Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 453.5 BDBM166133

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))	BDBM166133 (US9067937, 77) Show SMILES CC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](CN2CCC(O)C2)CC1)N1CCC(O)C1 |r,wU:14.15,wD:17.19,(5.85,-4.31,;4.52,-3.54,;4.52,-2,;3.19,-4.31,;3.19,-5.85,;1.85,-6.62,;.52,-5.85,;-.82,-6.62,;-2.15,-5.85,;-2.15,-4.31,;-.82,-3.54,;.52,-4.31,;1.85,-3.54,;1.85,-2,;.76,-.92,;-.72,-1.31,;-1.81,-.23,;-1.42,1.26,;-2.5,2.35,;-2.11,3.84,;-3.01,5.08,;-2.11,6.33,;-.64,5.85,;.69,6.62,;-.64,4.31,;.07,1.66,;1.16,.57,;-3.48,-3.54,;-4.95,-4.02,;-5.85,-2.77,;-4.95,-1.53,;-5.72,-.2,;-3.48,-2,)| Show InChI InChI=1S/C25H35N5O3/c1-16(31)21-12-26-22-6-7-23(30-11-9-20(33)15-30)28-25(22)24(21)27-18-4-2-17(3-5-18)13-29-10-8-19(32)14-29/h6-7,12,17-20,32-33H,2-5,8-11,13-15H2,1H3,(H,26,27)/t17-,18-,19?,20?	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	740	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