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SMILES: CN1CCN(C[C@H]2CC[C@@H](CC2)Nc2c(cnc3ccc(nc23)-c2cc(Cl)c(O)c(Cl)c2)C(C)=O)CC1

InChI Key: InChIKey=KDIZAFIVAVMWEY-KESTWPANSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 166119   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM166119 (US9067937, 63) Show SMILES CN1CCN(C[C@H]2CC[C@@H](CC2)Nc2c(cnc3ccc(nc23)-c2cc(Cl)c(O)c(Cl)c2)C(C)=O)CC1 |r,wU:6.5,wD:9.12,(-2.67,6.93,;-2.67,5.39,;-1.33,4.62,;-1.33,3.08,;-2.67,2.31,;-2.67,.77,;-1.33,,;,.77,;1.33,,;1.33,-1.54,;,-2.31,;-1.33,-1.54,;2.67,-2.31,;2.67,-3.85,;4,-4.62,;4,-6.16,;2.67,-6.93,;1.33,-6.16,;,-6.93,;-1.33,-6.16,;-1.33,-4.62,;,-3.85,;1.33,-4.62,;-2.67,-3.85,;-2.67,-2.31,;-4,-1.54,;-4,,;-5.33,-2.31,;-6.67,-1.54,;-5.33,-3.85,;-6.67,-4.62,;-4,-4.62,;5.33,-3.85,;6.67,-4.62,;5.33,-2.31,;-4,3.08,;-4,4.62,)| Show InChI InChI=1S/C28H33Cl2N5O2/c1-17(36)21-15-31-25-8-7-24(19-13-22(29)28(37)23(30)14-19)33-27(25)26(21)32-20-5-3-18(4-6-20)16-35-11-9-34(2)10-12-35/h7-8,13-15,18,20,37H,3-6,9-12,16H2,1-2H3,(H,31,32)/t18-,20-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	7.4	25
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