Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 500.4 BDBM177491

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM177491 (US9120749, 857) Show SMILES CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2cc(C)c(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:7.10,wD:4.3,(-2.38,5.76,;-1.29,4.68,;.2,5.07,;-1.69,3.19,;-.6,2.1,;-1,.61,;.09,-.48,;1.58,-.08,;1.98,1.41,;.89,2.5,;2.67,-1.17,;2.67,-2.68,;4,-3.45,;4,-4.99,;2.67,-5.76,;1.33,-4.99,;,-5.76,;-1.33,-4.99,;-2.67,-5.76,;-1.33,-3.45,;,-2.68,;1.33,-3.45,;-2.67,-2.68,;-2.67,-1.14,;-4,-.37,;-4,.97,;-5.33,-1.14,;-6.67,-.37,;-5.33,-2.68,;-6.67,-3.45,;-4,-3.45,;5.33,-2.68,;6.67,-3.45,;5.33,-1.14,)| Show InChI InChI=1S/C27H31Cl2N3O2/c1-15-9-25-21(12-20(15)18-10-23(28)27(34)24(29)11-18)26(22(13-30-25)16(2)33)31-19-7-5-17(6-8-19)14-32(3)4/h9-13,17,19,34H,5-8,14H2,1-4H3,(H,30,31)/t17-,19-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.40E+3	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 US9120749 (2015) BindingDB Entry DOI: 10.7270/Q2FX7872
					More data for this Ligand-Target Pair