Reaction Details Report a problem with these data
Target
Maternal embryonic leucine zipper kinase
Ligand
BDBM176977
Substrate
n/a
Meas. Tech.
Kinase Assay
pH
7.4±n/a
Temperature
298.15±n/a K
IC50
2.1±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:
BDBM176977
Synonyms:
US9120749, 343
Type:
Small organic molecule
Emp. Form.:
C30H34ClN3O3
Mol. Mass.:
520.062
SMILES:
COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(N[C@H]3CC[C@@H](CC3)N3CCCC3)c2c1 |r,wU:24.25,wD:27.32,(-8.11,-2.42,;-6.77,-3.19,;-5.44,-2.42,;-4.1,-3.19,;-2.77,-2.42,;-2.77,-.88,;-4.1,-.11,;-4.1,1.43,;-5.44,-.88,;-6.77,-.11,;-1.44,-3.19,;-1.44,-4.73,;-.1,-5.5,;1.23,-4.73,;2.56,-5.5,;3.9,-4.73,;3.9,-3.19,;5.23,-2.42,;5.23,-.88,;6.57,-3.19,;7.34,-4.52,;8.11,-3.19,;2.56,-2.42,;2.56,-.88,;1.48,.21,;-.01,-.19,;-1.1,.9,;-.7,2.39,;.78,2.79,;1.87,1.7,;-1.79,3.48,;-1.77,5.02,;-3.24,5.5,;-4.14,4.25,;-3.24,3,;1.23,-3.19,;-.1,-2.42,)|
Structure:
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