Reaction Details Report a problem with these data
Target
Mitotic checkpoint serine/threonine-protein kinase BUB1
Ligand
BDBM378921
Substrate
n/a
Meas. Tech.
Bub1 Kinase Assay
IC50
7.30±n/a nM
Citation
 Hitchcock, M; Mengel, A; Pütter, V; Siemeister, G; Wengner, AM; Briem, H; Eis, K; Schulze, V; Fernandez-Montalvan, AE; Prechtl, S; Holton, S; Fanghänel, J; Lienau, P; Preusse, C; Gnoth, MJ Substituted benzylindazoles for use as Bub1 kinase inhibitors in the treatment of hyperproliferative diseases US Patent  US10266548 Publication Date 4/23/2019 
Target
Name:
Mitotic checkpoint serine/threonine-protein kinase BUB1
Synonyms:
BUB1 | BUB1A | BUB1L | BUB1_HUMAN | hBUB1
Type:
PROTEIN
Mol. Mass.:
122372.31
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1510603
Residue:
1085
Sequence:
MDTPENVLQMLEAHMQSYKGNDPLGEWERYIQWVEENFPENKEYLITLLEHLMKEFLDKKKYHNDPRFISYCLKFAEYNSDLHQFFEFLYNHGIGTLSSPLYIAWAGHLEAQGELQHASAVLQRGIQNQAEPREFLQQQYRLFQTRLTETHLPAQARTSEPLHNVQVLNQMITSKSNPGNNMACISKNQGSELSGVISSACDKESNMERRVITISKSEYSVHSSLASKVDVEQVVMYCKEKLIRGESEFSFEELRAQKYNQRRKHEQWVNEDRHYMKRKEANAFEEQLLKQKMDELHKKLHQVVETSHEDLPASQERSEVNPARMGPSVGSQQELRAPCLPVTYQQTPVNMEKNPREAPPVVPPLANAISAALVSPATSQSIAPPVPLKAQTVTDSMFAVASKDAGCVNKSTHEFKPQSGAEIKEGCETHKVANTSSFHTTPNTSLGMVQATPSKVQPSPTVHTKEALGFIMNMFQAPTLPDISDDKDEWQSLDQNEDAFEAQFQKNVRSSGAWGVNKIISSLSSAFHVFEDGNKENYGLPQPKNKPTGARTFGERSVSRLPSKPKEEVPHAEEFLDDSTVWGIRCNKTLAPSPKSPGDFTSAAQLASTPFHKLPVESVHILEDKENVVAKQCTQATLDSCEENMVVPSRDGKFSPIQEKSPKQALSSHMYSASLLRLSQPAAGGVLTCEAELGVEACRLTDTDAAIAEDPPDAIAGLQAEWMQMSSLGTVDAPNFIVGNPWDDKLIFKLLSGLSKPVSSYPNTFEWQCKLPAIKPKTEFQLGSKLVYVHHLLGEGAFAQVYEATQGDLNDAKNKQKFVLKVQKPANPWEFYIGTQLMERLKPSMQHMFMKFYSAHLFQNGSVLVGELYSYGTLLNAINLYKNTPEKVMPQGLVISFAMRMLYMIEQVHDCEIIHGDIKPDNFILGNGFLEQDDEDDLSAGLALIDLGQSIDMKLFPKGTIFTAKCETSGFQCVEMLSNKPWNYQIDYFGVAATVYCMLFGTYMKVKNEGGECKPEGLFRRLPHLDMWNEFFHVMLNIPDCHHLPSLDLLRQKLKKVFQQHYTNKIRALRNRLIVLLLECKRSRK
  
Inhibitor
Name:
BDBM378921
Synonyms:
2-[1-(4-bromo- 2,6- difluorobenzyl)- 1H-indazol-3-yl]- 5-methoxy-N- (pyridin-4- yl)pyrimidin-4- amine | US10266548, Example 2-12-1
Type:
Small organic molecule
Emp. Form.:
C24H17BrF2N6O
Mol. Mass.:
523.332
SMILES:
COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(F)cc(Br)cc2F)c2ccccc12
Structure:
Search PDB for entries with ligand similarity: