Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 471.9 BDBM177189

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))	BDBM177189 (US9120749, 555) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1c(cnc2c(F)cc(cc12)-c1cc(F)c(O)c(Cl)c1)C(=O)C1CC1 |r,wU:4.7,wD:1.0,(-2.46,5.26,;-1.37,4.17,;-1.77,2.68,;-.68,1.59,;.81,1.99,;1.21,3.48,;.12,4.57,;1.9,.9,;1.9,-.64,;3.23,-1.41,;3.23,-2.95,;1.9,-3.72,;.56,-2.95,;-.77,-3.72,;-.77,-5.26,;-2.1,-2.95,;-2.1,-1.41,;-.77,-.64,;.56,-1.41,;-3.44,-.64,;-4.77,-1.41,;-6.1,-.64,;-7.44,-1.41,;-6.1,.9,;-7.44,1.67,;-4.77,1.67,;-4.77,3.21,;-3.44,.9,;4.56,-.64,;4.56,.9,;5.9,-1.41,;6.67,-2.74,;7.44,-1.41,)| Show InChI InChI=1S/C25H24ClF2N3O2/c26-19-8-14(10-21(28)25(19)33)13-7-17-22(31-16-5-3-15(29)4-6-16)18(24(32)12-1-2-12)11-30-23(17)20(27)9-13/h7-12,15-16,33H,1-6,29H2,(H,30,31)/t15-,16-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.10E+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