Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Maternal embryonic leucine zipper kinase' and Ligand = 'BDBM177156'   

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))	BDBM177156 (US9120749, 522) Show SMILES CN[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cnc(nc1)C#N)C(=O)C1CC1 |r,wU:2.1,wD:5.8,(-1.79,5.26,;-1.79,3.72,;-.7,2.63,;.78,3.03,;1.87,1.94,;1.48,.45,;-.01,.05,;-1.1,1.14,;2.56,-.64,;2.56,-2.18,;3.9,-2.95,;3.9,-4.49,;2.56,-5.26,;1.23,-4.49,;-.1,-5.26,;-1.44,-4.49,;-1.44,-2.95,;-.1,-2.18,;1.23,-2.95,;-2.77,-2.18,;-4.1,-2.95,;-5.44,-2.18,;-5.44,-.64,;-4.1,.13,;-2.77,-.64,;-6.77,.13,;-8.11,.9,;5.23,-2.18,;5.23,-.64,;6.57,-2.95,;7.34,-4.28,;8.11,-2.95,)| Show InChI InChI=1S/C25H26N6O/c1-27-18-5-7-19(8-6-18)31-24-20-10-16(17-12-29-23(11-26)30-13-17)4-9-22(20)28-14-21(24)25(32)15-2-3-15/h4,9-10,12-15,18-19,27H,2-3,5-8H2,1H3,(H,28,31)/t18-,19-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.40	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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