Ki Summary

Reaction Details

Report a problem with these data

Target

Dual specificity protein kinase TTK

Ligand

BDBM50533123

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1924421 (CHEMBL4427377)

IC50

2.8±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

BDBM50533123

n/a

Name

BDBM50533123

Synonyms:

CHEMBL4540859

Type

Small organic molecule

Emp. Form.

C29H32N6O3

Mol. Mass.

512.6028

SMILES

Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NC[C@H]3CC[C@H](O)CC3)cc(Oc3cccnc3)nc12 |r,wU:20.21,wD:23.25,(11.07,-27.86,;12.13,-26.74,;11.7,-25.27,;12.77,-24.16,;14.26,-24.52,;14.7,-25.99,;13.63,-27.11,;14.06,-28.59,;13,-29.7,;15.56,-28.96,;16.62,-27.84,;18.1,-27.4,;16.98,-26.34,;12.34,-22.68,;13.29,-21.47,;12.42,-20.19,;10.94,-20.63,;9.64,-19.82,;9.69,-18.28,;8.38,-17.47,;7.02,-18.2,;6.97,-19.74,;5.61,-20.46,;4.3,-19.65,;2.94,-20.37,;4.36,-18.11,;5.71,-17.39,;8.29,-20.55,;8.25,-22.09,;6.89,-22.82,;6.85,-24.36,;5.49,-25.08,;5.45,-26.62,;6.76,-27.43,;8.12,-26.69,;8.16,-25.15,;9.55,-22.89,;10.89,-22.16,)|

Structure