BDBM177441 US9120749, 807

SMILES: CNC1CCCN(C1)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cn1

InChI Key: InChIKey=QCDDZWGONJIQDE-UHFFFAOYSA-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 = 177441   

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))	BDBM177441 (US9120749, 807) Show SMILES CNC1CCCN(C1)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cn1 Show InChI InChI=1S/C30H29Cl2N5O2/c1-33-21-3-2-10-37(16-21)27-9-7-20(14-35-27)36-28-22-11-18(19-12-24(31)30(39)25(32)13-19)6-8-26(22)34-15-23(28)29(38)17-4-5-17/h6-9,11-15,17,21,33,39H,2-5,10,16H2,1H3,(H,34,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.5	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