Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Maternal embryonic leucine zipper kinase' and Ligand = 'BDBM166131'   

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))	BDBM166131 (US9067937, 75) Show SMILES CC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@@H](CC1)NC(=O)[C@@H]1CCCN1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:17.22,23.25,wD:14.15,(6.67,-3.79,;5.33,-3.02,;5.33,-1.48,;4,-3.79,;4,-5.33,;2.67,-6.1,;1.33,-5.33,;,-6.1,;-1.33,-5.33,;-1.33,-3.79,;,-3.02,;1.33,-3.79,;2.67,-3.02,;2.67,-1.31,;1.33,-.54,;1.33,1,;,1.77,;-1.33,1,;-1.33,-.54,;,-1.31,;-2.67,1.77,;-2.67,3.31,;-4,4.08,;-1.33,4.08,;.13,3.61,;1.04,4.85,;.13,6.1,;-1.33,5.62,;-2.67,-3.02,;-2.67,-1.48,;-4,-.71,;-4,.83,;-5.33,-1.48,;-6.67,-.71,;-5.33,-3.02,;-6.67,-3.79,;-4,-3.79,)| Show InChI InChI=1S/C27H29Cl2N5O3/c1-14(35)18-13-31-22-9-8-21(15-11-19(28)26(36)20(29)12-15)34-25(22)24(18)32-16-4-6-17(7-5-16)33-27(37)23-3-2-10-30-23/h8-9,11-13,16-17,23,30,36H,2-7,10H2,1H3,(H,31,32)(H,33,37)/t16-,17-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	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 US9067937 (2015) BindingDB Entry DOI: 10.7270/Q2BR8QX4
					More data for this Ligand-Target Pair