Reaction Details Report a problem with these data
Target
Testis-specific serine/threonine-protein kinase 2
Ligand
BDBM50582077
Substrate
n/a
Meas. Tech.
ChEMBL_2153006 (CHEMBL5037553)
IC50
944±n/a nM
Citation
 Elsner, J; Cashion, D; Robinson, D; Bahmanyar, S; Tehrani, L; Fultz, KE; Narla, RK; Peng, X; Tran, T; Apuy, J; LeBrun, L; Leftheris, K; Boylan, JF; Zhu, D; Riggs, JR Structure-Guided Optimization Provides a Series of TTK Protein Inhibitors with Potent Antitumor Activity. J Med Chem 64:12670-12679 (2021) [PubMed]  Article 
Target
Name:
Testis-specific serine/threonine-protein kinase 2
Synonyms:
DGSG | SPOGA2 | STK22B | TSSK2 | TSSK2_HUMAN
Type:
PROTEIN
Mol. Mass.:
40954.93
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1459845
Residue:
358
Sequence:
MDDATVLRKKGYIVGINLGKGSYAKVKSAYSERLKFNVAVKIIDRKKTPTDFVERFLPREMDILATVNHGSIIKTYEIFETSDGRIYIIMELGVQGDLLEFIKCQGALHEDVARKMFRQLSSAVKYCHDLDIVHRDLKCENLLLDKDFNIKLSDFGFSKRCLRDSNGRIILSKTFCGSAAYAAPEVLQSIPYQPKVYDIWSLGVILYIMVCGSMPYDDSDIRKMLRIQKEHRVDFPRSKNLTCECKDLIYRMLQPDVSQRLHIDEILSHSWLQPPKPKATSSASFKREGEGKYRAECKLDTKTGLRPDHRPDHKLGAKTQHRLLVVPENENRMEDRLAETSRAKDHHISGAEVGKAST
  
Inhibitor
Name:
BDBM50582077
Synonyms:
CHEMBL5085753
Type:
Small organic molecule
Emp. Form.:
C42H49N9O3
Mol. Mass.:
727.897
SMILES:
CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)C(=O)N2CC3(CN(C)C3)C2)nc2[nH]ccc12
Structure:
Search PDB for entries with ligand similarity: