BDBM177401 US9120749, 767::US9120749, 768

SMILES: CC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](CN2CCCC2)CC1)-c1cc(Cl)c(O)c(Cl)c1

InChI Key: InChIKey=BZACNLCOLFMVGZ-XGAFWQRZSA-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 = 177401   

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))	BDBM177401 (US9120749, 767 | US9120749, 768) Show SMILES CC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](CN2CCCC2)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:14.15,wD:17.19,(6.67,-4.17,;5.33,-3.4,;5.33,-1.86,;4,-4.17,;4,-5.71,;2.67,-6.48,;1.33,-5.71,;,-6.48,;-1.33,-5.71,;-1.33,-4.17,;,-3.4,;1.33,-4.17,;2.67,-3.4,;2.67,-1.86,;1.58,-.77,;.09,-1.17,;-1,-.08,;-.6,1.41,;-1.69,2.5,;-1.29,3.99,;.17,4.46,;.17,6,;-1.29,6.48,;-2.2,5.23,;.89,1.81,;1.98,.72,;-2.67,-3.4,;-2.67,-1.86,;-4,-1.09,;-4,.45,;-5.33,-1.86,;-6.67,-1.09,;-5.33,-3.4,;-6.67,-4.17,;-4,-4.17,)| Show InChI InChI=1S/C28H31Cl2N3O2/c1-17(34)23-15-31-26-9-6-19(20-13-24(29)28(35)25(30)14-20)12-22(26)27(23)32-21-7-4-18(5-8-21)16-33-10-2-3-11-33/h6,9,12-15,18,21,35H,2-5,7-8,10-11,16H2,1H3,(H,31,32)/t18-,21-	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
Maternal embryonic leucine zipper kinase (MELK) (Homo sapiens (Human))	BDBM177401 (US9120749, 767 | US9120749, 768) Show SMILES CC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](CN2CCCC2)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:14.15,wD:17.19,(6.67,-4.17,;5.33,-3.4,;5.33,-1.86,;4,-4.17,;4,-5.71,;2.67,-6.48,;1.33,-5.71,;,-6.48,;-1.33,-5.71,;-1.33,-4.17,;,-3.4,;1.33,-4.17,;2.67,-3.4,;2.67,-1.86,;1.58,-.77,;.09,-1.17,;-1,-.08,;-.6,1.41,;-1.69,2.5,;-1.29,3.99,;.17,4.46,;.17,6,;-1.29,6.48,;-2.2,5.23,;.89,1.81,;1.98,.72,;-2.67,-3.4,;-2.67,-1.86,;-4,-1.09,;-4,.45,;-5.33,-1.86,;-6.67,-1.09,;-5.33,-3.4,;-6.67,-4.17,;-4,-4.17,)| Show InChI InChI=1S/C28H31Cl2N3O2/c1-17(34)23-15-31-26-9-6-19(20-13-24(29)28(35)25(30)14-20)12-22(26)27(23)32-21-7-4-18(5-8-21)16-33-10-2-3-11-33/h6,9,12-15,18,21,35H,2-5,7-8,10-11,16H2,1H3,(H,31,32)/t18-,21-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.80	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