Ki Summary

Reaction Details

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Target

Dual specificity protein kinase TTK

Ligand

BDBM50533130

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1924421 (CHEMBL4427377)

IC50

2.4±n/a nM

Citation

Liu, Y; Laufer, R; Patel, NK; Ng, G; Sampson, PB; Li, SW; Lang, Y; Feher, M; Brokx, R; Beletskaya, I; Hodgson, R; Plotnikova, O; Awrey, DE; Qiu, W; Chirgadze, NY; Mason, JM; Wei, X; Lin, DC; Che, Y; Kiarash, R; Fletcher, GC; Mak, TW; Bray, MR; Pauls, HW Discovery of Pyrazolo[1,5-a]pyrimidine TTK Inhibitors: CFI-402257 is a Potent, Selective, Bioavailable Anticancer Agent. ACS Med Chem Lett7:671-5 (2016) [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

BDBM50533130

n/a

Name

BDBM50533130

Synonyms:

CHEMBL4443683

Type

Small organic molecule

Emp. Form.

C27H34N6O2

Mol. Mass.

474.5979

SMILES

Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NC[C@H]3C[C@H](O)C3)cc(NC3CCCC3)nc12 |r,wU:20.21,wD:22.24,(27.45,-12.4,;28.52,-11.29,;28.09,-9.81,;29.16,-8.7,;30.65,-9.06,;31.09,-10.54,;30.02,-11.66,;30.45,-13.14,;29.38,-14.25,;31.95,-13.5,;33.01,-12.39,;34.49,-11.95,;33.37,-10.89,;28.73,-7.23,;29.68,-6.01,;28.81,-4.74,;27.33,-5.17,;26.03,-4.37,;26.08,-2.83,;24.77,-2.02,;23.41,-2.74,;22.97,-4.23,;21.5,-3.78,;20.14,-4.51,;21.94,-2.31,;24.68,-5.09,;24.63,-6.63,;23.28,-7.37,;23.24,-8.91,;21.97,-9.77,;22.4,-11.25,;23.94,-11.29,;24.46,-9.84,;25.94,-7.43,;27.28,-6.71,)|

Structure