Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 543.4 BDBM177548

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))	BDBM177548 (US9120749, 915) Show SMILES CC(C)C(N)C(=O)N[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:11.14,wD:8.7,(-6.9,4.24,;-5.56,3.47,;-5.56,1.93,;-4.23,4.23,;-4.23,5.78,;-2.9,3.47,;-1.56,4.24,;-2.9,1.93,;-1.56,1.15,;-1.56,-.38,;-.23,-1.15,;1.1,-.38,;1.1,1.15,;-.23,1.93,;2.44,-1.15,;2.44,-2.69,;3.77,-3.47,;3.77,-5,;2.44,-5.78,;1.1,-5,;-.23,-5.78,;-1.56,-5,;-1.56,-3.47,;-.23,-2.69,;1.1,-3.47,;-2.9,-2.69,;-4.23,-3.47,;-5.56,-2.69,;-6.9,-3.47,;-5.56,-1.15,;-6.9,-.38,;-4.23,-.38,;-4.23,1.15,;-2.9,-1.15,;5.1,-2.69,;6.44,-3.46,;5.1,-1.15,)| Show InChI InChI=1S/C28H32Cl2N4O3/c1-14(2)25(31)28(37)34-19-7-5-18(6-8-19)33-26-20-10-16(17-11-22(29)27(36)23(30)12-17)4-9-24(20)32-13-21(26)15(3)35/h4,9-14,18-19,25,36H,5-8,31H2,1-3H3,(H,32,33)(H,34,37)/t18-,19-,25?	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.10	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