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SMILES: CC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](N)CC1)-c1cc(F)c(O)c(Cl)c1

InChI Key: InChIKey=GCYKUDIQQLYCKN-HDJSIYSDSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 166123   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))
BDBM166123
PNG
(US9067937, 67)
Show SMILES CC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](N)CC1)-c1cc(F)c(O)c(Cl)c1 |r,wU:17.19,wD:14.15,(6.67,-1.71,;5.33,-.94,;5.33,.6,;4,-1.71,;4,-3.25,;2.67,-4.02,;1.33,-3.25,;,-4.02,;-1.33,-3.25,;-1.33,-1.71,;,-.94,;1.33,-1.71,;2.67,-.94,;2.67,.94,;1.33,1.71,;1.33,3.25,;,4.02,;-1.33,3.25,;-2.67,4.02,;-1.33,1.71,;,.94,;-2.67,-.94,;-4,-1.71,;-5.33,-.94,;-6.67,-1.71,;-5.33,.6,;-6.67,1.37,;-4,1.37,;-4,2.91,;-2.67,.6,)|
Show InChI InChI=1S/C22H22ClFN4O2/c1-11(29)15-10-26-19-7-6-18(12-8-16(23)22(30)17(24)9-12)28-21(19)20(15)27-14-4-2-13(25)3-5-14/h6-10,13-14,30H,2-5,25H2,1H3,(H,26,27)/t13-,14-
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Similars

US Patent
n/an/a 1.20n/an/an/an/a7.425



OncoTherapy Science, Inc.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...


US Patent US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair