BDBM177273 US9120749, 639

SMILES: COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(NC3CCC(C)(N)CC3)c2c1

InChI Key: InChIKey=CRCQOKRLMDGRCC-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 = 177273   

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))	BDBM177273 (US9120749, 639) Show SMILES COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(NC3CCC(C)(N)CC3)c2c1 |(-8.11,-1.61,;-6.77,-2.38,;-5.44,-1.61,;-4.1,-2.38,;-2.77,-1.61,;-2.77,-.07,;-4.1,.7,;-4.1,2.24,;-5.44,-.07,;-6.77,.7,;-1.44,-2.38,;-1.44,-3.92,;-.1,-4.69,;1.23,-3.92,;2.56,-4.69,;3.9,-3.92,;3.9,-2.38,;5.23,-1.61,;5.23,-.07,;6.57,-2.38,;7.34,-3.71,;8.11,-2.38,;2.56,-1.61,;2.56,-.07,;1.48,1.02,;1.87,2.51,;.78,3.6,;-.7,3.2,;-2.19,3.6,;-1.1,4.69,;-1.1,1.71,;-.01,.62,;1.23,-2.38,;-.1,-1.61,)| Show InChI InChI=1S/C27H30ClN3O3/c1-27(29)9-7-18(8-10-27)31-24-19-11-16(17-12-21(28)26(33)23(13-17)34-2)5-6-22(19)30-14-20(24)25(32)15-3-4-15/h5-6,11-15,18,33H,3-4,7-10,29H2,1-2H3,(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.20	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
					More data for this Ligand-Target Pair