BDBM177349 US9120749, 715::US9120749, 716

SMILES: CCC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](CN(C)C)CC1)-c1cc(Cl)c(O)c(Cl)c1

InChI Key: InChIKey=TTXYXNAGFDQSJT-RUCARUNLSA-N

Data: 2 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 2 hits for monomerid = 177349   

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))	BDBM177349 (US9120749, 715 | US9120749, 716) Show SMILES CCC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](CN(C)C)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:18.20,wD:15.16,(7.34,-1.92,;6,-2.69,;4.67,-1.93,;4.67,-.38,;3.33,-2.7,;3.33,-4.24,;2,-5.01,;.67,-4.24,;-.67,-5.01,;-2,-4.24,;-2,-2.7,;-.67,-1.93,;.67,-2.7,;2,-1.93,;2,-.39,;.67,.38,;.67,1.92,;-.67,2.69,;-2,1.92,;-3.33,2.69,;-3.33,4.23,;-4.67,5,;-2,5.01,;-2,.38,;-.67,-.38,;-3.33,-1.93,;-3.33,-.39,;-4.67,.38,;-4.67,1.92,;-6,-.39,;-7.34,.38,;-6,-1.93,;-7.34,-2.7,;-4.67,-2.7,)| Show InChI InChI=1S/C27H31Cl2N3O2/c1-4-25(33)21-14-30-24-10-7-17(18-12-22(28)27(34)23(29)13-18)11-20(24)26(21)31-19-8-5-16(6-9-19)15-32(2)3/h7,10-14,16,19,34H,4-6,8-9,15H2,1-3H3,(H,30,31)/t16-,19-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.60	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
Maternal embryonic leucine zipper kinase (MELK) (Homo sapiens (Human))	BDBM177349 (US9120749, 715 | US9120749, 716) Show SMILES CCC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](CN(C)C)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:18.20,wD:15.16,(7.34,-1.92,;6,-2.69,;4.67,-1.93,;4.67,-.38,;3.33,-2.7,;3.33,-4.24,;2,-5.01,;.67,-4.24,;-.67,-5.01,;-2,-4.24,;-2,-2.7,;-.67,-1.93,;.67,-2.7,;2,-1.93,;2,-.39,;.67,.38,;.67,1.92,;-.67,2.69,;-2,1.92,;-3.33,2.69,;-3.33,4.23,;-4.67,5,;-2,5.01,;-2,.38,;-.67,-.38,;-3.33,-1.93,;-3.33,-.39,;-4.67,.38,;-4.67,1.92,;-6,-.39,;-7.34,.38,;-6,-1.93,;-7.34,-2.7,;-4.67,-2.7,)| Show InChI InChI=1S/C27H31Cl2N3O2/c1-4-25(33)21-14-30-24-10-7-17(18-12-22(28)27(34)23(29)13-18)11-20(24)26(21)31-19-8-5-16(6-9-19)15-32(2)3/h7,10-14,16,19,34H,4-6,8-9,15H2,1-3H3,(H,30,31)/t16-,19-	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