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BDBM166155 US9067937, 203

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

InChI Key: InChIKey=HPFAWTWSLSXCBD-SHTZXODSSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 166155   
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 (MELK)


(Homo sapiens (Human))		BDBM166155
PNG
(US9067937, 203)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(Cl)c(O)c(Cl)c1)C(=O)CO |r,wU:6.9,wD:3.2,(-3.84,3.35,;-2.36,3.74,;-1.96,5.23,;-1.27,2.66,;-1.66,1.17,;-.58,.08,;.91,.48,;1.31,1.96,;.22,3.05,;2,-.61,;2,-2.15,;3.33,-2.92,;3.33,-4.46,;2,-5.23,;.67,-4.46,;-.67,-5.23,;-2,-4.46,;-2,-2.92,;-.67,-2.15,;.67,-2.92,;-3.33,-2.15,;-4.67,-2.92,;-6,-2.15,;-7.34,-2.92,;-6,-.61,;-7.34,.16,;-4.67,.16,;-4.67,1.7,;-3.33,-.61,;4.67,-2.15,;4.67,-.61,;6,-2.92,;7.34,-2.15,)|
Show InChI InChI=1S/C24H26Cl2N4O3/c1-30(2)15-5-3-14(4-6-15)28-22-16(21(32)12-31)11-27-20-8-7-19(29-23(20)22)13-9-17(25)24(33)18(26)10-13/h7-11,14-15,31,33H,3-6,12H2,1-2H3,(H,27,28)/t14-,15-
PDB

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Similars
US Patent
n/an/a 1.5n/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