Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 529.4 BDBM177510

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))	BDBM177510 (US9120749, 877) Show SMILES CN(C)CC(=O)N[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:10.13,wD:7.6,(.41,5.63,;-1.08,5.23,;-2.16,6.32,;-1.47,3.74,;-2.81,2.97,;-4.14,3.74,;-2.81,1.43,;-1.47,.66,;-1.47,-.88,;-.14,-1.65,;1.19,-.88,;1.19,.66,;-.14,1.43,;2.53,-1.65,;2.53,-3.19,;3.86,-3.96,;3.86,-5.5,;2.53,-6.27,;1.19,-5.5,;-.14,-6.27,;-1.47,-5.5,;-1.47,-3.96,;-.14,-3.19,;1.19,-3.96,;-2.81,-3.19,;-2.81,-1.65,;-4.14,-.88,;-4.14,.47,;-5.48,-1.65,;-6.81,-.88,;-5.48,-3.19,;-6.81,-3.96,;-4.14,-3.96,;5.19,-3.19,;6.53,-3.96,;5.19,-1.65,)| Show InChI InChI=1S/C27H30Cl2N4O3/c1-15(34)21-13-30-24-9-4-16(17-11-22(28)27(36)23(29)12-17)10-20(24)26(21)32-19-7-5-18(6-8-19)31-25(35)14-33(2)3/h4,9-13,18-19,36H,5-8,14H2,1-3H3,(H,30,32)(H,31,35)/t18-,19-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.70	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