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BDBM166145 US9067937, 89

SMILES: CN(C)[C@H]1CC[C@H](CNc2c(cnc3ccc(nc23)-c2cc(Cl)c(O)c(Cl)c2)C(C)=O)CC1

InChI Key: InChIKey=CMMOKOQGZRAKGS-JCNLHEQBSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 166145   
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))		BDBM166145
PNG
(US9067937, 89)
Show SMILES CN(C)[C@H]1CC[C@H](CNc2c(cnc3ccc(nc23)-c2cc(Cl)c(O)c(Cl)c2)C(C)=O)CC1 |r,wU:6.6,wD:3.2,(,6.16,;1.33,5.39,;2.67,6.16,;1.33,3.85,;,3.08,;,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;2.67,-3.08,;4,-3.85,;4,-5.39,;2.67,-6.16,;1.33,-5.39,;,-6.16,;-1.33,-5.39,;-1.33,-3.85,;,-3.08,;1.33,-3.85,;-2.67,-3.08,;-2.67,-1.54,;-4,-.77,;-4,.77,;-5.33,-1.54,;-6.67,-.77,;-5.33,-3.08,;-6.67,-3.85,;-4,-3.85,;5.33,-3.08,;6.67,-3.85,;5.33,-1.54,;2.67,1.54,;2.67,3.08,)|
Show InChI InChI=1S/C25H28Cl2N4O2/c1-14(32)18-13-28-22-9-8-21(16-10-19(26)25(33)20(27)11-16)30-24(22)23(18)29-12-15-4-6-17(7-5-15)31(2)3/h8-11,13,15,17,33H,4-7,12H2,1-3H3,(H,28,29)/t15-,17-
PDB

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UniChem

Similars
US Patent
n/an/a 0.600n/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