Reaction Details Report a problem with these data
Target
Maternal embryonic leucine zipper kinase
Ligand
BDBM177372
Substrate
n/a
Meas. Tech.
Kinase Assay
pH
7.4±n/a
Temperature
298.15±n/a K
IC50
2.6±n/a nM
Comments
extracted
Citation
 Matsuo, Y; Hisada, S; Nakamura, Y; Ahmed, F; Huntley, R; Walker, JR; Decornez, H Quinoline derivatives and MELK inhibitors containing the same US Patent  US9120749 Publication Date 9/1/2015 
Target
Name:
Maternal embryonic leucine zipper kinase
Synonyms:
KIAA0175 | MELK | MELK_HUMAN | Maternal embryonic leucine zipper kinase | Maternal embryonic leucine zipper kinase (MELK)
Type:
Enzyme
Mol. Mass.:
74665.45
Organism:
Homo sapiens (Human)
Description:
Q14680
Residue:
651
Sequence:
MKDYDELLKYYELHETIGTGGFAKVKLACHILTGEMVAIKIMDKNTLGSDLPRIKTEIEALKNLRHQHICQLYHVLETANKIFMVLEYCPGGELFDYIISQDRLSEEETRVVFRQIVSAVAYVHSQGYAHRDLKPENLLFDEYHKLKLIDFGLCAKPKGNKDYHLQTCCGSLAYAAPELIQGKSYLGSEADVWSMGILLYVLMCGFLPFDDDNVMALYKKIMRGKYDVPKWLSPSSILLLQQMLQVDPKKRISMKNLLNHPWIMQDYNYPVEWQSKNPFIHLDDDCVTELSVHHRNNRQTMEDLISLWQYDHLTATYLLLLAKKARGKPVRLRLSSFSCGQASATPFTDIKSNNWSLEDVTASDKNYVAGLIDYDWCEDDLSTGAATPRTSQFTKYWTESNGVESKSLTPALCRTPANKLKNKENVYTPKSAVKNEEYFMFPEPKTPVNKNQHKREILTTPNRYTTPSKARNQCLKETPIKIPVNSTGTDKLMTGVISPERRCRSVELDLNQAHMEETPKRKGAKVFGSLERGLDKVITVLTRSKRKGSARDGPRRLKLHYNVTTTRLVNPDQLLNEIMSILPKKHVDFVQKGYTLKCQTQSDFGKVTMQFELEVCQLQKPDVVGIRRQRLKGDAWVYKRLVEDILSSCKV
  
Inhibitor
Name:
BDBM177372
Synonyms:
US9120749, 738
Type:
Small organic molecule
Emp. Form.:
C28H34ClN3O3
Mol. Mass.:
496.041
SMILES:
COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(C)=O)c(N[C@H]3CC[C@H](CCN(C)C)CC3)c2c1 |r,wU:25.26,wD:22.22,(-7.34,-2.82,;-6,-3.59,;-4.67,-2.82,;-3.33,-3.59,;-2,-2.82,;-2,-1.28,;-3.33,-.51,;-3.33,1.03,;-4.67,-1.28,;-6,-.51,;-.67,-3.59,;-.67,-5.13,;.67,-5.9,;2,-5.13,;3.33,-5.9,;4.67,-5.13,;4.67,-3.59,;6,-2.82,;7.34,-3.59,;6,-1.28,;3.33,-2.82,;3.33,-1.03,;2,-.26,;2,1.28,;.67,2.05,;-.67,1.28,;-2,2.05,;-2,3.59,;-3.33,4.36,;-4.67,3.59,;-3.33,5.9,;-.67,-.26,;.67,-1.03,;2,-3.59,;.67,-2.82,)|
Structure:
Search PDB for entries with ligand similarity: