncc2c(cc1=O)-c1ccccc1 |r,wU:8.11,5.4,(32.37,-23.07,;32.39,-24.61,;31.07,-25.4,;31.09,-26.94,;29.72,-24.64,;29.7,-23.1,;28.36,-22.35,;28.34,-20.81,;29.67,-20.02,;31.01,-20.78,;31.03,-22.32,;29.65,-18.48,;28.31,-17.73,;26.98,-18.51,;25.63,-17.76,;24.31,-18.54,;22.97,-17.78,;22.95,-16.24,;21.61,-15.49,;20.28,-16.28,;20.3,-17.82,;21.65,-18.57,;21.67,-20.11,;20.34,-20.9,;18.94,-15.52,;17.61,-16.31,;16.27,-15.55,;16.25,-14.01,;14.91,-13.26,;17.58,-13.23,;18.92,-13.98,;25.61,-16.21,;26.94,-15.43,;28.29,-16.19,;29.61,-15.4,;30.95,-16.15,;30.97,-17.69,;32.32,-18.45,;29.59,-13.86,;28.25,-13.11,;28.24,-11.57,;29.56,-10.78,;30.9,-11.53,;30.92,-13.07,)|

Structure