Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 556.0 BDBM177522

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))	BDBM177522 (US9120749, 889) Show SMILES CN(C)C1CCN(C1)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)S(C)(=O)=O)cn1 Show InChI InChI=1S/C27H27ClFN5O3S/c1-33(2)19-8-9-34(15-19)25-7-5-18(13-31-25)32-26-20-10-16(17-11-21(28)27(35)22(29)12-17)4-6-23(20)30-14-24(26)38(3,36)37/h4-7,10-14,19,35H,8-9,15H2,1-3H3,(H,30,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.20	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
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