BDBM177451 US9120749, 817

SMILES: CCN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O

InChI Key: InChIKey=ZUASHZYIOMWUQG-IRJFHVNHSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 177451   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Maternal embryonic leucine zipper kinase (MELK) (Homo sapiens (Human))	BDBM177451 (US9120749, 817) Show SMILES CCN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:5.4,wD:8.11,(-2.15,6.52,;-2.55,5.03,;-1.46,3.94,;.03,4.34,;-1.86,2.46,;-.77,1.37,;.72,1.77,;1.81,.68,;1.41,-.81,;-.08,-1.21,;-1.17,-.12,;2.5,-1.9,;2.5,-3.44,;3.83,-4.21,;3.83,-5.75,;2.5,-6.52,;1.16,-5.75,;-.17,-6.52,;-1.5,-5.75,;-1.5,-4.21,;-.17,-3.44,;1.16,-4.21,;-2.84,-3.44,;-2.84,-1.9,;-4.17,-1.13,;-4.17,.41,;-5.5,-1.9,;-6.84,-1.13,;-5.5,-3.44,;-6.84,-4.21,;-4.17,-4.21,;5.16,-3.44,;6.5,-4.21,;5.16,-1.9,)| Show InChI InChI=1S/C27H31Cl2N3O2/c1-4-32(3)15-17-5-8-20(9-6-17)31-26-21-11-18(19-12-23(28)27(34)24(29)13-19)7-10-25(21)30-14-22(26)16(2)33/h7,10-14,17,20,34H,4-6,8-9,15H2,1-3H3,(H,30,31)/t17-,20-	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
					More data for this Ligand-Target Pair