Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetDual specificity protein kinase TTK
LigandBDBM228278
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1987223 (CHEMBL4620770)
IC50 0.150000±n/a nM
Citation Schulze, VKKlar, UKosemund, DWengner, AMSiemeister, GStöckigt, DNeuhaus, RLienau, PBader, BPrechtl, SHolton, SJBriem, HMarquardt, TSchirok, HJautelat, RBohlmann, RNguyen, DFernández-Montalván, AEBömer, UEberspaecher, UBrüning, MDöhr, ORaschke, MKreft, BMumberg, DZiegelbauer, KBrands, Mvon Nussbaum, FKoppitz, M Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase. J Med Chem63:8025-8042 (2020) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Dual specificity protein kinase TTK
Name:Dual specificity protein kinase TTK
Synonyms:Dual specificity protein kinase (TTK) | Dual specificity protein kinase TTK (MPS1) | MPS1 | MPS1L1 | Monopolar Spindle 1 (MPS1) | Monopolar Spindle 1 (Mps-1) | Monopolar Spindle 1 Kinase (MPS1) | Phosphotyrosine picked threonine-protein kinase (MPS1) | TTK | TTK_HUMAN
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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM228278
n/a
NameBDBM228278
Synonyms:US9555022, Example 02.16
TypeSmall organic molecule
Emp. Form.C33H29FN6O4
Mol. Mass.592.6196
SMILESCOc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)C(=O)N1C[C@@H]2C[C@H]1CO2 |r,TLB:35:37:43.42:40|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: