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SMILES: COc1cc(cc(Cl)c1O)-c1ccc2ncc(c(N[C@H]3CC[C@H](CN(C)C)CC3)c2n1)S(C)(=O)=O

InChI Key: InChIKey=AAIDWUHMUZVSCG-JCNLHEQBSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 166071   

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))	BDBM166071 (US9067937, 14) Show SMILES COc1cc(cc(Cl)c1O)-c1ccc2ncc(c(N[C@H]3CC[C@H](CN(C)C)CC3)c2n1)S(C)(=O)=O |r,wU:19.19,wD:22.23,(-7.34,-1.93,;-6,-2.69,;-4.67,-1.93,;-3.33,-2.69,;-2,-1.93,;-2,-.38,;-3.33,.38,;-3.33,1.93,;-4.67,-.38,;-6,.38,;-.67,-2.69,;-.67,-4.23,;.67,-5,;2,-4.23,;3.33,-5,;4.67,-4.23,;4.67,-2.69,;3.33,-1.93,;3.33,-.38,;2,.38,;.67,-.38,;-.67,.38,;-.67,1.93,;-2,2.69,;-2,4.23,;-3.33,5,;-.67,5,;.67,2.69,;2,1.93,;2,-2.69,;.67,-1.93,;6,-1.93,;7.34,-2.69,;6.77,-.59,;5.23,-.59,)| Show InChI InChI=1S/C25H31ClN4O4S/c1-30(2)14-15-5-7-17(8-6-15)28-24-22(35(4,32)33)13-27-20-10-9-19(29-23(20)24)16-11-18(26)25(31)21(12-16)34-3/h9-13,15,17,31H,5-8,14H2,1-4H3,(H,27,28)/t15-,17-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.900	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