BDBM177151 US9120749, 517

SMILES: CN[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(OC)c1)C(=O)C1CC1

InChI Key: InChIKey=DVXZQKOCJUVOQE-WGSAOQKQSA-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 = 177151   

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 (Homo sapiens (Human))	BDBM177151 (US9120749, 517) Show SMILES CN[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(OC)c1)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,;-2.77,-.64,;-4.1,.13,;-4.1,1.67,;-5.44,-.64,;-6.77,.13,;-5.44,-2.18,;-6.77,-2.95,;-8.11,-2.18,;-4.1,-2.95,;5.23,-2.18,;5.23,-.64,;6.57,-2.95,;7.34,-4.28,;8.11,-2.95,)| Show InChI InChI=1S/C27H30ClN3O3/c1-29-18-6-8-19(9-7-18)31-25-20-11-16(17-12-22(28)27(33)24(13-17)34-2)5-10-23(20)30-14-21(25)26(32)15-3-4-15/h5,10-15,18-19,29,33H,3-4,6-9H2,1-2H3,(H,30,31)/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
					More data for this Ligand-Target Pair