Reaction Details Report a problem with these data
Target
Mitotic checkpoint serine/threonine-protein kinase BUB1
Ligand
BDBM415331
Substrate
n/a
Meas. Tech.
Kinase Assay
IC50
4.61±n/a nM
Citation
 Graham, K; Klar, U; Briem, H; Hitchcock, M; Bärfacker, L; Eis, K; Schulze, V; Siemeister, G; Bone, W; Schröder, J; Holton, S; Lienau, P; Tempel, R; Sonnenschein, H; Bálint, J; Graubaum, H 3-amino-1,5,6,7-tetrahydro-4H-indol-4-ones US Patent  US10428044 Publication Date 10/1/2019 
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:
BDBM415331
Synonyms:
2-{[(2-aminopyridin-4-yl)methyl]amino}-4-({[tert-butyl(diphenyl)silyl]oxy}methyl)-6-oxo-N-phenylcyclohex-1-ene-1-carbothioamide | US10428044, Example 444
Type:
Small organic molecule
Emp. Form.:
C22H21ClN4O2
Mol. Mass.:
408.881
SMILES:
CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CCl)CC(=O)c2c1Nc1ccccc1
Structure:
Search PDB for entries with ligand similarity: