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SMILES: CN(CCO)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(F)c(O)c(Cl)c1)C(C)=O

InChI Key: InChIKey=XTPQNRFYDOFOHT-SAABIXHNSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 166105   
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))		BDBM166105
PNG
(US9067937, 49)
Show SMILES CN(CCO)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(F)c(O)c(Cl)c1)C(C)=O |r,wU:6.5,wD:9.12,(-4,5,;-2.67,4.23,;-1.33,5,;,4.23,;1.33,5,;-2.67,2.69,;-1.33,1.93,;,2.69,;1.33,1.93,;1.33,.38,;,-.38,;-1.33,.38,;2.67,-.38,;2.67,-1.93,;4,-2.69,;4,-4.23,;2.67,-5,;1.33,-4.23,;,-5,;-1.33,-4.23,;-1.33,-2.69,;,-1.93,;1.33,-2.69,;-2.67,-1.93,;-4,-2.69,;-5.33,-1.93,;-6.67,-2.69,;-5.33,-.38,;-6.67,.38,;-4,.38,;-4,1.93,;-2.67,-.38,;5.33,-1.93,;6.67,-2.69,;5.33,-.38,)|
Show InChI InChI=1S/C26H30ClFN4O3/c1-15(34)19-13-29-23-8-7-22(17-11-20(27)26(35)21(28)12-17)31-25(23)24(19)30-18-5-3-16(4-6-18)14-32(2)9-10-33/h7-8,11-13,16,18,33,35H,3-6,9-10,14H2,1-2H3,(H,29,30)/t16-,18-
PDB

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Similars
US Patent
n/an/a 1n/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